smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc2sccc2c(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)n1 ZINC000328614607 203761742 /nfs/dbraw/zinc/76/17/42/203761742.db2.gz WHFGVEGDOCDBPL-YVEFUNNKSA-N 0 0 384.509 2.927 10 0 GFAERN CN(C)C(=O)n1c(Br)nc(Br)c1Br ZINC000005115275 203825033 /nfs/dbraw/zinc/82/50/33/203825033.db2.gz MQECOKJOKJUMII-UHFFFAOYSA-N 0 0 375.846 2.700 10 0 GFAERN CCOc1ccc(NC(=O)NC(=O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001509703 203912692 /nfs/dbraw/zinc/91/26/92/203912692.db2.gz IZUKFUWGPHREFU-UHFFFAOYSA-N 0 0 391.449 2.956 10 0 GFAERN CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)CC1 ZINC000006050590 204163098 /nfs/dbraw/zinc/16/30/98/204163098.db2.gz XXXBDCURTDKSEE-IBGZPJMESA-N 0 0 397.585 2.682 10 0 GFAERN CCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1 ZINC000005591434 204141984 /nfs/dbraw/zinc/14/19/84/204141984.db2.gz ZZWXBDNSQKOCDH-OAHLLOKOSA-N 0 0 389.839 2.815 10 0 GFAERN CCOc1cc(/C=C2/NC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(F)F ZINC000008254314 204267807 /nfs/dbraw/zinc/26/78/07/204267807.db2.gz RTCJSWONFHYOIY-OXBCTQFSSA-N 0 0 398.431 2.923 10 0 GFAERN O=C(CSc1ccccn1)N1CCc2ccc(NC(=O)[C@H]3CCCO3)cc2C1 ZINC000011665111 204348704 /nfs/dbraw/zinc/34/87/04/204348704.db2.gz NTDPWQOSVVYYRU-GOSISDBHSA-N 0 0 397.500 2.876 10 0 GFAERN CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NC1CCCCCC1 ZINC000011842405 204357600 /nfs/dbraw/zinc/35/76/00/204357600.db2.gz PTUYWAAUBYDLGI-IBGZPJMESA-N 0 0 387.524 2.615 10 0 GFAERN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000012021536 204367169 /nfs/dbraw/zinc/36/71/69/204367169.db2.gz XLUNXSKBINLDFJ-ZIAGYGMSSA-N 0 0 384.457 2.591 10 0 GFAERN Cc1cc2c(cc1S(=O)(=O)N1CCCC[C@H]1c1cccnc1)OCC(=O)N2 ZINC000020491741 204722195 /nfs/dbraw/zinc/72/21/95/204722195.db2.gz BIYNXAXDPAWRLQ-INIZCTEOSA-N 0 0 387.461 2.637 10 0 GFAERN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)n1ncn2c3ccoc3cc2c1=O ZINC000020863468 204742316 /nfs/dbraw/zinc/74/23/16/204742316.db2.gz UKNFWBIXFRMTMA-CABCVRRESA-N 0 0 378.432 2.941 10 0 GFAERN Cc1cc(C)cc(S(=O)(=O)N2CCN(Cc3noc4ccccc43)CC2)c1 ZINC000033121419 204947643 /nfs/dbraw/zinc/94/76/43/204947643.db2.gz BVNJXORYWHVUQQ-UHFFFAOYSA-N 0 0 385.489 2.951 10 0 GFAERN CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036311029 205011847 /nfs/dbraw/zinc/01/18/47/205011847.db2.gz YWWLWKNOSQZPNG-QGZVFWFLSA-N 0 0 378.904 2.794 10 0 GFAERN COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2=O)cc1 ZINC000037520946 205027812 /nfs/dbraw/zinc/02/78/12/205027812.db2.gz KRARMEUCSYMQSN-ZDUSSCGKSA-N 0 0 394.880 2.775 10 0 GFAERN COc1ccccc1Cn1c(C(=O)NCCN2CCOCC2)cc2sccc21 ZINC000037541846 205028722 /nfs/dbraw/zinc/02/87/22/205028722.db2.gz USQHRQPGWUXXLO-UHFFFAOYSA-N 0 0 399.516 2.822 10 0 GFAERN COC(=O)[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC[C@H](O)C1 ZINC000039795860 205044249 /nfs/dbraw/zinc/04/42/49/205044249.db2.gz FZENGCHVMVPETO-RCDICMHDSA-N 0 0 381.428 2.982 10 0 GFAERN COc1ccc(/C=c2/sc3nc(/C=C/c4cccs4)nn3c2=O)c(OC)c1 ZINC000039835569 205044641 /nfs/dbraw/zinc/04/46/41/205044641.db2.gz QUKBYMAOAUCZMM-AOHBAUNCSA-N 0 0 397.481 2.948 10 0 GFAERN Cc1ccc(S(=O)(=O)NN=c2nc[nH]c(Nc3ccccc3C)c2N)cc1 ZINC000040781202 205072629 /nfs/dbraw/zinc/07/26/29/205072629.db2.gz GTZICFBFIZTEGH-UHFFFAOYSA-N 0 0 384.465 2.725 10 0 GFAERN O=C(Nc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)N1CCC2(CC1)OCCO2 ZINC000058012552 205163179 /nfs/dbraw/zinc/16/31/79/205163179.db2.gz VXNJRIQJFFZGHR-HXUWFJFHSA-N 0 0 396.443 2.934 10 0 GFAERN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)NCCN1CCOCC1 ZINC000065061094 205208508 /nfs/dbraw/zinc/20/85/08/205208508.db2.gz HMXHXJCBOAUSSX-UHFFFAOYSA-N 0 0 396.466 2.521 10 0 GFAERN CO[C@@H]1CCCN(C(=O)c2ccc3c(c2)CN(CCc2ccncc2)C3=O)C1 ZINC000072428694 205350743 /nfs/dbraw/zinc/35/07/43/205350743.db2.gz IGQXOEBSIORQJH-LJQANCHMSA-N 0 0 379.460 2.531 10 0 GFAERN CCCC(=O)OCC(COC(=O)CCC)OC(=O)c1ccccc1OC(C)=O ZINC000169336479 205828910 /nfs/dbraw/zinc/82/89/10/205828910.db2.gz LGZTWIPVBUVAAU-UHFFFAOYSA-N 0 0 394.420 2.824 10 0 GFAERN CC(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000027983837 206024953 /nfs/dbraw/zinc/02/49/53/206024953.db2.gz DHJOVQVUVRXSMR-OAHLLOKOSA-N 0 0 377.462 2.899 10 0 GFAERN Cc1nn(Cn2ccc(C(=O)Nc3ccc4c(c3)OCCO4)n2)c(C)c1Cl ZINC000028234631 206035926 /nfs/dbraw/zinc/03/59/26/206035926.db2.gz LTZSYJIYIDYIPU-UHFFFAOYSA-N 0 0 387.827 2.879 10 0 GFAERN CCOC(=O)c1c(NC(=O)C(=O)NCc2ccco2)sc2c1CCCC2 ZINC000028286444 206042524 /nfs/dbraw/zinc/04/25/24/206042524.db2.gz FAFMMYYVSLRSJE-UHFFFAOYSA-N 0 0 376.434 2.652 10 0 GFAERN COc1ccc(COC2CN(C(=O)c3cccc(OC)c3OC)C2)cc1F ZINC000064968569 206106138 /nfs/dbraw/zinc/10/61/38/206106138.db2.gz BSLMNCMIVLPEBP-UHFFFAOYSA-N 0 0 375.396 2.893 10 0 GFAERN CCC(CC)C(=O)Nc1nnc(S(=O)(=O)N(CC)Cc2ccco2)s1 ZINC000041085519 206195370 /nfs/dbraw/zinc/19/53/70/206195370.db2.gz KVUCMNKZZFERCQ-UHFFFAOYSA-N 0 0 386.499 2.717 10 0 GFAERN CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3CC)c2)CC1 ZINC000008609408 221046474 /nfs/dbraw/zinc/04/64/74/221046474.db2.gz QQFCUIQVAREYQX-HNNXBMFYSA-N 0 0 391.537 2.977 10 0 GFAERN O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(c1ncnc3sccc31)CC2 ZINC000091872207 136177306 /nfs/dbraw/zinc/17/73/06/136177306.db2.gz NSJYFDVVPPFEQE-UHFFFAOYSA-N 0 0 394.504 2.705 10 0 GFAERN C[NH+](C)CCn1ccnc1C1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000095505335 136180210 /nfs/dbraw/zinc/18/02/10/136180210.db2.gz ZSQNSONQSDZQGV-UHFFFAOYSA-N 0 0 377.876 2.575 10 0 GFAERN COc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)c(C)c1C ZINC000224213944 136206456 /nfs/dbraw/zinc/20/64/56/136206456.db2.gz UBAHQYSHUYSREA-UHFFFAOYSA-N 0 0 390.509 2.571 10 0 GFAERN COc1ccc(Cl)cc1NC(=O)NCc1cc(C)nc(N2CCOCC2)n1 ZINC000224228188 136206599 /nfs/dbraw/zinc/20/65/99/136206599.db2.gz KKMLZQRCRXHZRO-UHFFFAOYSA-N 0 0 391.859 2.605 10 0 GFAERN Cc1ccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000036213447 221848261 /nfs/dbraw/zinc/84/82/61/221848261.db2.gz NZOOQZDACHXJBL-FQEVSTJZSA-N 0 0 399.535 2.610 10 0 GFAERN CCOCC(=O)Nc1nn(-c2cccc(F)c2)c2cccc(N3CCOCC3)c21 ZINC000072479403 535422140 /nfs/dbraw/zinc/42/21/40/535422140.db2.gz AVIKPFKSXSFJEG-UHFFFAOYSA-N 0 0 398.438 2.976 10 0 GFAERN C[C@@H](NC(=O)c1cccc(OCC(N)=O)c1)c1cccc(Br)c1 ZINC000030463803 551127888 /nfs/dbraw/zinc/12/78/88/551127888.db2.gz SSGPWWCPQOVUOR-LLVKDONJSA-N 0 0 377.238 2.804 10 0 GFAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000042953820 551140159 /nfs/dbraw/zinc/14/01/59/551140159.db2.gz PHLZDAHIHZNFFP-GFCCVEGCSA-N 0 0 381.885 2.890 10 0 GFAERN C[C@@H](NC(=O)CCOc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000046571185 551151150 /nfs/dbraw/zinc/15/11/50/551151150.db2.gz HMANMJRUYXGAOX-GFCCVEGCSA-N 0 0 382.869 2.634 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cc(F)ccc1Br ZINC000119425617 551216315 /nfs/dbraw/zinc/21/63/15/551216315.db2.gz GKKSQKQULNAZQH-ZDUSSCGKSA-N 0 0 381.249 2.936 10 0 GFAERN Brc1cc(CN2CC[C@H](N3CCOCC3)C2)cc2c1OCCCO2 ZINC000120957408 551223949 /nfs/dbraw/zinc/22/39/49/551223949.db2.gz FKSFIZSEBODRPI-HNNXBMFYSA-N 0 0 397.313 2.517 10 0 GFAERN Cc1cc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)ccc1Br ZINC000121757718 551241992 /nfs/dbraw/zinc/24/19/92/551241992.db2.gz VPZKRPMYBHBIDQ-NSHDSACASA-N 0 0 399.314 2.725 10 0 GFAERN C[C@@H](NC(=O)NCC1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000121780644 551242774 /nfs/dbraw/zinc/24/27/74/551242774.db2.gz MLZUSMFTUDMXDA-LLVKDONJSA-N 0 0 389.315 2.634 10 0 GFAERN Cc1cnn(C[C@@H]2CN(Cc3cnc4ccc(Br)cn34)CCO2)c1 ZINC000122359596 551297256 /nfs/dbraw/zinc/29/72/56/551297256.db2.gz AQXQXXCGBQHWKS-INIZCTEOSA-N 0 0 390.285 2.503 10 0 GFAERN CS(=O)(=O)Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)o1 ZINC000128474115 551349463 /nfs/dbraw/zinc/34/94/63/551349463.db2.gz KKGCAQNXNMGRID-CQSZACIVSA-N 0 0 375.368 2.728 10 0 GFAERN O=C(Cc1cc(Br)ccc1F)N[C@H]1CCCN(c2cccnn2)C1 ZINC000134080326 551384934 /nfs/dbraw/zinc/38/49/34/551384934.db2.gz OCIBEHJSYWSGJW-AWEZNQCLSA-N 0 0 393.260 2.706 10 0 GFAERN O=C(Cc1ccccc1I)N1CCC(c2cc[nH]n2)CC1 ZINC000151663684 551419062 /nfs/dbraw/zinc/41/90/62/551419062.db2.gz ZKNKGUMFGKVHKY-UHFFFAOYSA-N 0 0 395.244 2.963 10 0 GFAERN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)N[C@H]2C[C@H]2C)c1C ZINC000152229776 551429064 /nfs/dbraw/zinc/42/90/64/551429064.db2.gz UAZKIBQFGLTOGM-OTYXRUKQSA-N 0 0 391.269 2.715 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)[C@H](C)Cc2ccc(Br)cc2)n1 ZINC000152759707 551439619 /nfs/dbraw/zinc/43/96/19/551439619.db2.gz HNWXUDUPRAEBIB-ABAIWWIYSA-N 0 0 394.269 2.919 10 0 GFAERN O=S(=O)(c1sccc1Br)N1CCC(c2cc[nH]n2)CC1 ZINC000153226120 551448304 /nfs/dbraw/zinc/44/83/04/551448304.db2.gz LEAWOMDNRVCPBC-UHFFFAOYSA-N 0 0 376.301 2.802 10 0 GFAERN CCOc1cc(CN2CCC[C@@H](NC(C)=O)C2)cc(Br)c1OC ZINC000153886405 551462607 /nfs/dbraw/zinc/46/26/07/551462607.db2.gz NPKQOHQRGOYGQS-CQSZACIVSA-N 0 0 385.302 2.957 10 0 GFAERN O=C(CCNC(=O)NC[C@H]1CCCC[C@H]1O)Nc1ccc(Br)cc1 ZINC000153913567 551462972 /nfs/dbraw/zinc/46/29/72/551462972.db2.gz HORKUGGFNNARRA-IUODEOHRSA-N 0 0 398.301 2.628 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc(F)c(I)c3)C2)cn1 ZINC000155169686 551493489 /nfs/dbraw/zinc/49/34/89/551493489.db2.gz LMPQVMSYABQGEL-LLVKDONJSA-N 0 0 399.207 2.794 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(F)cc(Br)c1 ZINC000155439793 551499830 /nfs/dbraw/zinc/49/98/30/551499830.db2.gz OBNMLSPRAGTMEW-GFCCVEGCSA-N 0 0 383.221 2.591 10 0 GFAERN C[C@H](CNC(=O)N[C@@H](C)c1cccc(Br)c1)CN1CCOCC1 ZINC000156176358 551516471 /nfs/dbraw/zinc/51/64/71/551516471.db2.gz YLXGLBIHRPQGAM-KGLIPLIRSA-N 0 0 384.318 2.778 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000157069873 551532476 /nfs/dbraw/zinc/53/24/76/551532476.db2.gz KXZSOJYIVDZHMJ-JTQLQIEISA-N 0 0 375.281 2.961 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)C1 ZINC000157765235 551542113 /nfs/dbraw/zinc/54/21/13/551542113.db2.gz RPLHJEMLPWJRJX-GXTWGEPZSA-N 0 0 383.286 2.975 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000158576521 551553772 /nfs/dbraw/zinc/55/37/72/551553772.db2.gz XDRIMQDFUMGVRG-NOZJJQNGSA-N 0 0 378.778 2.965 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000158570343 551554060 /nfs/dbraw/zinc/55/40/60/551554060.db2.gz YWMJKZSZTGAEPW-ZANVPECISA-N 0 0 378.778 2.965 10 0 GFAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)no1 ZINC000158867470 551558030 /nfs/dbraw/zinc/55/80/30/551558030.db2.gz RJJANYUQMJMUTA-SNVBAGLBSA-N 0 0 391.280 2.723 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000159027201 551559667 /nfs/dbraw/zinc/55/96/67/551559667.db2.gz HLMGMJGLDQUBCT-DZGCQCFKSA-N 0 0 393.285 2.942 10 0 GFAERN Cc1noc([C@H]2COCCN2Cc2nc3cc(Br)ccc3[nH]2)n1 ZINC000161727481 551597789 /nfs/dbraw/zinc/59/77/89/551597789.db2.gz WAHSFLXJVSRVCP-CYBMUJFWSA-N 0 0 378.230 2.590 10 0 GFAERN COC(=O)[C@H]1C[C@H]1C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC000170754974 551638634 /nfs/dbraw/zinc/63/86/34/551638634.db2.gz KOVKZGUZIQCVFY-OLZOCXBDSA-N 0 0 378.226 2.691 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000170823431 551640945 /nfs/dbraw/zinc/64/09/45/551640945.db2.gz KDDZBKSVKTWUDN-RCOVLWMOSA-N 0 0 376.048 2.675 10 0 GFAERN COc1cc(Cl)c(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1Cl ZINC000170939855 551643539 /nfs/dbraw/zinc/64/35/39/551643539.db2.gz AUSBXTGLZRXGPB-LLVKDONJSA-N 0 0 379.309 2.861 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000171049859 551645224 /nfs/dbraw/zinc/64/52/24/551645224.db2.gz FUDRNFPGKMBWKI-IONNQARKSA-N 0 0 384.255 2.818 10 0 GFAERN CN1CCO[C@@H](CNC(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000171143916 551648240 /nfs/dbraw/zinc/64/82/40/551648240.db2.gz UIRJKAZKYLQFOR-INIZCTEOSA-N 0 0 381.314 2.708 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(Br)cnc1Cl)CC2 ZINC000171299884 551651953 /nfs/dbraw/zinc/65/19/53/551651953.db2.gz WCLQMTOOHCLVDT-JTQLQIEISA-N 0 0 398.692 2.957 10 0 GFAERN Cc1csc([C@H]2CN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CCO2)n1 ZINC000171639040 551659696 /nfs/dbraw/zinc/65/96/96/551659696.db2.gz UKSXKTOTQSCRIW-CQSZACIVSA-N 0 0 376.869 2.915 10 0 GFAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CCC(Cn2cccn2)CC1 ZINC000172395172 551678489 /nfs/dbraw/zinc/67/84/89/551678489.db2.gz PWWZOJFPNCYZDA-UHFFFAOYSA-N 0 0 392.253 2.927 10 0 GFAERN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C)c1F ZINC000172992140 551691677 /nfs/dbraw/zinc/69/16/77/551691677.db2.gz GBBSVEQRPTVMOK-CYBMUJFWSA-N 0 0 385.482 2.886 10 0 GFAERN Cc1csc([C@H]2CCCN(C(=O)Nc3cccc(S(N)(=O)=O)c3)C2)n1 ZINC000173138202 552078570 /nfs/dbraw/zinc/07/85/70/552078570.db2.gz KIQDKSUBYPSFLP-LBPRGKRZSA-N 0 0 380.495 2.510 10 0 GFAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173257707 552081187 /nfs/dbraw/zinc/08/11/87/552081187.db2.gz JZMIJQIYDSUSQJ-AWEZNQCLSA-N 0 0 387.571 2.644 10 0 GFAERN Cc1c(Br)cccc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000173526831 552087218 /nfs/dbraw/zinc/08/72/18/552087218.db2.gz IVUCBCYQVPYGPC-ZDUSSCGKSA-N 0 0 375.270 2.946 10 0 GFAERN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000173644713 552089887 /nfs/dbraw/zinc/08/98/87/552089887.db2.gz PLKYTUUCAYBNER-NSHDSACASA-N 0 0 399.727 2.742 10 0 GFAERN Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC[C@H]3c3nccs3)ccc21 ZINC000175378702 552120425 /nfs/dbraw/zinc/12/04/25/552120425.db2.gz KCXCWPJKMJCYEO-ZDUSSCGKSA-N 0 0 379.463 2.504 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cc(F)ccc1Br ZINC000175701253 552127468 /nfs/dbraw/zinc/12/74/68/552127468.db2.gz OTQCERMPTVALMJ-ZDUSSCGKSA-N 0 0 382.237 2.822 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CCCC[C@H]1CO ZINC000175880760 552131418 /nfs/dbraw/zinc/13/14/18/552131418.db2.gz XJAYIKRIRZLKSK-WFASDCNBSA-N 0 0 398.301 2.546 10 0 GFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cc(N)nc(Cl)c1 ZINC000176538299 552141058 /nfs/dbraw/zinc/14/10/58/552141058.db2.gz GYVBEOSYDRCVEJ-ZDUSSCGKSA-N 0 0 380.901 2.524 10 0 GFAERN CNc1snc(C)c1C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000176562659 552141320 /nfs/dbraw/zinc/14/13/20/552141320.db2.gz SFEQHXQZAKKCKF-CYBMUJFWSA-N 0 0 380.539 2.666 10 0 GFAERN Ic1ccc2ncnc(N[C@@H]3CCCn4ncnc43)c2c1 ZINC000176854061 552147387 /nfs/dbraw/zinc/14/73/87/552147387.db2.gz JUVMUMDUPKYMEB-GFCCVEGCSA-N 0 0 392.204 2.773 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177707239 552157324 /nfs/dbraw/zinc/15/73/24/552157324.db2.gz MXGRSUMRQLHHNV-CZUORRHYSA-N 0 0 382.302 2.942 10 0 GFAERN O=C(c1ccncc1Br)N1CCN(c2nc3ccccc3o2)CC1 ZINC000178305132 552168637 /nfs/dbraw/zinc/16/86/37/552168637.db2.gz FLENGVITNMQNFQ-UHFFFAOYSA-N 0 0 387.237 2.948 10 0 GFAERN O=C(Nc1cncc(Br)c1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000179053844 552182891 /nfs/dbraw/zinc/18/28/91/552182891.db2.gz KBMIDNRYTYYQMG-ZDUSSCGKSA-N 0 0 396.266 2.884 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Cc1ccc(Br)c(F)c1)CC2 ZINC000179299172 552189335 /nfs/dbraw/zinc/18/93/35/552189335.db2.gz LZVDWGMLUWXLCQ-GFCCVEGCSA-N 0 0 395.276 2.977 10 0 GFAERN C[C@H](NC(=O)c1cc2sc(N(C)C)nc2s1)c1nnc2n1CCCC2 ZINC000179572878 552196479 /nfs/dbraw/zinc/19/64/79/552196479.db2.gz BOMQJEQRIWDADJ-VIFPVBQESA-N 0 0 376.511 2.843 10 0 GFAERN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000179840089 552204586 /nfs/dbraw/zinc/20/45/86/552204586.db2.gz BDLBLCLURBLXQN-CVEARBPZSA-N 0 0 384.263 2.541 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCS1 ZINC000179970595 552208035 /nfs/dbraw/zinc/20/80/35/552208035.db2.gz ZVCMXICHPWOUCI-ZETCQYMHSA-N 0 0 379.226 2.630 10 0 GFAERN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180031776 552210266 /nfs/dbraw/zinc/21/02/66/552210266.db2.gz YUUMSTSBQSPANL-WBMJQRKESA-N 0 0 383.279 2.947 10 0 GFAERN Cc1oc(-c2cccs2)nc1CS(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180050425 552210917 /nfs/dbraw/zinc/21/09/17/552210917.db2.gz GJNSSHTXQFIUGS-UHFFFAOYSA-N 0 0 378.479 2.832 10 0 GFAERN Cc1nnc([C@H]2CN(CC3=Cc4cc(Br)ccc4OC3)CCO2)[nH]1 ZINC000180115548 552213728 /nfs/dbraw/zinc/21/37/28/552213728.db2.gz MHNHPZQPPAVTMA-MRXNPFEDSA-N 0 0 391.269 2.725 10 0 GFAERN COC(=O)C1CCC(C(=O)NCCNc2cccc(Br)c2)CC1 ZINC000180367382 552224572 /nfs/dbraw/zinc/22/45/72/552224572.db2.gz UNOLHSCTIQYWNA-UHFFFAOYSA-N 0 0 383.286 2.957 10 0 GFAERN O=C(NCCN1CCOCC1)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000184780760 552344026 /nfs/dbraw/zinc/34/40/26/552344026.db2.gz KYUJWCFPQHAUNK-RDJZCZTQSA-N 0 0 387.307 2.910 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)nc2Cl)C12CCOCC2 ZINC000185148572 552355254 /nfs/dbraw/zinc/35/52/54/552355254.db2.gz CKVFLYASBIQQEA-NWDGAFQWSA-N 0 0 395.308 2.641 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2F)C12CCOCC2 ZINC000185148185 552355356 /nfs/dbraw/zinc/35/53/56/552355356.db2.gz PKWXLTRIPIZGFF-HUUCEWRRSA-N 0 0 377.865 2.732 10 0 GFAERN C[C@H](NC(=O)NC(C)(C)COc1ncccc1Br)[C@H]1CCCO1 ZINC000185471532 552364137 /nfs/dbraw/zinc/36/41/37/552364137.db2.gz WAZYPOWADUPWGS-WCQYABFASA-N 0 0 386.290 2.868 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(Br)ncc1Cl ZINC000187542608 552418201 /nfs/dbraw/zinc/41/82/01/552418201.db2.gz YHWMTJQKEWAOAG-JTQLQIEISA-N 0 0 396.676 2.686 10 0 GFAERN Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000188037375 552432487 /nfs/dbraw/zinc/43/24/87/552432487.db2.gz NMNSRNFLMUHZFF-OAHLLOKOSA-N 0 0 389.297 2.875 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000188132328 552436069 /nfs/dbraw/zinc/43/60/69/552436069.db2.gz WLBPYLDCEFJLER-AWEZNQCLSA-N 0 0 379.258 2.872 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000188152027 552437055 /nfs/dbraw/zinc/43/70/55/552437055.db2.gz RUCADIQPWNZDDD-GFCCVEGCSA-N 0 0 398.282 2.831 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000188223530 552439767 /nfs/dbraw/zinc/43/97/67/552439767.db2.gz RYUCXVYMAHJZFN-JTQLQIEISA-N 0 0 394.273 2.580 10 0 GFAERN O=C(NC1CN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)C1)C1CCC1 ZINC000188536448 552447250 /nfs/dbraw/zinc/44/72/50/552447250.db2.gz FCSCWGMAQKWDNC-CVEARBPZSA-N 0 0 377.282 2.680 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(Br)ncc1Cl)CC2 ZINC000188823811 552456576 /nfs/dbraw/zinc/45/65/76/552456576.db2.gz SCJYYKQAWZHHSI-SECBINFHSA-N 0 0 398.692 2.957 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000188869567 552457646 /nfs/dbraw/zinc/45/76/46/552457646.db2.gz LULZHHIITNFAME-MRVPVSSYSA-N 0 0 379.176 2.819 10 0 GFAERN CCCOc1c(Br)cc(CN2CCCNC(=O)[C@@H]2C)cc1OC ZINC000189097737 552463140 /nfs/dbraw/zinc/46/31/40/552463140.db2.gz MKLBPFALSQTDEE-LBPRGKRZSA-N 0 0 385.302 2.957 10 0 GFAERN C[C@@H](CN(C)C(=O)NC[C@H]1CN(C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366146 552469844 /nfs/dbraw/zinc/46/98/44/552469844.db2.gz RZMWRBWCBRUNEX-JSGCOSHPSA-N 0 0 390.311 2.733 10 0 GFAERN O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCO[C@H](Cn2cccn2)C1 ZINC000189421167 552470771 /nfs/dbraw/zinc/47/07/71/552470771.db2.gz AMOSWTPZHMSZJI-NSHDSACASA-N 0 0 377.857 2.529 10 0 GFAERN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189485980 552473136 /nfs/dbraw/zinc/47/31/36/552473136.db2.gz QAICXBGWFZREKO-CYBMUJFWSA-N 0 0 379.298 2.755 10 0 GFAERN CNC(=O)[C@H](NC(=O)N[C@H](C)c1ccc(Br)cc1OC)C(C)C ZINC000189777271 552479825 /nfs/dbraw/zinc/47/98/25/552479825.db2.gz RFWZWARDOMYAQD-QMTHXVAHSA-N 0 0 386.290 2.589 10 0 GFAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190738382 552507462 /nfs/dbraw/zinc/50/74/62/552507462.db2.gz IHVYQBVRWLKJPY-LLVKDONJSA-N 0 0 377.199 2.625 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c(Br)c1 ZINC000190754371 552508077 /nfs/dbraw/zinc/50/80/77/552508077.db2.gz MKXFMBSBCNTUMY-CYBMUJFWSA-N 0 0 391.269 2.584 10 0 GFAERN CC[C@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)Cc1cccc(Br)c1 ZINC000191409335 552527716 /nfs/dbraw/zinc/52/77/16/552527716.db2.gz SKYDWZMPNHMQNL-KBPBESRZSA-N 0 0 396.329 2.938 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)c1ccc(Br)cc1 ZINC000191419273 552527721 /nfs/dbraw/zinc/52/77/21/552527721.db2.gz VBBQUARQRLNHKO-UGFHNGPFSA-N 0 0 384.270 2.985 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3cccc(Br)c3C)CCO2)c1 ZINC000191625097 552533503 /nfs/dbraw/zinc/53/35/03/552533503.db2.gz KWIKPTFTWOWUKR-INIZCTEOSA-N 0 0 392.297 2.733 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)c3cc(Br)cn3CC)CCO2)cn1 ZINC000191747073 552537019 /nfs/dbraw/zinc/53/70/19/552537019.db2.gz GUSACWYCCIVRPE-HNNXBMFYSA-N 0 0 381.274 2.701 10 0 GFAERN CCNc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000191857492 552539933 /nfs/dbraw/zinc/53/99/33/552539933.db2.gz FMFQUQCGMJFKNM-NSHDSACASA-N 0 0 381.885 2.910 10 0 GFAERN Cn1nc(Br)cc1C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000192140211 552552941 /nfs/dbraw/zinc/55/29/41/552552941.db2.gz SMAXTIPQGHKBNA-ZFWWWQNUSA-N 0 0 378.270 2.911 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3c[nH]c4cccc(F)c43)CCO2)n1 ZINC000193949820 553007694 /nfs/dbraw/zinc/00/76/94/553007694.db2.gz CIRSJEVETSLBTI-CYBMUJFWSA-N 0 0 381.454 2.834 10 0 GFAERN CC(C)OCCS(=O)(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193955048 553008019 /nfs/dbraw/zinc/00/80/19/553008019.db2.gz YDIVVLDNVIIZGT-ZDUSSCGKSA-N 0 0 376.544 2.569 10 0 GFAERN CCCCOC[C@H](O)CN(C)CC(=O)Nc1ccc(Br)cc1C ZINC000195135535 553038886 /nfs/dbraw/zinc/03/88/86/553038886.db2.gz IPBSLMPEQMIJNQ-OAHLLOKOSA-N 0 0 387.318 2.805 10 0 GFAERN C[C@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)c1ccccc1Br ZINC000195244337 553042558 /nfs/dbraw/zinc/04/25/58/553042558.db2.gz NTVDEQDLBZCQAM-NSHDSACASA-N 0 0 397.294 2.729 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N[C@H]2COc3ccccc32)cc1Br ZINC000195273945 553043834 /nfs/dbraw/zinc/04/38/34/553043834.db2.gz AXDIJKKUMMPGJB-AWEZNQCLSA-N 0 0 375.222 2.946 10 0 GFAERN Cc1csc([C@H]2CN([C@@H](C)C(=O)N3CCc4sccc4C3)CCO2)n1 ZINC000195387132 553046780 /nfs/dbraw/zinc/04/67/80/553046780.db2.gz VBIVXGFANJCRMX-DZGCQCFKSA-N 0 0 377.535 2.860 10 0 GFAERN CCc1csc([C@H]2CCCN(CCNS(=O)(=O)c3ccccc3)C2)n1 ZINC000195383453 553046920 /nfs/dbraw/zinc/04/69/20/553046920.db2.gz ZUNLLZIJOFUQSG-HNNXBMFYSA-N 0 0 379.551 2.863 10 0 GFAERN CN(CC(F)(F)F)C(=O)CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195401691 553047057 /nfs/dbraw/zinc/04/70/57/553047057.db2.gz CJPVNMZDHVDMQE-NSHDSACASA-N 0 0 379.448 2.835 10 0 GFAERN CC(C)n1nnnc1CS(=O)(=O)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000195426704 553048429 /nfs/dbraw/zinc/04/84/29/553048429.db2.gz LSWDDAZSYHEBLT-SNVBAGLBSA-N 0 0 378.376 2.829 10 0 GFAERN O=C(c1ccc(I)c(O)c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000230889337 553065749 /nfs/dbraw/zinc/06/57/49/553065749.db2.gz DGLQBEKQGDVFQT-GXTWGEPZSA-N 0 0 387.217 2.780 10 0 GFAERN O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)[C@@H]1COCCN1 ZINC000236601406 553069730 /nfs/dbraw/zinc/06/97/30/553069730.db2.gz FFDUCWBQZGURGE-INIZCTEOSA-N 0 0 391.265 2.955 10 0 GFAERN Cc1csc([C@H]2CN([C@@H](C(N)=O)c3ccc(Br)cc3)CCO2)n1 ZINC000245928587 553099904 /nfs/dbraw/zinc/09/99/04/553099904.db2.gz XMAHUIDNXOYMNA-ZIAGYGMSSA-N 0 0 396.310 2.814 10 0 GFAERN COCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H]1C ZINC000247071002 553118053 /nfs/dbraw/zinc/11/80/53/553118053.db2.gz KSNPPGCXKNSTJB-XOKHGSTOSA-N 0 0 381.314 2.732 10 0 GFAERN COC(=O)[C@H](C)N(C[C@@H](O)COc1cccc(Br)c1)C1CCC1 ZINC000248824370 553135509 /nfs/dbraw/zinc/13/55/09/553135509.db2.gz WPACBQBJUXYPQF-SWLSCSKDSA-N 0 0 386.286 2.605 10 0 GFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(Br)c(C)[nH]c1=O ZINC000249587344 553144703 /nfs/dbraw/zinc/14/47/03/553144703.db2.gz UIIFQIKZRYRLLG-HONMWMINSA-N 0 0 397.269 2.804 10 0 GFAERN NCc1nc(CN2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)no1 ZINC000261776186 553159332 /nfs/dbraw/zinc/15/93/32/553159332.db2.gz PEWMTPPSQCFJHB-CYBMUJFWSA-N 0 0 384.267 2.828 10 0 GFAERN Cc1c(Br)cccc1C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262721226 553174561 /nfs/dbraw/zinc/17/45/61/553174561.db2.gz PRQDLNAPOOHMHS-UHFFFAOYSA-N 0 0 395.297 2.815 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(C)Cc2ccccc2Br)C1 ZINC000263456138 553187906 /nfs/dbraw/zinc/18/79/06/553187906.db2.gz HLFBLGKBVZOTKD-UHFFFAOYSA-N 0 0 398.301 2.528 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NCc2cc(F)ccc2Br)ncn1 ZINC000301235300 563397217 /nfs/dbraw/zinc/39/72/17/563397217.db2.gz JWSWZDMZUUHUBO-ZDUSSCGKSA-N 0 0 381.249 2.951 10 0 GFAERN Cn1ncnc1CNc1ncccc1C(=O)Nc1ccc(Br)cc1 ZINC000301421749 563403144 /nfs/dbraw/zinc/40/31/44/563403144.db2.gz FDAUIPXFCWDWSG-UHFFFAOYSA-N 0 0 387.241 2.837 10 0 GFAERN C[C@@H](Cc1ccsc1)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000301506276 563405315 /nfs/dbraw/zinc/40/53/15/563405315.db2.gz ZZKYMGWYTNZFQK-LBPRGKRZSA-N 0 0 387.548 2.623 10 0 GFAERN COC(=O)[C@H](NCc1ncc(I)s1)c1ccccc1 ZINC000302530843 563426302 /nfs/dbraw/zinc/42/63/02/563426302.db2.gz AFUDCNRQCADZKG-GFCCVEGCSA-N 0 0 388.230 2.752 10 0 GFAERN CO[C@@]1(C(=O)Nc2cc(Br)cc(Br)c2)CCOC1 ZINC000529693570 564846883 /nfs/dbraw/zinc/84/68/83/564846883.db2.gz JMBMLERAZHSFOR-LBPRGKRZSA-N 0 0 379.048 2.956 10 0 GFAERN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccn2)CN1Cc1ccc(C(C)C)cc1 ZINC000014993962 570674444 /nfs/dbraw/zinc/67/44/44/570674444.db2.gz XYCOTFSDELQNTB-ICSRJNTNSA-N 0 0 381.476 2.751 10 0 GFAERN CC(=O)N1CCc2c(=O)n(Cc3ccc(Br)cc3Cl)cnc2C1 ZINC000275472808 570694239 /nfs/dbraw/zinc/69/42/39/570694239.db2.gz HVUXFZSLGWPVFS-UHFFFAOYSA-N 0 0 396.672 2.612 10 0 GFAERN Cc1oc(C2CCN(C(=O)NCCc3ccccc3)CC2)nc1C(=O)N(C)C ZINC000065232304 570743239 /nfs/dbraw/zinc/74/32/39/570743239.db2.gz NQKYYEDYPIGOFB-UHFFFAOYSA-N 0 0 384.480 2.817 10 0 GFAERN CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC2CCCC2)CC1 ZINC000252467554 570961548 /nfs/dbraw/zinc/96/15/48/570961548.db2.gz RIQULUBZCLTKJI-FHWLQOOXSA-N 0 0 377.529 2.511 10 0 GFAERN COC[C@H](C)NC(=O)c1ccc(I)c(Br)c1 ZINC000032660501 654607173 /nfs/dbraw/zinc/60/71/73/654607173.db2.gz DRDACNHYHLAMSF-ZETCQYMHSA-N 0 0 398.038 2.818 10 0 GFAERN O=C(NCCSc1ccccc1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000045595275 654670328 /nfs/dbraw/zinc/67/03/28/654670328.db2.gz FENMGMRBZTWFAN-INIZCTEOSA-N 0 0 376.503 2.997 10 0 GFAERN C[C@H](CNC(=O)CCSc1ccccc1Br)N1CCOCC1 ZINC000046745404 654684531 /nfs/dbraw/zinc/68/45/31/654684531.db2.gz VQNUOMCWFSIGEO-CYBMUJFWSA-N 0 0 387.343 2.768 10 0 GFAERN C[C@@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1C(F)(F)F ZINC000121879005 654724881 /nfs/dbraw/zinc/72/48/81/654724881.db2.gz PZZQAUYAKKPHCW-LLVKDONJSA-N 0 0 379.400 2.981 10 0 GFAERN COc1ccc(C(=O)O[C@@H](C)[C@H]2CCOC2)c(I)c1 ZINC000122016787 654728400 /nfs/dbraw/zinc/72/84/00/654728400.db2.gz LDBRUTYVMAQCRX-UWVGGRQHSA-N 0 0 376.190 2.882 10 0 GFAERN COc1ccc(C(=O)O[C@H](C)[C@@H]2CCOC2)c(I)c1 ZINC000122016603 654728417 /nfs/dbraw/zinc/72/84/17/654728417.db2.gz LDBRUTYVMAQCRX-NXEZZACHSA-N 0 0 376.190 2.882 10 0 GFAERN Brc1ccc2c(c1)C=C(CN1CCO[C@@H](Cn3cccn3)C1)CO2 ZINC000122285257 654732218 /nfs/dbraw/zinc/73/22/18/654732218.db2.gz IVZLLWBLJVZPME-QGZVFWFLSA-N 0 0 390.281 2.822 10 0 GFAERN O=C(CCn1nnc2ccccc2c1=O)Oc1ccc(F)cc1Br ZINC000053166919 654742211 /nfs/dbraw/zinc/74/22/11/654742211.db2.gz WLGAFAVPGXWYOO-UHFFFAOYSA-N 0 0 392.184 2.689 10 0 GFAERN O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000126260464 654811901 /nfs/dbraw/zinc/81/19/01/654811901.db2.gz BPTFFPUOZMDDHD-CYBMUJFWSA-N 0 0 379.258 2.725 10 0 GFAERN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1COc2ccccc21 ZINC000058726774 654821870 /nfs/dbraw/zinc/82/18/70/654821870.db2.gz YQDXCIXPYFUESC-OAHLLOKOSA-N 0 0 389.249 2.819 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000129490435 654864026 /nfs/dbraw/zinc/86/40/26/654864026.db2.gz YGFIHBNOOXCHMY-NSHDSACASA-N 0 0 391.280 2.545 10 0 GFAERN CC(C)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000066281757 654899482 /nfs/dbraw/zinc/89/94/82/654899482.db2.gz PHCIEFVUJPPTBP-INIZCTEOSA-N 0 0 378.519 2.636 10 0 GFAERN CCn1ccnc1CN1C(=O)N[C@@](C)(c2ccc(F)cc2Br)C1=O ZINC000067784910 654945531 /nfs/dbraw/zinc/94/55/31/654945531.db2.gz BZDWHDPQTQVBOH-INIZCTEOSA-N 0 0 395.232 2.772 10 0 GFAERN O=S(=O)(c1ccccc1Br)N1CC[C@@H](Oc2cccnc2)C1 ZINC000132705177 654946574 /nfs/dbraw/zinc/94/65/74/654946574.db2.gz QGWZTDGNJMMNID-CYBMUJFWSA-N 0 0 383.267 2.686 10 0 GFAERN C[C@@H](NC(=O)c1ccccc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000069099127 654973139 /nfs/dbraw/zinc/97/31/39/654973139.db2.gz MGXFOTXWSCIYBJ-SNVBAGLBSA-N 0 0 383.267 2.588 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(F)c(Br)c1)CC2 ZINC000134005787 654980128 /nfs/dbraw/zinc/98/01/28/654980128.db2.gz GCPPXMKDOJUFJR-LBPRGKRZSA-N 0 0 395.276 2.977 10 0 GFAERN CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000134284009 654989227 /nfs/dbraw/zinc/98/92/27/654989227.db2.gz UTMYAYRPYSYBNJ-DOTOQJQBSA-N 0 0 395.341 2.951 10 0 GFAERN O=C(Cc1cccc(Br)c1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135284642 655013134 /nfs/dbraw/zinc/01/31/34/655013134.db2.gz YDGGEADBNNGMDR-OAHLLOKOSA-N 0 0 375.270 2.567 10 0 GFAERN Cc1cc(N2CCC[C@H](NC(=O)C[C@H](O)C(C)C)C2=O)ccc1Br ZINC000135961434 655025577 /nfs/dbraw/zinc/02/55/77/655025577.db2.gz GVLCGJUVGQTKEP-HOTGVXAUSA-N 0 0 397.313 2.776 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(F)ccc1Br)CC2 ZINC000136366472 655030557 /nfs/dbraw/zinc/03/05/57/655030557.db2.gz UTOUFJJKGHECRR-SNVBAGLBSA-N 0 0 382.237 2.879 10 0 GFAERN COCCN1C[C@@H](C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1=O ZINC000097699422 655037718 /nfs/dbraw/zinc/03/77/18/655037718.db2.gz UNOVETQXRQAWEM-UWVGGRQHSA-N 0 0 377.243 2.805 10 0 GFAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccnc(Cl)c1I ZINC000137208260 655038484 /nfs/dbraw/zinc/03/84/84/655038484.db2.gz QXERVRQZXZUKGD-OCAPTIKFSA-N 0 0 380.613 2.589 10 0 GFAERN COC(=O)[C@@H]1CCCN(Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000151638187 655053213 /nfs/dbraw/zinc/05/32/13/655053213.db2.gz HPSZMNVULRORCB-CQSZACIVSA-N 0 0 393.285 2.859 10 0 GFAERN Cc1ncc(CN2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)s1 ZINC000106090409 655102410 /nfs/dbraw/zinc/10/24/10/655102410.db2.gz AWPRUONDYXNWPH-MRXNPFEDSA-N 0 0 381.929 2.662 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000106394062 655107859 /nfs/dbraw/zinc/10/78/59/655107859.db2.gz WLKUUTRESZWNST-MRXNPFEDSA-N 0 0 383.330 2.642 10 0 GFAERN CN(c1cccnn1)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000109640053 655149590 /nfs/dbraw/zinc/14/95/90/655149590.db2.gz PSZHKZDWIQNZKE-UHFFFAOYSA-N 0 0 375.270 2.980 10 0 GFAERN CC(=O)N1CSC[C@H]1C(=O)N1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000110512849 655156179 /nfs/dbraw/zinc/15/61/79/655156179.db2.gz PDPOKAJZAMTGSK-JKSUJKDBSA-N 0 0 382.913 2.940 10 0 GFAERN Cc1cc(Br)ccc1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000110951015 655162455 /nfs/dbraw/zinc/16/24/55/655162455.db2.gz CXYBQKPDZDWXTG-MRXNPFEDSA-N 0 0 390.281 2.653 10 0 GFAERN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111080717 655164257 /nfs/dbraw/zinc/16/42/57/655164257.db2.gz GPSBCEOJIAYWLC-MLGOLLRUSA-N 0 0 384.263 2.885 10 0 GFAERN O=S(=O)(c1cccc(Br)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000111343500 655169167 /nfs/dbraw/zinc/16/91/67/655169167.db2.gz ZYSFYEQEHHSMGI-GFCCVEGCSA-N 0 0 389.296 2.668 10 0 GFAERN O=S(=O)(c1ccccc1OC(F)F)N1CCO[C@H](c2nccs2)C1 ZINC000111343914 655169227 /nfs/dbraw/zinc/16/92/27/655169227.db2.gz LYKZNRMYUGSYIF-NSHDSACASA-N 0 0 376.406 2.507 10 0 GFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2ccc(Cl)s2)ncn1 ZINC000173421819 655171248 /nfs/dbraw/zinc/17/12/48/655171248.db2.gz PZJNNVLQEVZRBC-GFCCVEGCSA-N 0 0 379.917 2.951 10 0 GFAERN C[C@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1Br ZINC000173766298 655180640 /nfs/dbraw/zinc/18/06/40/655180640.db2.gz FUYYJLSNYKTJDX-KBPBESRZSA-N 0 0 382.302 2.626 10 0 GFAERN Cc1cnn(C[C@H]2CN(Cn3nc(-c4cccs4)oc3=S)CCO2)c1 ZINC000112072192 655181799 /nfs/dbraw/zinc/18/17/99/655181799.db2.gz JZRFYYGKZGWYDG-CYBMUJFWSA-N 0 0 377.495 2.798 10 0 GFAERN CN1CCO[C@H](CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000113336799 655207992 /nfs/dbraw/zinc/20/79/92/655207992.db2.gz SUGIIDYOVUQGCU-OAHLLOKOSA-N 0 0 382.327 2.993 10 0 GFAERN C[C@H](OC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1CCOC1 ZINC000175274781 655217439 /nfs/dbraw/zinc/21/74/39/655217439.db2.gz IGUHIUQEDKQFLZ-WDEREUQCSA-N 0 0 388.233 2.676 10 0 GFAERN CN1CCO[C@H](CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000114959355 655231195 /nfs/dbraw/zinc/23/11/95/655231195.db2.gz VIYUYURPCFPFMG-CXAGYDPISA-N 0 0 377.535 2.797 10 0 GFAERN CCc1nccn1[C@H]1CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000115372528 655236347 /nfs/dbraw/zinc/23/63/47/655236347.db2.gz YXEQRICSCUIAOA-LBPRGKRZSA-N 0 0 398.248 2.856 10 0 GFAERN Cc1cc(N2CCC[C@H](NC(=O)c3c(Cl)cccc3Cl)C2=O)n(C)n1 ZINC000176487920 655247341 /nfs/dbraw/zinc/24/73/41/655247341.db2.gz HVITXNDJAZENIL-ZDUSSCGKSA-N 0 0 381.263 2.961 10 0 GFAERN O=C(c1c(F)cccc1Br)N1CCCN(c2cccnn2)CC1 ZINC000176513548 655248750 /nfs/dbraw/zinc/24/87/50/655248750.db2.gz NGHMKMKUFCSARB-UHFFFAOYSA-N 0 0 379.233 2.731 10 0 GFAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CCN1CCOC ZINC000117526507 655265520 /nfs/dbraw/zinc/26/55/20/655265520.db2.gz VMNDILPZJZEGMO-LBPRGKRZSA-N 0 0 388.295 2.501 10 0 GFAERN O=C(COc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118671850 655280316 /nfs/dbraw/zinc/28/03/16/655280316.db2.gz OSXPSACQMSYFFB-GFCCVEGCSA-N 0 0 381.263 2.947 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cc(Br)ccc1F ZINC000177588939 655282891 /nfs/dbraw/zinc/28/28/91/655282891.db2.gz MUWOEZJFWCRYIL-SECBINFHSA-N 0 0 396.278 2.939 10 0 GFAERN O[C@@H](COc1cccc(Br)c1)CN1CCO[C@H](c2ccco2)C1 ZINC000177676799 655285670 /nfs/dbraw/zinc/28/56/70/655285670.db2.gz SIVVLANDJKNTMJ-PBHICJAKSA-N 0 0 382.254 2.855 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000119780338 655315060 /nfs/dbraw/zinc/31/50/60/655315060.db2.gz MGZFRUOZBOTLCO-CQSZACIVSA-N 0 0 379.507 2.953 10 0 GFAERN C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)C1CCOCC1 ZINC000180024979 655320968 /nfs/dbraw/zinc/32/09/68/655320968.db2.gz DZHZOLQZRUANFN-SNVBAGLBSA-N 0 0 391.283 2.825 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000120154254 655329342 /nfs/dbraw/zinc/32/93/42/655329342.db2.gz AJFLNLUCQGSLKG-BXUZGUMPSA-N 0 0 393.285 2.942 10 0 GFAERN Cc1nc(Br)ccc1NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000181345217 655335557 /nfs/dbraw/zinc/33/55/57/655335557.db2.gz PPYNDMHRFRKKKT-JTQLQIEISA-N 0 0 379.262 2.963 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccnc1Br)c1ccc(F)c(F)c1 ZINC000181353097 655335775 /nfs/dbraw/zinc/33/57/75/655335775.db2.gz TXIVMVKMALTNKW-MRVPVSSYSA-N 0 0 384.180 2.938 10 0 GFAERN COc1ccc([C@@H](C)C(=O)OCCn2cc(Br)ccc2=O)cc1 ZINC000181365142 655336105 /nfs/dbraw/zinc/33/61/05/655336105.db2.gz JRMHEWMCARGKJH-GFCCVEGCSA-N 0 0 380.238 2.966 10 0 GFAERN C[C@@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000186088634 655367730 /nfs/dbraw/zinc/36/77/30/655367730.db2.gz SDVLVZCYHAZKMS-BXUZGUMPSA-N 0 0 390.299 2.867 10 0 GFAERN C[C@H](Sc1nc2ccccc2s1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188531004 655380505 /nfs/dbraw/zinc/38/05/05/655380505.db2.gz CNBJGSGLOMEGHD-NSHDSACASA-N 0 0 375.519 2.904 10 0 GFAERN COc1ccccc1Nc1nn(CN2CCCNC(=O)[C@H]2C)c(=S)s1 ZINC000190710590 655394309 /nfs/dbraw/zinc/39/43/09/655394309.db2.gz XMGBLVJORWQMFL-LLVKDONJSA-N 0 0 379.511 2.594 10 0 GFAERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1S(=O)(=O)CCc1cccs1 ZINC000192018395 655402025 /nfs/dbraw/zinc/40/20/25/655402025.db2.gz KDUMMCLEYFESKQ-CQSZACIVSA-N 0 0 388.555 3.000 10 0 GFAERN Cc1nn(CCOC(=O)[C@@H]2CCCO[C@@H]2C)c2ncc(Br)cc12 ZINC000192245793 655403969 /nfs/dbraw/zinc/40/39/69/655403969.db2.gz QPEGVLAQFBWJEM-DGCLKSJQSA-N 0 0 382.258 2.861 10 0 GFAERN COCCn1c(C(=O)NCc2cccnc2)cc2oc(Br)cc21 ZINC000223714615 655422481 /nfs/dbraw/zinc/42/24/81/655422481.db2.gz GZEXNBIKHRTSEH-UHFFFAOYSA-N 0 0 378.226 2.968 10 0 GFAERN C[C@H](OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1CCOC1 ZINC000247055131 655431041 /nfs/dbraw/zinc/43/10/41/655431041.db2.gz OSHZEQFMKQBDNU-XQQFMLRXSA-N 0 0 382.254 2.770 10 0 GFAERN Cc1ncc(CN2CCN(S(=O)(=O)/C=C\c3ccc(F)cc3)CC2)s1 ZINC000255713813 655440214 /nfs/dbraw/zinc/44/02/14/655440214.db2.gz NZACAPSENYNMOQ-WDZFZDKYSA-N 0 0 381.498 2.709 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)c2ccccc2Br)C1 ZINC000263009414 655448412 /nfs/dbraw/zinc/44/84/12/655448412.db2.gz NODOSLYHSLUHAV-PNESKVBLSA-N 0 0 398.301 2.747 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](C)c2cccc(Br)c2)C1 ZINC000263090333 655449491 /nfs/dbraw/zinc/44/94/91/655449491.db2.gz VNVOQBXHFBIKBM-QGLTVNCISA-N 0 0 398.301 2.747 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(CCCc2c(Cl)cccc2Cl)CCO1 ZINC000263458356 655451916 /nfs/dbraw/zinc/45/19/16/655451916.db2.gz BEVLHIUBUDLILC-ZDUSSCGKSA-N 0 0 375.296 2.643 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000263515189 655452324 /nfs/dbraw/zinc/45/23/24/655452324.db2.gz ZKIGAHPIYQFWNV-UHFFFAOYSA-N 0 0 384.274 2.817 10 0 GFAERN C[C@@H](O)[C@H](C)NC(=O)c1ccc(I)c(Br)c1 ZINC000721587986 655524894 /nfs/dbraw/zinc/52/48/94/655524894.db2.gz NRDBMVAURUVCGG-NKWVEPMBSA-N 0 0 398.038 2.553 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000702796532 655521827 /nfs/dbraw/zinc/52/18/27/655521827.db2.gz SODLTYQNYDVIKE-FZMZJTMJSA-N 0 0 389.279 2.951 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(Cl)ccc2Cl)[C@H](O)C1 ZINC000702798839 655521900 /nfs/dbraw/zinc/52/19/00/655521900.db2.gz VTPBIZRWOKUINU-QMTHXVAHSA-N 0 0 389.279 2.951 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](CNc2ncc(Br)cc2F)[C@H](O)C1 ZINC000705656528 655522147 /nfs/dbraw/zinc/52/21/47/655522147.db2.gz ICYUDTGBGWMQRQ-BXKDBHETSA-N 0 0 390.253 2.623 10 0 GFAERN COc1cc(/C=C\C(=O)N2CCC[C@]23CCOC3)cc(Br)c1O ZINC000886059728 663102851 /nfs/dbraw/zinc/10/28/51/663102851.db2.gz YOGAJPHFEBLCCT-CWIOURORSA-N 0 0 382.254 2.958 10 0 GFAERN CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)NC(C)=O ZINC000033986382 203837453 /nfs/dbraw/zinc/83/74/53/203837453.db2.gz GGNHZXRCRZASKP-JTPNTKCXSA-N 0 0 393.524 2.829 10 0 GFAERN Cc1nn(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2ccccc12 ZINC000001365252 203902314 /nfs/dbraw/zinc/90/23/14/203902314.db2.gz PBQBTLUOIIPJRW-UHFFFAOYSA-N 0 0 390.443 2.580 10 0 GFAERN COc1cc(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc(OC)c1OC ZINC000004924081 204092210 /nfs/dbraw/zinc/09/22/10/204092210.db2.gz VNYUAAQHWCSWOY-HNNXBMFYSA-N 0 0 384.432 2.667 10 0 GFAERN C[C@@H]1CCCCN1C(=O)CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000006806514 204209280 /nfs/dbraw/zinc/20/92/80/204209280.db2.gz URICFFKKPPYXOH-OAHLLOKOSA-N 0 0 396.491 2.853 10 0 GFAERN CC[C@H](C(=O)NC1CC1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000006944737 204226044 /nfs/dbraw/zinc/22/60/44/204226044.db2.gz MYMFJHKVXIHESH-QGZVFWFLSA-N 0 0 379.464 2.737 10 0 GFAERN Cc1ccsc1-c1nc2c([nH]c(=O)n2-c2ccc(Cl)cc2)c(C(N)=O)n1 ZINC000008683779 204282895 /nfs/dbraw/zinc/28/28/95/204282895.db2.gz QWKQVYIBHBQSIR-UHFFFAOYSA-N 0 0 385.836 2.898 10 0 GFAERN CCOc1cc(/C=C2/NC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(F)F ZINC000008254316 204267789 /nfs/dbraw/zinc/26/77/89/204267789.db2.gz RTCJSWONFHYOIY-FMNNIJNLSA-N 0 0 398.431 2.923 10 0 GFAERN CN(C)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)cc1 ZINC000012202570 204382184 /nfs/dbraw/zinc/38/21/84/204382184.db2.gz XEKKVXZSUTXUED-UHFFFAOYSA-N 0 0 387.461 2.597 10 0 GFAERN COc1ccc2ccccc2c1CNC(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C ZINC000012203302 204382527 /nfs/dbraw/zinc/38/25/27/204382527.db2.gz CTRSTZLAXPPBJV-IBGZPJMESA-N 0 0 397.519 2.701 10 0 GFAERN CCN(c1ccccc1)S(=O)(=O)c1cc(N2C(=O)CCC2=O)ccc1OC ZINC000012201120 204383071 /nfs/dbraw/zinc/38/30/71/204383071.db2.gz YVVDGQMPNYRWLS-UHFFFAOYSA-N 0 0 388.445 2.564 10 0 GFAERN Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)Nc1ccccc1F ZINC000012208088 204384509 /nfs/dbraw/zinc/38/45/09/204384509.db2.gz WFJBYOFOPPYDCL-UHFFFAOYSA-N 0 0 398.481 2.865 10 0 GFAERN COc1ccc(Cc2nc3ccc(C(=O)NCCN4CCCC4=O)cc3o2)cc1 ZINC000012746227 204440100 /nfs/dbraw/zinc/44/01/00/204440100.db2.gz OVVUPFVZOYKNSQ-UHFFFAOYSA-N 0 0 393.443 2.779 10 0 GFAERN Nc1cc(F)ccc1S(=O)(=O)Nc1ccccc1I ZINC000034957776 204982100 /nfs/dbraw/zinc/98/21/00/204982100.db2.gz CNJCPVXIJNBHBG-UHFFFAOYSA-N 0 0 392.193 2.813 10 0 GFAERN COc1ccc([C@H]2CN(C(=O)C3CC3)C[C@@H]2C(=O)NCc2ccccc2)cc1 ZINC000036041547 205002601 /nfs/dbraw/zinc/00/26/01/205002601.db2.gz FOPCDFUKDYVTME-RTWAWAEBSA-N 0 0 378.472 2.964 10 0 GFAERN COCCNC(=O)[C@H]1CN(C(=O)c2ccccc2C)C[C@@H]1c1cccc(OC)c1 ZINC000036045702 205003278 /nfs/dbraw/zinc/00/32/78/205003278.db2.gz ZFHBDPFUTREROG-RTWAWAEBSA-N 0 0 396.487 2.622 10 0 GFAERN COCCOc1nc(-c2ccccc2F)n(-c2ccc(NC[C@@H](C)O)cc2)n1 ZINC000036145759 205006934 /nfs/dbraw/zinc/00/69/34/205006934.db2.gz WZRCBKDKJBCZNS-CQSZACIVSA-N 0 0 386.427 2.891 10 0 GFAERN CC(C)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036254561 205009390 /nfs/dbraw/zinc/00/93/90/205009390.db2.gz MCZZRWAUUHURNN-IBGZPJMESA-N 0 0 375.513 2.759 10 0 GFAERN COCC(=O)N(Cc1ccc(C)cc1)c1cccc(CC(=O)N2CCOCC2)c1 ZINC000037601156 205030372 /nfs/dbraw/zinc/03/03/72/205030372.db2.gz AXDJMGSWKDDWHD-UHFFFAOYSA-N 0 0 396.487 2.576 10 0 GFAERN CCc1nnc(CN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)C(C)C)o1 ZINC000055088519 205141872 /nfs/dbraw/zinc/14/18/72/205141872.db2.gz YCHVEFGPSYSGAY-KRWDZBQOSA-N 0 0 384.480 2.726 10 0 GFAERN O=C(C[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)NCCc1cccc(Cl)c1 ZINC000058018410 205162365 /nfs/dbraw/zinc/16/23/65/205162365.db2.gz DDTUWZXJTPJLQU-INIZCTEOSA-N 0 0 389.814 2.653 10 0 GFAERN Cn1c([C@H]2CCN(S(=O)(=O)c3ccc(Cl)s3)C2)nc2cccnc21 ZINC000065285160 205226797 /nfs/dbraw/zinc/22/67/97/205226797.db2.gz KDXZNSLAXXEQRZ-JTQLQIEISA-N 0 0 382.898 2.861 10 0 GFAERN O=C(N[C@@H](c1nnc(N2CCOCC2)o1)c1ccccc1)c1ccc(F)cc1 ZINC000065209664 205219682 /nfs/dbraw/zinc/21/96/82/205219682.db2.gz VJHNPFFSDFHNNU-QGZVFWFLSA-N 0 0 382.395 2.565 10 0 GFAERN Cc1cc(C)n(-c2nc(CCNC(=O)Cn3cnc4ccccc43)cs2)n1 ZINC000090609296 205275562 /nfs/dbraw/zinc/27/55/62/205275562.db2.gz ASAOIHSHANVRMJ-UHFFFAOYSA-N 0 0 380.477 2.654 10 0 GFAERN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)c1C ZINC000085620726 205402721 /nfs/dbraw/zinc/40/27/21/205402721.db2.gz SIEGLUOHFIYIND-INIZCTEOSA-N 0 0 391.512 2.823 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CS(=O)(=O)c1cnc2ccccc2n1 ZINC000095085985 205438394 /nfs/dbraw/zinc/43/83/94/205438394.db2.gz JBLDJNZBJXABRN-CYBMUJFWSA-N 0 0 377.466 2.803 10 0 GFAERN O=C(c1ccco1)N1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)CC1 ZINC000028575632 206047135 /nfs/dbraw/zinc/04/71/35/206047135.db2.gz HBBAHBBFGJUPEB-UHFFFAOYSA-N 0 0 398.850 2.776 10 0 GFAERN CCOCc1nn2c(nc(COC(=O)[C@H](CC)c3ccccc3)cc2=O)s1 ZINC000041077288 206196009 /nfs/dbraw/zinc/19/60/09/206196009.db2.gz LEIHVMADFWSKNV-OAHLLOKOSA-N 0 0 387.461 2.925 10 0 GFAERN COc1cccc(N2C(=O)C(Cl)=C(N3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000064622521 136157279 /nfs/dbraw/zinc/15/72/79/136157279.db2.gz YKFUZBCTEJCKGD-UHFFFAOYSA-N 0 0 397.862 2.841 10 0 GFAERN CCCn1ncc(N2CCC(C(=O)N[C@H](C)c3cccc(OC)c3)CC2)cc1=O ZINC000065311423 136163175 /nfs/dbraw/zinc/16/31/75/136163175.db2.gz NPWFPJOLMLGMNM-MRXNPFEDSA-N 0 0 398.507 2.756 10 0 GFAERN Cc1cc(N2CCOCC2)nc(CNC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000224177187 136206439 /nfs/dbraw/zinc/20/64/39/136206439.db2.gz AUGQJJLICJWNJI-UHFFFAOYSA-N 0 0 380.370 2.570 10 0 GFAERN CCO[C@@]1(C(=O)Nc2ccc(F)cc2I)CCOC1 ZINC000401554178 563535375 /nfs/dbraw/zinc/53/53/75/563535375.db2.gz RTJRDQBBQBUURO-ZDUSSCGKSA-N 0 0 379.169 2.564 10 0 GFAERN CC(C)(C)CC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NC2CC2)CC1 ZINC000036212657 221847084 /nfs/dbraw/zinc/84/70/84/221847084.db2.gz YVOYBVSPMQSHIX-HXUWFJFHSA-N 0 0 399.535 2.738 10 0 GFAERN COc1ccccc1C(=O)N1CCc2c(c(-c3nc(C4CC4)no3)nn2C)C1 ZINC000064566287 222074234 /nfs/dbraw/zinc/07/42/34/222074234.db2.gz YNYZMNNTUBMADQ-UHFFFAOYSA-N 0 0 379.420 2.555 10 0 GFAERN CCc1nc(NC2CC[NH+](Cc3ccccc3)CC2)nc(OCC(=O)[O-])c1C ZINC000073709119 522406714 /nfs/dbraw/zinc/40/67/14/522406714.db2.gz OGOPBSILDDLVBF-UHFFFAOYSA-N 0 0 384.480 2.887 10 0 GFAERN O=C([O-])COc1nc(NC2CC[NH+](Cc3ccccc3)CC2)nc2c1CCC2 ZINC000073709084 527620511 /nfs/dbraw/zinc/62/05/11/527620511.db2.gz GYWDSCMAVBLFJA-UHFFFAOYSA-N 0 0 382.464 2.505 10 0 GFAERN CN1CCN(c2ncc(NC(=O)C(c3ccccc3)c3ccccc3)cn2)CC1 ZINC000224254802 536426531 /nfs/dbraw/zinc/42/65/31/536426531.db2.gz GUHQANLHOBMPLW-UHFFFAOYSA-N 0 0 387.487 2.999 10 0 GFAERN Cc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(Br)cc1 ZINC000021035438 551116402 /nfs/dbraw/zinc/11/64/02/551116402.db2.gz ZYBYWIWUNUAZKV-UHFFFAOYSA-N 0 0 377.242 2.636 10 0 GFAERN C[C@@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000028409666 551123858 /nfs/dbraw/zinc/12/38/58/551123858.db2.gz CDEHYQOEWIWZRB-SNVBAGLBSA-N 0 0 387.914 2.652 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)CN1CCOCC1 ZINC000041536105 551135976 /nfs/dbraw/zinc/13/59/76/551135976.db2.gz INIXMQZDAXAQGM-QWHCGFSZSA-N 0 0 375.296 2.845 10 0 GFAERN CCN(CC)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000066325455 551186557 /nfs/dbraw/zinc/18/65/57/551186557.db2.gz AIBIZNPZLYMODT-MRXNPFEDSA-N 0 0 378.519 2.732 10 0 GFAERN CCN(CC)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000066325454 551186572 /nfs/dbraw/zinc/18/65/72/551186572.db2.gz AIBIZNPZLYMODT-INIZCTEOSA-N 0 0 378.519 2.732 10 0 GFAERN CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000066907931 551187589 /nfs/dbraw/zinc/18/75/89/551187589.db2.gz YLAHIHVJZBCRHA-ZDUSSCGKSA-N 0 0 387.933 2.857 10 0 GFAERN O=C(CCCCOc1ccc(Br)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112648475 551206575 /nfs/dbraw/zinc/20/65/75/551206575.db2.gz IGSZVOMDFXASQG-AWEZNQCLSA-N 0 0 393.285 2.721 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cccc(F)c3F)CC2)cs1 ZINC000116351232 551212824 /nfs/dbraw/zinc/21/28/24/551212824.db2.gz PDPZIKWDBUMDEX-UHFFFAOYSA-N 0 0 387.477 2.626 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3C)CC2)cs1 ZINC000116351610 551212975 /nfs/dbraw/zinc/21/29/75/551212975.db2.gz PPRINSYEHGETFJ-UHFFFAOYSA-N 0 0 383.514 2.796 10 0 GFAERN Brc1ccc(-c2c[nH]c(CN3CC[C@H](N4CCOCC4)C3)n2)cc1 ZINC000121037164 551225918 /nfs/dbraw/zinc/22/59/18/551225918.db2.gz MASWODCMSLFEOB-INIZCTEOSA-N 0 0 391.313 2.746 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)CCc2cc(Br)cs2)n1 ZINC000121147126 551228254 /nfs/dbraw/zinc/22/82/54/551228254.db2.gz SAPMKDXJMDFFKS-LBPRGKRZSA-N 0 0 386.271 2.735 10 0 GFAERN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1cc(Br)c(F)cc1F ZINC000121351814 551232845 /nfs/dbraw/zinc/23/28/45/551232845.db2.gz PDMOIXSEKPCWER-PRHODGIISA-N 0 0 384.242 2.557 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nnc2n1CCCC2 ZINC000121698206 551239812 /nfs/dbraw/zinc/23/98/12/551239812.db2.gz YMHIWYGSAGTGLA-SECBINFHSA-N 0 0 375.281 2.961 10 0 GFAERN CCCn1cc(CN2CCCN(C(=O)C[C@H]3CSCCS3)CC2)cn1 ZINC000126718205 551332090 /nfs/dbraw/zinc/33/20/90/551332090.db2.gz DELNRSQJWDPALR-KRWDZBQOSA-N 0 0 382.599 2.566 10 0 GFAERN CCc1ccc([C@@H](C)NC(=O)NCc2ccc(S(=O)(=O)NC)s2)cc1 ZINC000126950739 551334949 /nfs/dbraw/zinc/33/49/49/551334949.db2.gz NPEQKYOYUBMBGC-GFCCVEGCSA-N 0 0 381.523 2.779 10 0 GFAERN C[C@H](NC(=O)[C@H]1CNC(=O)C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000128331870 551348826 /nfs/dbraw/zinc/34/88/26/551348826.db2.gz SNSMSOSFERRDGA-GXSJLCMTSA-N 0 0 394.294 2.886 10 0 GFAERN CCOc1ccc(S(=O)(=O)N2CCS[C@H](C)C2)cc1Br ZINC000130030302 551361114 /nfs/dbraw/zinc/36/11/14/551361114.db2.gz QUQKOFQQQONPIY-SNVBAGLBSA-N 0 0 380.329 2.974 10 0 GFAERN COc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1I ZINC000130811085 551369989 /nfs/dbraw/zinc/36/99/89/551369989.db2.gz OHHOPOQGENKVSN-CABZTGNLSA-N 0 0 375.206 2.597 10 0 GFAERN CC(C)c1csc([C@H]2CCCN(C(=O)N[C@@H](C)CCS(C)(=O)=O)C2)n1 ZINC000135310275 551387111 /nfs/dbraw/zinc/38/71/11/551387111.db2.gz MCFZTLBNLUPYCH-KBPBESRZSA-N 0 0 387.571 2.979 10 0 GFAERN CC(C)c1csc([C@@H]2CCCN(C(=O)N[C@@H](C)CCS(C)(=O)=O)C2)n1 ZINC000135310255 551387491 /nfs/dbraw/zinc/38/74/91/551387491.db2.gz MCFZTLBNLUPYCH-UONOGXRCSA-N 0 0 387.571 2.979 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000151431257 551413450 /nfs/dbraw/zinc/41/34/50/551413450.db2.gz SJHXPFNIMNJSMN-LBPRGKRZSA-N 0 0 380.246 2.735 10 0 GFAERN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000151598701 551417449 /nfs/dbraw/zinc/41/74/49/551417449.db2.gz DPQGZXKSYJMJFA-CQSZACIVSA-N 0 0 375.281 2.752 10 0 GFAERN COCCc1noc(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000152504498 551434317 /nfs/dbraw/zinc/43/43/17/551434317.db2.gz XUSBRUKUVDMGGF-SNVBAGLBSA-N 0 0 388.251 2.991 10 0 GFAERN C[C@H](NC(=O)N(C)Cc1cc(Br)cn1C)c1nnc2n1CCCC2 ZINC000152928689 551443230 /nfs/dbraw/zinc/44/32/30/551443230.db2.gz UGUDEYANZVOHQH-NSHDSACASA-N 0 0 395.305 2.618 10 0 GFAERN C[C@H](NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(Cl)c1 ZINC000154410750 551474858 /nfs/dbraw/zinc/47/48/58/551474858.db2.gz MRLQRSGDPGXVOE-LBPRGKRZSA-N 0 0 385.917 2.657 10 0 GFAERN C[C@H](C(=O)NC[C@H]1CCCS1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000155071801 551490473 /nfs/dbraw/zinc/49/04/73/551490473.db2.gz ZTEVQWYGLFSSDL-RKDXNWHRSA-N 0 0 387.288 2.990 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1cccc(Br)n1 ZINC000155230157 551495084 /nfs/dbraw/zinc/49/50/84/551495084.db2.gz PFTSKZNFWZQWHX-NSHDSACASA-N 0 0 384.274 2.973 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)CC2 ZINC000155256869 551495850 /nfs/dbraw/zinc/49/58/50/551495850.db2.gz SYNCDSUAWHVETD-GFCCVEGCSA-N 0 0 386.880 2.628 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1cc(Cl)ccc1Cl ZINC000155369854 551498497 /nfs/dbraw/zinc/49/84/97/551498497.db2.gz VOYLOZHJBFWBKY-LBPRGKRZSA-N 0 0 385.251 2.761 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)Cc3cccc(I)c3)C2)cn1 ZINC000156150831 551515842 /nfs/dbraw/zinc/51/58/42/551515842.db2.gz YILWYVPNCCIJRF-ZDUSSCGKSA-N 0 0 395.244 2.583 10 0 GFAERN Cc1c(I)cccc1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000156150074 551516065 /nfs/dbraw/zinc/51/60/65/551516065.db2.gz JOXQBAYFIKMPEF-GFCCVEGCSA-N 0 0 395.244 2.963 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)c(Cl)c2)C[C@@H]1C ZINC000157124225 551533597 /nfs/dbraw/zinc/53/35/97/551533597.db2.gz LPGZWSGIBQRPJD-WDEREUQCSA-N 0 0 375.694 2.630 10 0 GFAERN OC[C@H](O)CSCc1coc(-c2ccc(I)cc2)n1 ZINC000157680534 551541083 /nfs/dbraw/zinc/54/10/83/551541083.db2.gz DJHBFWXJGOMNII-LBPRGKRZSA-N 0 0 391.230 2.533 10 0 GFAERN CCC[C@@H](NC(=O)N1CCS[C@@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000171439562 551655743 /nfs/dbraw/zinc/65/57/43/551655743.db2.gz IIKCJYUKSASTKM-DZGCQCFKSA-N 0 0 381.567 2.948 10 0 GFAERN Cc1cccc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1I ZINC000171661951 551660141 /nfs/dbraw/zinc/66/01/41/551660141.db2.gz PKSXHOXFCQENPU-GFCCVEGCSA-N 0 0 396.232 2.668 10 0 GFAERN O=S(=O)(CCN1CCC[C@@H](n2cncn2)C1)c1cc(Cl)ccc1Cl ZINC000171703703 551661354 /nfs/dbraw/zinc/66/13/54/551661354.db2.gz RQFKZVPIFCMLPG-CYBMUJFWSA-N 0 0 389.308 2.696 10 0 GFAERN C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)CCS1 ZINC000171733913 551662122 /nfs/dbraw/zinc/66/21/22/551662122.db2.gz LIDHDEAEEKLLCQ-RHSMWYFYSA-N 0 0 383.945 2.860 10 0 GFAERN O=S(=O)(c1ccc(Cl)nc1Cl)N1CCO[C@@H](c2nccs2)C1 ZINC000171769520 551662421 /nfs/dbraw/zinc/66/24/21/551662421.db2.gz MHXAEPQLMJCLLY-MRVPVSSYSA-N 0 0 380.278 2.607 10 0 GFAERN CCOc1ncc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1Cl ZINC000171795429 551663742 /nfs/dbraw/zinc/66/37/42/551663742.db2.gz UDWFTEZOWKBBLM-AWEZNQCLSA-N 0 0 380.853 2.782 10 0 GFAERN Cc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1I ZINC000171821740 551664641 /nfs/dbraw/zinc/66/46/41/551664641.db2.gz RMSAFXKJMNITSC-CYBMUJFWSA-N 0 0 396.232 2.668 10 0 GFAERN COC(=O)C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(Br)c1 ZINC000172142216 551671518 /nfs/dbraw/zinc/67/15/18/551671518.db2.gz CWCKJFNIBCGYIT-TUVASFSCSA-N 0 0 397.269 2.672 10 0 GFAERN Brc1ccc(-c2noc(CN3CCC[C@@H](n4cncn4)C3)n2)s1 ZINC000172247865 551674413 /nfs/dbraw/zinc/67/44/13/551674413.db2.gz NPIHQCSSKYTSOI-SNVBAGLBSA-N 0 0 395.286 2.989 10 0 GFAERN Cc1ccc(C[C@@H](C)NC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000172339630 551676587 /nfs/dbraw/zinc/67/65/87/551676587.db2.gz SDIWHDMFKIDHLO-DGCLKSJQSA-N 0 0 381.523 2.695 10 0 GFAERN C[C@H](COCc1ccccc1)NC(=O)c1cc(I)c[nH]1 ZINC000172974691 551691258 /nfs/dbraw/zinc/69/12/58/551691258.db2.gz BFAWHHYWHBVNSY-LLVKDONJSA-N 0 0 384.217 2.954 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)C3(c4ccc(Br)cc4)CC3)CCO2)[nH]1 ZINC000173088557 551695470 /nfs/dbraw/zinc/69/54/70/551695470.db2.gz UKVHSVHPKXIPDL-AWEZNQCLSA-N 0 0 391.269 2.507 10 0 GFAERN O=C(COc1cc(Cl)cc(Cl)c1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000173526581 552086956 /nfs/dbraw/zinc/08/69/56/552086956.db2.gz PYRZNOVAZGITNQ-CQSZACIVSA-N 0 0 381.263 2.947 10 0 GFAERN CC(C)c1csc([C@@H]2CCCN(C(=O)c3csc(S(N)(=O)=O)c3)C2)n1 ZINC000173961709 552095720 /nfs/dbraw/zinc/09/57/20/552095720.db2.gz GWDORCAKMMVGBS-LLVKDONJSA-N 0 0 399.563 2.995 10 0 GFAERN C[C@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@@H]1N1CCOCC1 ZINC000173967940 552096503 /nfs/dbraw/zinc/09/65/03/552096503.db2.gz WUABVHGAYPCCGT-ZFWWWQNUSA-N 0 0 377.535 2.568 10 0 GFAERN C[C@@H](NC(=O)NC[C@@H](C)Cc1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000174541827 552106219 /nfs/dbraw/zinc/10/62/19/552106219.db2.gz QARNPKCQAZTMOY-QWHCGFSZSA-N 0 0 381.523 2.635 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(Br)c(OC)c1)CC2 ZINC000175011039 552113756 /nfs/dbraw/zinc/11/37/56/552113756.db2.gz WZPFOXQTQPURRO-LLVKDONJSA-N 0 0 394.273 2.748 10 0 GFAERN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)s1 ZINC000175216506 552117981 /nfs/dbraw/zinc/11/79/81/552117981.db2.gz JNSJHZIWPDZICA-KRWDZBQOSA-N 0 0 380.535 2.717 10 0 GFAERN O=C(c1occc1Br)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000176008922 552134310 /nfs/dbraw/zinc/13/43/10/552134310.db2.gz CGCNYIYPGQVKFD-OAHLLOKOSA-N 0 0 379.254 2.534 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000177004740 552149523 /nfs/dbraw/zinc/14/95/23/552149523.db2.gz AKBZPOJJQFZUIQ-ZDUSSCGKSA-N 0 0 375.281 2.848 10 0 GFAERN COc1ccc(CCC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1Br ZINC000177692942 552157295 /nfs/dbraw/zinc/15/72/95/552157295.db2.gz NYKSOOCJJZHZOU-CQSZACIVSA-N 0 0 393.285 2.942 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCOc1ccccc1Br ZINC000177732189 552158015 /nfs/dbraw/zinc/15/80/15/552158015.db2.gz IXHSOHPPZWNJPW-ZDUSSCGKSA-N 0 0 379.258 2.769 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCCc1cc(Cl)ccc1Br)C(C)C ZINC000178458988 552170834 /nfs/dbraw/zinc/17/08/34/552170834.db2.gz PYJVJBXCBKLCAW-CYBMUJFWSA-N 0 0 390.709 2.715 10 0 GFAERN Cc1csc(CNC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000178486743 552171467 /nfs/dbraw/zinc/17/14/67/552171467.db2.gz CDOFKIZSYFAFPF-AWEZNQCLSA-N 0 0 380.539 2.728 10 0 GFAERN Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c(Br)n1 ZINC000179258675 552188445 /nfs/dbraw/zinc/18/84/45/552188445.db2.gz BNNMBUGRQGODIR-ZDUSSCGKSA-N 0 0 395.278 2.801 10 0 GFAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000179255327 552188490 /nfs/dbraw/zinc/18/84/90/552188490.db2.gz OYDHTLIHFZHNQC-GXFFZTMASA-N 0 0 379.254 2.572 10 0 GFAERN COC(=O)C1CCC(C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000180077099 552212331 /nfs/dbraw/zinc/21/23/31/552212331.db2.gz ZEVCCCVQUPXVGJ-UHFFFAOYSA-N 0 0 384.270 2.924 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000180094722 552212762 /nfs/dbraw/zinc/21/27/62/552212762.db2.gz CEXQXXJOOVOGIS-NSHDSACASA-N 0 0 384.889 2.510 10 0 GFAERN O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000180146846 552214816 /nfs/dbraw/zinc/21/48/16/552214816.db2.gz FFTPNOWXSMQGJC-GFCCVEGCSA-N 0 0 375.803 2.880 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1cc(Br)cc(Br)c1)C(C)C ZINC000180433444 552225486 /nfs/dbraw/zinc/22/54/86/552225486.db2.gz MZWIGVQUQCWFBW-LLVKDONJSA-N 0 0 392.091 2.712 10 0 GFAERN CCCc1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)n(C)n1 ZINC000180565403 552230182 /nfs/dbraw/zinc/23/01/82/552230182.db2.gz VVTYEFBYEYHQMX-LLVKDONJSA-N 0 0 393.285 2.951 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000180614368 552231263 /nfs/dbraw/zinc/23/12/63/552231263.db2.gz IPORJEICILCNPW-QMMMGPOBSA-N 0 0 375.380 2.580 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)[C@H](C)C2 ZINC000181228161 552250543 /nfs/dbraw/zinc/25/05/43/552250543.db2.gz KVAQCAAKOCXCLR-FZKQIMNGSA-N 0 0 378.519 2.775 10 0 GFAERN COc1nc(N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)ncc1Br ZINC000181279758 552252390 /nfs/dbraw/zinc/25/23/90/552252390.db2.gz SOQJZWPZSLGDAX-QMMMGPOBSA-N 0 0 399.195 2.743 10 0 GFAERN COC1(CNC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CCC1 ZINC000181965519 552271847 /nfs/dbraw/zinc/27/18/47/552271847.db2.gz SZXHIHSGUHTVTP-VIFPVBQESA-N 0 0 385.247 2.663 10 0 GFAERN O=C(CCc1cc(F)ccc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000182420600 552283716 /nfs/dbraw/zinc/28/37/16/552283716.db2.gz GPQQCCOKQXGJDO-HNNXBMFYSA-N 0 0 396.260 2.645 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1coc(-c2ccc(Br)cc2F)n1)C(C)C ZINC000182572718 552287822 /nfs/dbraw/zinc/28/78/22/552287822.db2.gz FZFAKHMJYYTLJF-CYBMUJFWSA-N 0 0 398.232 2.744 10 0 GFAERN COC[C@H](O)CCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183604866 552314421 /nfs/dbraw/zinc/31/44/21/552314421.db2.gz NDXCTLILNGFEFQ-IVMMDQJWSA-N 0 0 376.280 2.975 10 0 GFAERN O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc(Cl)cc1OC(F)F ZINC000184395956 552334443 /nfs/dbraw/zinc/33/44/43/552334443.db2.gz ZQZGGAJVVVNYBN-GFCCVEGCSA-N 0 0 377.819 2.910 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)nc2Cl)C12CCOCC2 ZINC000185148587 552355371 /nfs/dbraw/zinc/35/53/71/552355371.db2.gz CKVFLYASBIQQEA-RYUDHWBXSA-N 0 0 395.308 2.641 10 0 GFAERN CC[C@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CCN1C[C@@H](C)O ZINC000185792748 552370669 /nfs/dbraw/zinc/37/06/69/552370669.db2.gz XTBBPUNSINUFDS-OLZOCXBDSA-N 0 0 392.974 2.528 10 0 GFAERN C[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)C[C@@H](C)O1 ZINC000186173647 552381155 /nfs/dbraw/zinc/38/11/55/552381155.db2.gz JAHNRWBSGCAPSN-HTQZYQBOSA-N 0 0 378.064 2.856 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)c1cccc(Br)c1 ZINC000186314350 552385041 /nfs/dbraw/zinc/38/50/41/552385041.db2.gz QJZHHLMWPKDGLD-SECBINFHSA-N 0 0 394.241 2.950 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000186387671 552386830 /nfs/dbraw/zinc/38/68/30/552386830.db2.gz UDDHVAFEVKNQGH-OAHLLOKOSA-N 0 0 391.212 2.693 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)c2ccc(Br)c(O)c2)C12CCOCC2 ZINC000186453545 552388189 /nfs/dbraw/zinc/38/81/89/552388189.db2.gz XYJDNLVXDWIPNL-GJZGRUSLSA-N 0 0 384.270 2.859 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000186752701 552396838 /nfs/dbraw/zinc/39/68/38/552396838.db2.gz AGULRSXZTPXOFR-UHFFFAOYSA-N 0 0 395.308 2.553 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000186803033 552398367 /nfs/dbraw/zinc/39/83/67/552398367.db2.gz WPPALCRFVFPCJU-SNVBAGLBSA-N 0 0 387.274 2.963 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccc(C)c(Br)c3)CCO2)c1 ZINC000187885271 552427128 /nfs/dbraw/zinc/42/71/28/552427128.db2.gz VTEXYHMZHLODMR-INIZCTEOSA-N 0 0 392.297 2.733 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)Nc2cccc(Br)n2)C12CCOCC2 ZINC000188587893 552449193 /nfs/dbraw/zinc/44/91/93/552449193.db2.gz RZKLPPAXEXRAQQ-RYUDHWBXSA-N 0 0 384.274 2.940 10 0 GFAERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC000188852012 552457068 /nfs/dbraw/zinc/45/70/68/552457068.db2.gz XSKGZEHOHQDLTR-LLVKDONJSA-N 0 0 381.263 2.838 10 0 GFAERN Cc1noc([C@@H]2COCCN2CCOc2cc(F)cc(Br)c2)n1 ZINC000189378703 552470059 /nfs/dbraw/zinc/47/00/59/552470059.db2.gz LIOXGVYDSBBGQM-AWEZNQCLSA-N 0 0 386.221 2.732 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Nc3ccc(Br)nc3C)CCO2)cn1 ZINC000190120322 552487675 /nfs/dbraw/zinc/48/76/75/552487675.db2.gz GSFNBZNQERNNIA-CQSZACIVSA-N 0 0 394.273 2.974 10 0 GFAERN CN1CCO[C@H](CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)C1 ZINC000190746495 552507467 /nfs/dbraw/zinc/50/74/67/552507467.db2.gz MJRPBYCBVVEVOK-OAHLLOKOSA-N 0 0 375.296 2.845 10 0 GFAERN Cc1c(Br)cccc1CC(=O)N1CCCN(c2cccnn2)CC1 ZINC000191308447 552524011 /nfs/dbraw/zinc/52/40/11/552524011.db2.gz XXSHVCBKVZFBEM-UHFFFAOYSA-N 0 0 389.297 2.829 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)c3cc(Br)cnc3Cl)CCO2)cn1 ZINC000191718861 552535584 /nfs/dbraw/zinc/53/55/84/552535584.db2.gz HAYKIUTUWNNIBS-ZDUSSCGKSA-N 0 0 399.676 2.928 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)c3cc(Br)ncc3Cl)CCO2)cn1 ZINC000191712295 552535693 /nfs/dbraw/zinc/53/56/93/552535693.db2.gz RHOZFYRAGUBXLU-CYBMUJFWSA-N 0 0 399.676 2.928 10 0 GFAERN C[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@H]1N1CCOCC1 ZINC000191917064 552542867 /nfs/dbraw/zinc/54/28/67/552542867.db2.gz CAMGYCIVJRVLGE-WMLDXEAASA-N 0 0 393.325 2.660 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000192143811 552552961 /nfs/dbraw/zinc/55/29/61/552552961.db2.gz IBVHTGDLAOCUBK-UHFFFAOYSA-N 0 0 376.425 2.669 10 0 GFAERN CCc1nnc(CN(CCC(=O)OC)Cc2cccc(Br)c2)n1C ZINC000192328757 552560229 /nfs/dbraw/zinc/56/02/29/552560229.db2.gz JSCZGCDHDKSYMB-UHFFFAOYSA-N 0 0 395.301 2.705 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCc1ccc(Br)cc1Cl)C(C)C ZINC000192661746 552971330 /nfs/dbraw/zinc/97/13/30/552971330.db2.gz OKSRVJJGNFADSA-GFCCVEGCSA-N 0 0 376.682 2.672 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000193587895 552997548 /nfs/dbraw/zinc/99/75/48/552997548.db2.gz NBIIDWUMKXKGQU-TZMCWYRMSA-N 0 0 391.269 2.558 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3ccccc3OC(F)F)CCO2)n1 ZINC000193951705 553007766 /nfs/dbraw/zinc/00/77/66/553007766.db2.gz HSMXWDQWMIUUJZ-LBPRGKRZSA-N 0 0 390.433 2.815 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1csc2ccccc12 ZINC000194023457 553009756 /nfs/dbraw/zinc/00/97/56/553009756.db2.gz PQCFQDDOJJNZNJ-MRXNPFEDSA-N 0 0 380.535 2.764 10 0 GFAERN CCCCc1nnc(NC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000194137154 553012970 /nfs/dbraw/zinc/01/29/70/553012970.db2.gz WUAQPWMTUYSDPK-GFCCVEGCSA-N 0 0 380.495 2.921 10 0 GFAERN CS(=O)(=O)c1cc(C(=O)N[C@H]2COc3ccccc32)ccc1Br ZINC000194642663 553026118 /nfs/dbraw/zinc/02/61/18/553026118.db2.gz SEBARZYRHVXGDF-ZDUSSCGKSA-N 0 0 396.262 2.716 10 0 GFAERN C[C@H](NC(=O)c1ncccc1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000194880810 553032953 /nfs/dbraw/zinc/03/29/53/553032953.db2.gz HOVRGUOTNAWANY-JTQLQIEISA-N 0 0 383.267 2.739 10 0 GFAERN COc1cc(C(=O)N2CCN3CCCC[C@H]3C2)cc(OC)c1Br ZINC000195082552 553037479 /nfs/dbraw/zinc/03/74/79/553037479.db2.gz IKZOEJPOKODHNW-ZDUSSCGKSA-N 0 0 383.286 2.777 10 0 GFAERN Cc1csc([C@@H]2CN(CC(=O)NCCc3ccc(Cl)cc3)CCO2)n1 ZINC000195391267 553046627 /nfs/dbraw/zinc/04/66/27/553046627.db2.gz YKXFIUWOMMEWIE-INIZCTEOSA-N 0 0 379.913 2.837 10 0 GFAERN CC(C)n1nnnc1CS(=O)(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000195426000 553048516 /nfs/dbraw/zinc/04/85/16/553048516.db2.gz HYGOQVYQLWYFHJ-UHFFFAOYSA-N 0 0 381.458 2.632 10 0 GFAERN CNC(=O)c1c(I)oc2cc(N)c(Br)cc21 ZINC000219401878 553054397 /nfs/dbraw/zinc/05/43/97/553054397.db2.gz AGPIPJYWNQEADG-UHFFFAOYSA-N 0 0 394.994 2.742 10 0 GFAERN COC(=O)C(C)(C)n1cc(I)c2cnc(Cl)nc21 ZINC000219086890 553054459 /nfs/dbraw/zinc/05/44/59/553054459.db2.gz IRDANRAFTAPSEX-UHFFFAOYSA-N 0 0 379.585 2.597 10 0 GFAERN Cn1cc([C@H]2CCCN2[C@@H](C(N)=O)c2ccc(Br)cc2F)cn1 ZINC000245435182 553090626 /nfs/dbraw/zinc/09/06/26/553090626.db2.gz CSXKIDBIIOICGX-HUUCEWRRSA-N 0 0 381.249 2.685 10 0 GFAERN C[C@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000245661394 553094929 /nfs/dbraw/zinc/09/49/29/553094929.db2.gz GBZCHCCASSYCKZ-XJKSGUPXSA-N 0 0 380.838 2.786 10 0 GFAERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000245739717 553096100 /nfs/dbraw/zinc/09/61/00/553096100.db2.gz RIAVMOYBBYHKHY-FZVNPBSJSA-N 0 0 377.243 2.585 10 0 GFAERN C[C@@H](NC(=O)CN1CCC[C@@H](n2cncn2)C1)c1ccc(Br)cc1 ZINC000245818676 553097848 /nfs/dbraw/zinc/09/78/48/553097848.db2.gz KVMLQVOBQDKNAE-CZUORRHYSA-N 0 0 392.301 2.555 10 0 GFAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1c(=S)[nH]nc1-c1cccs1 ZINC000246937217 553115900 /nfs/dbraw/zinc/11/59/00/553115900.db2.gz KNTVSKPYWDJUNX-STQMWFEESA-N 0 0 377.539 2.754 10 0 GFAERN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247731060 553125085 /nfs/dbraw/zinc/12/50/85/553125085.db2.gz UPQVBXAJEMNCTC-IXDOHACOSA-N 0 0 390.281 2.677 10 0 GFAERN Cc1cccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)c1 ZINC000248324618 553128349 /nfs/dbraw/zinc/12/83/49/553128349.db2.gz ATKBTBCSSSAFRM-DOTOQJQBSA-N 0 0 380.535 2.797 10 0 GFAERN C[C@@H](NC(=O)CNC(=O)COc1ccccc1)c1cccc(Br)c1 ZINC000248382861 553128778 /nfs/dbraw/zinc/12/87/78/553128778.db2.gz YJKNBZFZYVDUOM-CYBMUJFWSA-N 0 0 391.265 2.822 10 0 GFAERN O[C@H](CN1CCCN(c2cccnn2)CC1)c1ccc(F)c(Br)c1 ZINC000248430165 553129415 /nfs/dbraw/zinc/12/94/15/553129415.db2.gz VKYWGVDYDWVLCP-MRXNPFEDSA-N 0 0 395.276 2.624 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)CSc2ccccc2Cl)C1 ZINC000262695979 553174184 /nfs/dbraw/zinc/17/41/84/553174184.db2.gz GIOMBKSWBPCXTE-UHFFFAOYSA-N 0 0 382.913 2.876 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000263465249 553188212 /nfs/dbraw/zinc/18/82/12/553188212.db2.gz CMQNLPHDMIQQER-ZDUSSCGKSA-N 0 0 380.794 2.576 10 0 GFAERN C[C@H](Cc1cccc(F)c1)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000301287789 563399357 /nfs/dbraw/zinc/39/93/57/563399357.db2.gz NNXPUAKVMMFLNH-GFCCVEGCSA-N 0 0 385.482 2.676 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NC[C@@H](O)c2c(Cl)cccc2Cl)ncn1 ZINC000301339350 563400681 /nfs/dbraw/zinc/40/06/81/563400681.db2.gz HOMOSBKNEFQNGL-SMDDNHRTSA-N 0 0 383.279 2.890 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCN(c3nnc(C4CC4)s3)CC2)c(C)c1 ZINC000301735833 563412007 /nfs/dbraw/zinc/41/20/07/563412007.db2.gz RBYPXKCCYHWECU-UHFFFAOYSA-N 0 0 378.523 2.543 10 0 GFAERN COC(=O)[C@]12CCC[C@H]1CN(c1ccccc1S(=O)(=O)C(F)(F)F)C2 ZINC000302065444 563419899 /nfs/dbraw/zinc/41/98/99/563419899.db2.gz ASASVRJLPBMHQT-NHYWBVRUSA-N 0 0 377.384 2.760 10 0 GFAERN CCOC(=O)N1CCC[C@H]([C@@H](C)Nc2ncc(Br)c(NC)n2)C1 ZINC000302538164 563426307 /nfs/dbraw/zinc/42/63/07/563426307.db2.gz NCLPKPTVCHYOFY-MNOVXSKESA-N 0 0 386.294 2.950 10 0 GFAERN CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)c1ccc(Br)s1 ZINC000328644965 563462588 /nfs/dbraw/zinc/46/25/88/563462588.db2.gz ZNRPEWJIBWZCHU-SNVBAGLBSA-N 0 0 390.328 2.590 10 0 GFAERN C[C@H]1CC(CNC(=O)c2cc(I)ccc2O)C[C@H](C)O1 ZINC000436747737 563679034 /nfs/dbraw/zinc/67/90/34/563679034.db2.gz MYRSDJONEOZSBB-UWVGGRQHSA-N 0 0 389.233 2.930 10 0 GFAERN Cn1ncc(C(=O)N[C@@H]2CCCc3ccccc32)c1I ZINC000292651020 563792015 /nfs/dbraw/zinc/79/20/15/563792015.db2.gz KDOMNFXSJCMOGA-CYBMUJFWSA-N 0 0 381.217 2.832 10 0 GFAERN CNc1c(N)cnc2c(Br)cc(I)cc21 ZINC000584882327 565103247 /nfs/dbraw/zinc/10/32/47/565103247.db2.gz CKLYKDGKXASOLV-UHFFFAOYSA-N 0 0 378.011 2.648 10 0 GFAERN CCc1ccc2cc3c(nc2c1)-c1cc2c(c(=O)n1C3)COC(=O)[C@]2(O)CC ZINC000022058784 570303617 /nfs/dbraw/zinc/30/36/17/570303617.db2.gz SGXXQRSXMWIURP-QFIPXVFZSA-N 0 0 376.412 2.642 10 0 in-vitro GFAERN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cc2ccccc2[nH]1 ZINC000089274382 570427545 /nfs/dbraw/zinc/42/75/45/570427545.db2.gz ISVVPOBBTIXSRA-HXUWFJFHSA-N 0 0 397.500 2.561 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)c1ccc(Cl)s1 ZINC000041758716 654630862 /nfs/dbraw/zinc/63/08/62/654630862.db2.gz BSJXTHNWNRQSMD-JTQLQIEISA-N 0 0 379.869 2.919 10 0 GFAERN O=C(NCCOC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccncc1 ZINC000050206552 654718687 /nfs/dbraw/zinc/71/86/87/654718687.db2.gz GODXGTNDNRFVFC-CVEARBPZSA-N 0 0 389.249 2.921 10 0 GFAERN O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCSc2ncccc21 ZINC000122178587 654730555 /nfs/dbraw/zinc/73/05/55/654730555.db2.gz DEWLYEHVAJPPHL-UHFFFAOYSA-N 0 0 376.438 2.707 10 0 GFAERN CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(C)nn(C)c2Cl)C12CCCC2 ZINC000122501322 654738746 /nfs/dbraw/zinc/73/87/46/654738746.db2.gz ZUZYBAMMOQCSBA-CHWSQXEVSA-N 0 0 375.922 2.740 10 0 GFAERN O=S(=O)(/C=C/c1ccccc1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000123161119 654752335 /nfs/dbraw/zinc/75/23/35/654752335.db2.gz CBTCVRPHHQNYRX-GPZRYRNASA-N 0 0 383.535 2.809 10 0 GFAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000127191247 654825942 /nfs/dbraw/zinc/82/59/42/654825942.db2.gz UBPZFGDNFGIQHN-LLVKDONJSA-N 0 0 395.282 2.993 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1Cl)N1CCn2ccnc2C1 ZINC000062329715 654845111 /nfs/dbraw/zinc/84/51/11/654845111.db2.gz CDTFOIQLYXUYQE-UHFFFAOYSA-N 0 0 376.663 2.504 10 0 GFAERN O=C(Nc1ccccc1SC(F)(F)F)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130607281 654890510 /nfs/dbraw/zinc/89/05/10/654890510.db2.gz MDUXKKQGQNUIQJ-MNOVXSKESA-N 0 0 376.400 2.904 10 0 GFAERN CC[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)Cc1cccc(Br)c1 ZINC000132171777 654927618 /nfs/dbraw/zinc/92/76/18/654927618.db2.gz FNAHBAXNILXGPB-YOEHRIQHSA-N 0 0 398.345 2.648 10 0 GFAERN Cc1c(Br)cccc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000132267101 654931373 /nfs/dbraw/zinc/93/13/73/654931373.db2.gz SFKCAOQCFZVGET-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N[C@H]1CCc2ncnn2C1 ZINC000133648885 654969484 /nfs/dbraw/zinc/96/94/84/654969484.db2.gz WBHYWRQKRYQRFC-NSHDSACASA-N 0 0 375.845 2.587 10 0 GFAERN C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000134633687 654998560 /nfs/dbraw/zinc/99/85/60/654998560.db2.gz GQHJWVUETZDBJS-GHMZBOCLSA-N 0 0 382.404 2.769 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000102102535 655051011 /nfs/dbraw/zinc/05/10/11/655051011.db2.gz NJHVBSIATOWZGN-CYBMUJFWSA-N 0 0 386.279 2.839 10 0 GFAERN CCSc1nn(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c(=S)s1 ZINC000152635453 655060446 /nfs/dbraw/zinc/06/04/46/655060446.db2.gz DYBXGLWIFFZHDB-JTQLQIEISA-N 0 0 386.572 2.814 10 0 GFAERN O=C(Nc1cc(Br)ccc1N1CCOCC1)N[C@@H]1CCCC[C@@H]1O ZINC000103289839 655070507 /nfs/dbraw/zinc/07/05/07/655070507.db2.gz YWMBMJHZVLHNST-CJNGLKHVSA-N 0 0 398.301 2.711 10 0 GFAERN COC[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000103392318 655072115 /nfs/dbraw/zinc/07/21/15/655072115.db2.gz SRWVWKPIKFATID-LBPRGKRZSA-N 0 0 383.286 2.909 10 0 GFAERN C[C@@H](OC(=O)c1ccc(=O)n(C)c1)c1ccc(I)cc1 ZINC000103824741 655076484 /nfs/dbraw/zinc/07/64/84/655076484.db2.gz XZWRSHSBYFGADV-SNVBAGLBSA-N 0 0 383.185 2.908 10 0 GFAERN C[C@H]1CN(CCCNc2ccccc2S(=O)(=O)C(F)(F)F)C[C@H](C)O1 ZINC000106087842 655102053 /nfs/dbraw/zinc/10/20/53/655102053.db2.gz HUPHFIIUJUUOBF-STQMWFEESA-N 0 0 380.432 2.891 10 0 GFAERN Cc1ncc(CN2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)s1 ZINC000106091359 655102395 /nfs/dbraw/zinc/10/23/95/655102395.db2.gz YOUFSEXWNGGSFY-UHFFFAOYSA-N 0 0 378.929 2.539 10 0 GFAERN COCCN1CCN(Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1C ZINC000106109040 655103020 /nfs/dbraw/zinc/10/30/20/655103020.db2.gz DTXQGXJOBXVCNV-CYBMUJFWSA-N 0 0 395.301 2.652 10 0 GFAERN C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@H](Cn2cncn2)C1 ZINC000106173345 655104445 /nfs/dbraw/zinc/10/44/45/655104445.db2.gz TUXWWLSTAVUIIV-KGLIPLIRSA-N 0 0 392.301 2.780 10 0 GFAERN Brc1cccc(-c2noc(CN3CCC[C@H](n4cncn4)C3)n2)c1 ZINC000106218999 655105028 /nfs/dbraw/zinc/10/50/28/655105028.db2.gz DMSBGPDNTRPDFV-AWEZNQCLSA-N 0 0 389.257 2.928 10 0 GFAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3Cl)CCO2)c1 ZINC000106198483 655105035 /nfs/dbraw/zinc/10/50/35/655105035.db2.gz YTFFEUPXKMKYIR-CQSZACIVSA-N 0 0 383.279 2.838 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1 ZINC000106368209 655107585 /nfs/dbraw/zinc/10/75/85/655107585.db2.gz GLEOUMLMSIBXKH-NSHDSACASA-N 0 0 378.483 2.593 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000106396778 655107818 /nfs/dbraw/zinc/10/78/18/655107818.db2.gz MLPCAESZSAAINM-LBPRGKRZSA-N 0 0 375.694 2.631 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)Cc3cccc(Br)c3)CC2)nn1 ZINC000109635811 655149568 /nfs/dbraw/zinc/14/95/68/655149568.db2.gz DYZXPEBTBRGOQH-UHFFFAOYSA-N 0 0 389.297 2.829 10 0 GFAERN CC(=O)N1CSC[C@H]1C(=O)N1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000110512853 655156189 /nfs/dbraw/zinc/15/61/89/655156189.db2.gz PDPOKAJZAMTGSK-HOTGVXAUSA-N 0 0 382.913 2.940 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(Br)cc3F)CCO2)n1 ZINC000110899079 655161415 /nfs/dbraw/zinc/16/14/15/655161415.db2.gz BOZBFHCPVDBAAM-AWEZNQCLSA-N 0 0 396.260 2.943 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(Br)cs3)CCO2)n1 ZINC000110898670 655161443 /nfs/dbraw/zinc/16/14/43/655161443.db2.gz ZKAKQDPEDGAZRG-ZDUSSCGKSA-N 0 0 384.299 2.865 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3ccccc3Br)CCO2)n1 ZINC000110905811 655161670 /nfs/dbraw/zinc/16/16/70/655161670.db2.gz LCXHIWJICPQAEJ-INIZCTEOSA-N 0 0 392.297 2.733 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111078626 655164049 /nfs/dbraw/zinc/16/40/49/655164049.db2.gz HVCAMINGFNIEFE-OCCSQVGLSA-N 0 0 384.263 2.885 10 0 GFAERN O=S(=O)(c1ccccc1C(F)(F)F)N1CCO[C@@H](c2nccs2)C1 ZINC000111344029 655169424 /nfs/dbraw/zinc/16/94/24/655169424.db2.gz BNNVFZVHIDSOAC-LLVKDONJSA-N 0 0 378.397 2.924 10 0 GFAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(Br)c2)ncn1 ZINC000173407888 655170494 /nfs/dbraw/zinc/17/04/94/655170494.db2.gz YVBYHGLRXWHKBU-AWEZNQCLSA-N 0 0 390.285 2.680 10 0 GFAERN O=C(NCCc1ccc(Cl)cc1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000111793064 655177408 /nfs/dbraw/zinc/17/74/08/655177408.db2.gz NHRALAMXHUOGBG-HNNXBMFYSA-N 0 0 383.279 2.843 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc(Br)c(F)c3)CCO2)c1 ZINC000112061042 655181287 /nfs/dbraw/zinc/18/12/87/655181287.db2.gz BBRFPAAHKOZZQQ-CYBMUJFWSA-N 0 0 382.233 2.634 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)COc3ccc(Cl)cc3Cl)CCO2)c1 ZINC000112067750 655181521 /nfs/dbraw/zinc/18/15/21/655181521.db2.gz NIXDTRQRJLGEEQ-CQSZACIVSA-N 0 0 384.263 2.805 10 0 GFAERN O=C(Nc1c(F)cc(Br)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000173905877 655184705 /nfs/dbraw/zinc/18/47/05/655184705.db2.gz LEKMNAKLTMVFED-LLVKDONJSA-N 0 0 390.228 2.666 10 0 GFAERN O=C(N[C@H]1CCc2c1cccc2Br)N1CC[C@H](N2CCOCC2)C1 ZINC000173908019 655184857 /nfs/dbraw/zinc/18/48/57/655184857.db2.gz XJCKUEMSTWWBQH-GUYCJALGSA-N 0 0 394.313 2.553 10 0 GFAERN CN1CCO[C@@H](CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000113336801 655208274 /nfs/dbraw/zinc/20/82/74/655208274.db2.gz SUGIIDYOVUQGCU-HNNXBMFYSA-N 0 0 382.327 2.993 10 0 GFAERN C[C@@H](NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCO1 ZINC000174954139 655211360 /nfs/dbraw/zinc/21/13/60/655211360.db2.gz DGLWTWLEPCVJLR-BXKDBHETSA-N 0 0 381.782 2.999 10 0 GFAERN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000175314580 655220106 /nfs/dbraw/zinc/22/01/06/655220106.db2.gz DTVHRFFPJOKPBP-BXUZGUMPSA-N 0 0 389.279 2.514 10 0 GFAERN O=C(N[C@H]1CCCn2ncnc21)c1[nH]nc(-c2ccccc2)c1Br ZINC000175711377 655225896 /nfs/dbraw/zinc/22/58/96/655225896.db2.gz AGLMPGIZFGYPFS-NSHDSACASA-N 0 0 387.241 2.696 10 0 GFAERN O=C(CCNS(=O)(=O)c1cccs1)N1CCCC[C@H]1c1nccs1 ZINC000115366520 655236445 /nfs/dbraw/zinc/23/64/45/655236445.db2.gz ZBNPOQUHMCSTNG-LBPRGKRZSA-N 0 0 385.536 2.627 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)/C=C/c3ccc(I)o3)C2)cn1 ZINC000116116297 655244160 /nfs/dbraw/zinc/24/41/60/655244160.db2.gz TZQZMOAEVKDJQH-TZNOJPMFSA-N 0 0 397.216 2.647 10 0 GFAERN C[C@@H](Oc1ccccc1Br)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116119951 655244216 /nfs/dbraw/zinc/24/42/16/655244216.db2.gz MECBAWFFKSONMU-CHWSQXEVSA-N 0 0 378.270 2.966 10 0 GFAERN CCOCCN1CCN(C(=O)CCc2ccc(Br)cc2)C[C@H]1C ZINC000176418738 655244836 /nfs/dbraw/zinc/24/48/36/655244836.db2.gz AGRUSXACBRYSPK-OAHLLOKOSA-N 0 0 383.330 2.951 10 0 GFAERN Cc1oc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1S(=O)(=O)N(C)C ZINC000176527445 655249529 /nfs/dbraw/zinc/24/95/29/655249529.db2.gz PJUVJNZASOCLOC-QWRGUYRKSA-N 0 0 382.404 2.689 10 0 GFAERN Cc1oc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1S(=O)(=O)N(C)C ZINC000176527429 655249547 /nfs/dbraw/zinc/24/95/47/655249547.db2.gz PJUVJNZASOCLOC-WDEREUQCSA-N 0 0 382.404 2.689 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3c(F)cccc3Br)CC2)no1 ZINC000176604792 655251024 /nfs/dbraw/zinc/25/10/24/655251024.db2.gz DHUZEVYQIOTARB-UHFFFAOYSA-N 0 0 397.248 2.628 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000176746406 655254738 /nfs/dbraw/zinc/25/47/38/655254738.db2.gz GMHGBRJQQBIPSK-NSHDSACASA-N 0 0 380.779 2.764 10 0 GFAERN CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccs1 ZINC000176931185 655262331 /nfs/dbraw/zinc/26/23/31/655262331.db2.gz PGEUYDOBUHILTL-LBPRGKRZSA-N 0 0 380.491 2.746 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000177006142 655264749 /nfs/dbraw/zinc/26/47/49/655264749.db2.gz IIYIYEOBYOIFAT-RCQQVGEISA-N 0 0 397.298 2.774 10 0 GFAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000117521437 655265415 /nfs/dbraw/zinc/26/54/15/655265415.db2.gz XVCXGYSMJTVXTA-GFCCVEGCSA-N 0 0 388.295 2.501 10 0 GFAERN O=S(=O)(Cc1cccc2cccnc21)N1CCO[C@H](c2nccs2)C1 ZINC000117921221 655269738 /nfs/dbraw/zinc/26/97/38/655269738.db2.gz AALSSWANDPQFDZ-HNNXBMFYSA-N 0 0 375.475 2.595 10 0 GFAERN COc1cc(Br)c(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1OC ZINC000177270938 655272085 /nfs/dbraw/zinc/27/20/85/655272085.db2.gz ZLKJHFHBKHFLRS-BBRMVZONSA-N 0 0 399.329 2.619 10 0 GFAERN Cc1ccc(OCCC(=O)N[C@@H]2CCCn3ncnc32)c(Br)c1 ZINC000177579399 655282441 /nfs/dbraw/zinc/28/24/41/655282441.db2.gz ORGJWXVPPTXCBS-CYBMUJFWSA-N 0 0 379.258 2.769 10 0 GFAERN CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000118818049 655282593 /nfs/dbraw/zinc/28/25/93/655282593.db2.gz FATWPASMPZUYKM-CYBMUJFWSA-N 0 0 384.274 2.932 10 0 GFAERN CO[C@@]1(C(=O)Nc2cc(I)ccc2Cl)CCOC1 ZINC000276740839 655285751 /nfs/dbraw/zinc/28/57/51/655285751.db2.gz RUMMDGXMBZLDLW-LBPRGKRZSA-N 0 0 381.597 2.689 10 0 GFAERN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)C[C@@H]1N1CCOCC1 ZINC000177760001 655287802 /nfs/dbraw/zinc/28/78/02/655287802.db2.gz UKWLHNPVHKCGHM-ABAIWWIYSA-N 0 0 386.265 2.773 10 0 GFAERN COC(=O)CN(C[C@H](O)COc1cccc(Br)c1)C1CCCC1 ZINC000177885399 655290245 /nfs/dbraw/zinc/29/02/45/655290245.db2.gz ZUGROOJUZRRYBI-HNNXBMFYSA-N 0 0 386.286 2.606 10 0 GFAERN CCn1cc(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1=O ZINC000119232537 655294243 /nfs/dbraw/zinc/29/42/43/655294243.db2.gz CXPZJWHYPQEERI-SNVBAGLBSA-N 0 0 382.247 2.991 10 0 GFAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000119390524 655302253 /nfs/dbraw/zinc/30/22/53/655302253.db2.gz RKFRUCLJQSEASS-SECBINFHSA-N 0 0 379.214 2.698 10 0 GFAERN Cc1cc(N2CCC[C@H](NCc3ccc(F)cc3Br)C2=O)n(C)n1 ZINC000178628334 655306323 /nfs/dbraw/zinc/30/63/23/655306323.db2.gz VMGIQMIQYXKYNE-HNNXBMFYSA-N 0 0 395.276 2.915 10 0 GFAERN C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1cccnc1Br ZINC000179796014 655317575 /nfs/dbraw/zinc/31/75/75/655317575.db2.gz MMADOZIFMNEYSO-LBPRGKRZSA-N 0 0 392.253 2.504 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1cccnc1Br)CC2 ZINC000119980144 655323805 /nfs/dbraw/zinc/32/38/05/655323805.db2.gz FHTDJGXWOLTJGO-JTQLQIEISA-N 0 0 379.262 2.696 10 0 GFAERN COC(=O)[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000120118067 655328214 /nfs/dbraw/zinc/32/82/14/655328214.db2.gz YCOHBJQTRNGBDV-HNNXBMFYSA-N 0 0 398.278 2.783 10 0 GFAERN Cn1nc(Br)cc1C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000190417076 655391870 /nfs/dbraw/zinc/39/18/70/655391870.db2.gz FPCHKCGHNDLYIR-AWEZNQCLSA-N 0 0 394.269 2.995 10 0 GFAERN Cc1csc([C@@H]2CN(Cn3ncn(CC(F)(F)F)c3=S)CCO2)n1 ZINC000195293780 655419769 /nfs/dbraw/zinc/41/97/69/655419769.db2.gz XRLZGPVKVLUZCP-JTQLQIEISA-N 0 0 379.433 2.772 10 0 GFAERN O=c1c(Cl)c(Cl)cnn1CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195498351 655420970 /nfs/dbraw/zinc/42/09/70/655420970.db2.gz MJVZCLCVXPZDAG-LBPRGKRZSA-N 0 0 383.283 2.663 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000263555393 655452692 /nfs/dbraw/zinc/45/26/92/655452692.db2.gz NWKYOPMNXRACPH-UHFFFAOYSA-N 0 0 378.270 2.983 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000702798841 655521925 /nfs/dbraw/zinc/52/19/25/655521925.db2.gz VTPBIZRWOKUINU-YGRLFVJLSA-N 0 0 389.279 2.951 10 0 GFAERN Cc1nc(CN2CCC(C(=O)N3CCCC3(C)C)([S@](C)=O)CC2)cs1 ZINC000886088477 663103102 /nfs/dbraw/zinc/10/31/02/663103102.db2.gz HIWQHYMCMLZSTJ-VWLOTQADSA-N 0 0 383.583 2.566 10 0 GFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3nc(Br)c[nH]3)C[C@@H]21 ZINC000893568322 663415999 /nfs/dbraw/zinc/41/59/99/663415999.db2.gz UBXBQNGZEULSIK-SDDRHHMPSA-N 0 0 385.306 2.907 10 0 GFAERN O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCC[C@@H](n2cncn2)C1 ZINC000900576586 663717291 /nfs/dbraw/zinc/71/72/91/663717291.db2.gz DZQDPJNWVAVCGO-CQSZACIVSA-N 0 0 388.269 2.928 10 0 GFAERN CC(C)(C)c1nn2c(nnc2SCC(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000005144268 204115608 /nfs/dbraw/zinc/11/56/08/204115608.db2.gz AULHVHWJQQKEFE-UHFFFAOYSA-N 0 0 377.857 2.739 10 0 GFAERN CCc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(Cl)c3)c2N)cc1 ZINC000006753917 204200817 /nfs/dbraw/zinc/20/08/17/204200817.db2.gz MGNCEGHFPDTXCX-UHFFFAOYSA-N 0 0 398.854 2.967 10 0 GFAERN Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000008308020 204270579 /nfs/dbraw/zinc/27/05/79/204270579.db2.gz BEBOHUNYMAUVCW-UHFFFAOYSA-N 0 0 388.489 2.634 10 0 GFAERN CCOC(=O)c1n[nH]cc1[C@@H]1C[C@H]2CN(c3ccccc3)C(=O)[C@]23CCCN13 ZINC000011817358 204354159 /nfs/dbraw/zinc/35/41/59/204354159.db2.gz GTKPTEVFKQYKPT-LFRPXUGBSA-N 0 0 380.448 2.529 10 0 GFAERN CCN(Cc1cnn(C)c1)C(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000011874397 204359785 /nfs/dbraw/zinc/35/97/85/204359785.db2.gz HCZCMOLPFCTBLD-UHFFFAOYSA-N 0 0 376.363 2.928 10 0 GFAERN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)C1=O ZINC000012021175 204366885 /nfs/dbraw/zinc/36/68/85/204366885.db2.gz AFOQMILYSDULQJ-IFXJQAMLSA-N 0 0 398.484 2.807 10 0 GFAERN Cc1csc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)n1 ZINC000012024780 204367701 /nfs/dbraw/zinc/36/77/01/204367701.db2.gz FFNUHCCIYHYKIR-QMMMGPOBSA-N 0 0 399.881 2.670 10 0 GFAERN COc1ccccc1NC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl ZINC000012206393 204384106 /nfs/dbraw/zinc/38/41/06/204384106.db2.gz CLCPWQOJHIOZNR-UHFFFAOYSA-N 0 0 394.836 2.667 10 0 GFAERN Cc1ccc(NC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1C ZINC000020901515 204743950 /nfs/dbraw/zinc/74/39/50/204743950.db2.gz IFGQNSBHXFAQQU-HNNXBMFYSA-N 0 0 385.493 2.889 10 0 GFAERN CC(C)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COC(C)(C)C ZINC000036158968 205007598 /nfs/dbraw/zinc/00/75/98/205007598.db2.gz KCAAJVCUCWDNLC-CYBMUJFWSA-N 0 0 393.553 2.860 10 0 GFAERN O=C(c1ccc(F)cc1)N1CCN([C@@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036255757 205009692 /nfs/dbraw/zinc/00/96/92/205009692.db2.gz NAAJIIXWBIHRSM-HXUWFJFHSA-N 0 0 387.499 2.765 10 0 GFAERN CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/CO ZINC000036478403 205017505 /nfs/dbraw/zinc/01/75/05/205017505.db2.gz QTIDQWZUENCPMU-AATRIKPKSA-N 0 0 379.457 2.807 10 0 in-vitro GFAERN COCCN(C[C@H]1CN(C(=O)Nc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000037612407 205030242 /nfs/dbraw/zinc/03/02/42/205030242.db2.gz NFPNLZFPFAZJGZ-FQEVSTJZSA-N 0 0 397.475 2.708 10 0 GFAERN CCOC(=O)C1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 ZINC000058160457 205166426 /nfs/dbraw/zinc/16/64/26/205166426.db2.gz MHLGGQNODABQGD-LBPRGKRZSA-N 0 0 389.521 2.885 10 0 GFAERN COc1ccc(-c2cc3n(n2)CCC(=O)N3CC(=O)N2CCCC[C@H]2C)cc1 ZINC000064817798 205196882 /nfs/dbraw/zinc/19/68/82/205196882.db2.gz IWPUSCTWVNSDHX-OAHLLOKOSA-N 0 0 382.464 2.696 10 0 GFAERN O=C(CN1c2cc(F)ccc2C(=O)N2CCC[C@@H]2C1=O)Nc1ccc(F)cc1 ZINC000065307005 205229682 /nfs/dbraw/zinc/22/96/82/205229682.db2.gz GDGPFMONDQZEMO-MRXNPFEDSA-N 0 0 385.370 2.555 10 0 GFAERN COCC1(C(=O)N2CCCn3nc(C(=O)Nc4ccccc4)cc3C2)CCC1 ZINC000065404443 205233314 /nfs/dbraw/zinc/23/33/14/205233314.db2.gz ZTEYLIHWZZPLOW-UHFFFAOYSA-N 0 0 382.464 2.684 10 0 GFAERN Cc1nc(CN(C)Cc2ccc(C(=O)Nc3ccc4c(c3)CC(=O)N4)cc2)no1 ZINC000065395651 205233584 /nfs/dbraw/zinc/23/35/84/205233584.db2.gz XYOMQLLYJCGBLA-UHFFFAOYSA-N 0 0 391.431 2.757 10 0 GFAERN COc1cc(OC)c(NC(=O)NCc2cc(C)nc(N(C)C)n2)cc1Cl ZINC000224233735 206015956 /nfs/dbraw/zinc/01/59/56/206015956.db2.gz WDORSNZZWKAMSV-UHFFFAOYSA-N 0 0 379.848 2.843 10 0 GFAERN COc1ccc(/C=C/C(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1OC ZINC000224353421 206019792 /nfs/dbraw/zinc/01/97/92/206019792.db2.gz UUFYJMIVOFFPBD-CSKARUKUSA-N 0 0 397.479 2.812 10 0 GFAERN Cc1cccc(CNC(=O)CN2c3c(C)cccc3C(=O)N3CCC[C@H]3C2=O)c1 ZINC000065306890 206105409 /nfs/dbraw/zinc/10/54/09/206105409.db2.gz OCRNIEXHAJVVSC-IBGZPJMESA-N 0 0 391.471 2.571 10 0 GFAERN O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1)Nc1ccccc1 ZINC000096296357 206121769 /nfs/dbraw/zinc/12/17/69/206121769.db2.gz NKUNDZYYCRTQOM-INIZCTEOSA-N 0 0 392.415 2.999 10 0 GFAERN CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000098091596 206125291 /nfs/dbraw/zinc/12/52/91/206125291.db2.gz HEPWCOHMSQJSLO-HZPDHXFCSA-N 0 0 392.452 2.711 10 0 GFAERN Cc1noc(C)c1CC(=O)N1CCOc2ccc([C@H](O)c3ccccn3)cc2C1 ZINC000299756738 206185326 /nfs/dbraw/zinc/18/53/26/206185326.db2.gz FEXYDYXZOOPXQE-QFIPXVFZSA-N 0 0 393.443 2.732 10 0 GFAERN COC(=O)Cc1nn(Cc2cccc(Br)c2)c(=O)c2ccccc12 ZINC000040384850 206192839 /nfs/dbraw/zinc/19/28/39/206192839.db2.gz UJXQLSUJBQCGGZ-UHFFFAOYSA-N 0 0 387.233 2.923 10 0 GFAERN CCCn1cnc2nc(COc3ccccc3NC(=O)c3ccco3)cc(=O)n21 ZINC000041077137 206195338 /nfs/dbraw/zinc/19/53/38/206195338.db2.gz SBMXNDACCDWZOA-UHFFFAOYSA-N 0 0 393.403 2.725 10 0 GFAERN Cc1ccc(Nc2ncnc(N3CCN(c4ccccc4F)CC3)c2N)nc1 ZINC000040798834 132407257 /nfs/dbraw/zinc/40/72/57/132407257.db2.gz KPWFRPICUCUDJV-UHFFFAOYSA-N 0 0 379.443 2.972 10 0 GFAERN COCCn1cc(CC(=O)N2CCN(c3ccc(C)cc3)CC2)c2cccnc21 ZINC000065156251 136159652 /nfs/dbraw/zinc/15/96/52/136159652.db2.gz MZDUJVUSAARLOT-UHFFFAOYSA-N 0 0 392.503 2.882 10 0 GFAERN Cc1ncnc(N2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)c1C ZINC000091474228 136176505 /nfs/dbraw/zinc/17/65/05/136176505.db2.gz MGWIFGZAANATHT-UHFFFAOYSA-N 0 0 382.512 2.589 10 0 GFAERN CC(C)Cc1ncc2c(n1)CN(C(=O)Nc1ccc3c(c1)OCC(=O)N3C)C2 ZINC000095513036 136180636 /nfs/dbraw/zinc/18/06/36/136180636.db2.gz QIKWTLRVMFFDSR-UHFFFAOYSA-N 0 0 381.436 2.578 10 0 GFAERN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(Br)o1 ZINC000224300572 136206663 /nfs/dbraw/zinc/20/66/63/136206663.db2.gz INTWMCOKXGBMIW-UHFFFAOYSA-N 0 0 381.230 2.538 10 0 GFAERN Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc(N3CCOCC3)nc2C)c(C)c1 ZINC000224303354 136206719 /nfs/dbraw/zinc/20/67/19/136206719.db2.gz AMTHACOXXNPWHB-UHFFFAOYSA-N 0 0 390.509 2.656 10 0 GFAERN COc1ccc(Cn2c(=O)c3sccc3nc2N2CCC(O)CC2)cc1F ZINC000057344638 524255638 /nfs/dbraw/zinc/25/56/38/524255638.db2.gz IQFGZFFKEPGXHU-UHFFFAOYSA-N 0 0 389.452 2.615 10 0 GFAERN CCn1c(C)nc2c1CN(CC(=O)NCCCN1CCCc3ccccc31)CC2 ZINC000065293072 535971518 /nfs/dbraw/zinc/97/15/18/535971518.db2.gz WQARVOHGDLDTCG-UHFFFAOYSA-N 0 0 395.551 2.529 10 0 GFAERN CN1CCN(c2ncc(NC(=O)Nc3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000224266856 536427359 /nfs/dbraw/zinc/42/73/59/536427359.db2.gz HYFKCMIWCMAJJO-UHFFFAOYSA-N 0 0 380.374 2.891 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000015358987 551110932 /nfs/dbraw/zinc/11/09/32/551110932.db2.gz GMVVXHMWULUFPJ-JTQLQIEISA-N 0 0 391.873 2.922 10 0 GFAERN C[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 ZINC000024688556 551119663 /nfs/dbraw/zinc/11/96/63/551119663.db2.gz YUBSJXPTXBUFLV-JTQLQIEISA-N 0 0 398.282 2.979 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCSc1ccc(Cl)cc1 ZINC000028440324 551123886 /nfs/dbraw/zinc/12/38/86/551123886.db2.gz WUJZXEFHHQEMCO-OAHLLOKOSA-N 0 0 390.958 2.753 10 0 GFAERN CCN(C1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000066907919 551187883 /nfs/dbraw/zinc/18/78/83/551187883.db2.gz MKZGZCPZZLQHGB-ZDUSSCGKSA-N 0 0 387.933 2.857 10 0 GFAERN Cc1ccc([C@@H](C)NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)o1 ZINC000119438913 551216010 /nfs/dbraw/zinc/21/60/10/551216010.db2.gz XNAUARNPTOVNHT-GFCCVEGCSA-N 0 0 385.873 2.580 10 0 GFAERN O=C(Cc1ccccc1I)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119624703 551217815 /nfs/dbraw/zinc/21/78/15/551217815.db2.gz FEENAKASBHRNFM-RHSMWYFYSA-N 0 0 399.272 2.987 10 0 GFAERN CCc1ccc([C@@H](C)NC(=O)NCCNS(=O)(=O)c2cccs2)cc1 ZINC000119662085 551218448 /nfs/dbraw/zinc/21/84/48/551218448.db2.gz PNZKMGBFNFIKTQ-CYBMUJFWSA-N 0 0 381.523 2.649 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc3c(cccc3Br)[nH]2)n1 ZINC000120959144 551223752 /nfs/dbraw/zinc/22/37/52/551223752.db2.gz JPSDYSVGTQRCBV-AWEZNQCLSA-N 0 0 391.225 2.836 10 0 GFAERN Cc1noc([C@@H](C)N2CCN(Cc3cc(O)ccc3Br)CC2)n1 ZINC000121321878 551231641 /nfs/dbraw/zinc/23/16/41/551231641.db2.gz QNIDMZRCGKYKHX-LLVKDONJSA-N 0 0 381.274 2.725 10 0 GFAERN Cc1cc(S(=O)(=O)N2CCC(Nc3cccnn3)CC2)c(Cl)cc1F ZINC000121467995 551235316 /nfs/dbraw/zinc/23/53/16/551235316.db2.gz KERGGVROXFYEJN-UHFFFAOYSA-N 0 0 384.864 2.843 10 0 GFAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000121688824 551239769 /nfs/dbraw/zinc/23/97/69/551239769.db2.gz UVANMUHKPZSVSZ-FZKQIMNGSA-N 0 0 385.913 2.901 10 0 GFAERN Cc1ccc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)c(Br)c1 ZINC000121743453 551241452 /nfs/dbraw/zinc/24/14/52/551241452.db2.gz MLJYGZVFNDVKFI-NSHDSACASA-N 0 0 399.314 2.725 10 0 GFAERN CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123072070 551302431 /nfs/dbraw/zinc/30/24/31/551302431.db2.gz KFFNEJCKXGXQSI-AWEZNQCLSA-N 0 0 391.269 2.599 10 0 GFAERN O=C(Nc1ccccc1Br)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123386119 551306081 /nfs/dbraw/zinc/30/60/81/551306081.db2.gz OSUHCNBUOYFPGM-SJCJKPOMSA-N 0 0 381.270 2.541 10 0 GFAERN COCCn1cc(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000124866461 551318447 /nfs/dbraw/zinc/31/84/47/551318447.db2.gz VMWASGIYHRQAQS-SNVBAGLBSA-N 0 0 385.251 2.652 10 0 GFAERN COc1cc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)sc1Br ZINC000126740036 551332487 /nfs/dbraw/zinc/33/24/87/551332487.db2.gz ZWLQJDIJWAOGMU-VIFPVBQESA-N 0 0 399.314 2.979 10 0 GFAERN CC(C)CC(=O)N[C@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C(C)C ZINC000127036003 551335978 /nfs/dbraw/zinc/33/59/78/551335978.db2.gz FKNZZTDMYWUUSP-INIZCTEOSA-N 0 0 388.917 2.869 10 0 GFAERN O=C(c1cc(Br)cnc1Cl)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127743076 551343926 /nfs/dbraw/zinc/34/39/26/551343926.db2.gz ZOPLJUCWORXVTE-SNVBAGLBSA-N 0 0 384.665 2.641 10 0 GFAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)c1ccccc1Br ZINC000131129746 551372919 /nfs/dbraw/zinc/37/29/19/551372919.db2.gz OGNHWXOGVUXEFY-SDDRHHMPSA-N 0 0 389.315 2.727 10 0 GFAERN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000151376589 551412337 /nfs/dbraw/zinc/41/23/37/551412337.db2.gz DVNVIJWZPFYRPR-YGRLFVJLSA-N 0 0 396.264 2.945 10 0 GFAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(C)c(F)c2)s1 ZINC000151595521 551417831 /nfs/dbraw/zinc/41/78/31/551417831.db2.gz NFHVJMLBCIKXET-NSHDSACASA-N 0 0 385.486 2.664 10 0 GFAERN COC(=O)c1coc(S(=O)(=O)N[C@@H](C)c2cccc(Br)c2)c1 ZINC000151738179 551420528 /nfs/dbraw/zinc/42/05/28/551420528.db2.gz BQLXNTPTWGHVTM-VIFPVBQESA-N 0 0 388.239 2.868 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C[C@@H](C)O1 ZINC000152067088 551425705 /nfs/dbraw/zinc/42/57/05/551425705.db2.gz INEMARLZGISSJA-RKDXNWHRSA-N 0 0 375.650 2.677 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000152754768 551438864 /nfs/dbraw/zinc/43/88/64/551438864.db2.gz MUQPLVOXNKIQBS-BDAKNGLRSA-N 0 0 397.298 2.807 10 0 GFAERN Cc1noc([C@H](C)N2CCN(C[C@H](O)c3ccccc3Br)CC2)n1 ZINC000152946390 551443057 /nfs/dbraw/zinc/44/30/57/551443057.db2.gz RFUWUWBKNSOGMU-LRDDRELGSA-N 0 0 395.301 2.553 10 0 GFAERN C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1ncccc1Br)c1ccccc1 ZINC000154319174 551472165 /nfs/dbraw/zinc/47/21/65/551472165.db2.gz TVZSYVNPSIFRDV-NEPJUHHUSA-N 0 0 397.294 2.884 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000154434046 551475239 /nfs/dbraw/zinc/47/52/39/551475239.db2.gz PAMIMSCGTWRQCZ-JTQLQIEISA-N 0 0 390.296 2.568 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(Br)c1 ZINC000154520319 551477010 /nfs/dbraw/zinc/47/70/10/551477010.db2.gz NDBPTSUINFEWNM-CYBMUJFWSA-N 0 0 378.274 2.937 10 0 GFAERN CS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000154653322 551480671 /nfs/dbraw/zinc/48/06/71/551480671.db2.gz ZFBANJWABUIODC-ZBFHGGJFSA-N 0 0 379.503 2.880 10 0 GFAERN NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000154690736 551480914 /nfs/dbraw/zinc/48/09/14/551480914.db2.gz UQCOIYPCIFVBOR-CJNGLKHVSA-N 0 0 394.244 2.663 10 0 GFAERN CCOc1cc(Br)ccc1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000154973225 551487638 /nfs/dbraw/zinc/48/76/38/551487638.db2.gz FUUJTUCTOMMFTG-AWEZNQCLSA-N 0 0 398.301 2.786 10 0 GFAERN COc1ccncc1NC(=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000155370038 551498617 /nfs/dbraw/zinc/49/86/17/551498617.db2.gz CGXJXNRYFFAYSV-SNVBAGLBSA-N 0 0 378.226 2.669 10 0 GFAERN CCN(C(=O)N[C@H](Cc1ccccc1)C(F)(F)F)[C@@H](C)CS(C)(=O)=O ZINC000155610047 551503889 /nfs/dbraw/zinc/50/38/89/551503889.db2.gz UIWHKBCFDYVACD-GXTWGEPZSA-N 0 0 380.432 2.625 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1ccc(=O)[nH]c1C)c1cccc(Br)c1 ZINC000156232028 551517787 /nfs/dbraw/zinc/51/77/87/551517787.db2.gz HGBNAGSJOWVOQQ-AWEZNQCLSA-N 0 0 393.237 2.892 10 0 GFAERN CCc1nnc([C@H]2CN(Cc3cc(OC)ccc3Br)CCO2)[nH]1 ZINC000156707252 551527223 /nfs/dbraw/zinc/52/72/23/551527223.db2.gz AYJOKDKDKZZOQB-CQSZACIVSA-N 0 0 381.274 2.712 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000157045482 551532497 /nfs/dbraw/zinc/53/24/97/551532497.db2.gz TYLMWQNRMBYEHP-NSHDSACASA-N 0 0 375.281 2.961 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000157060987 551532786 /nfs/dbraw/zinc/53/27/86/551532786.db2.gz UCKQCBXTOGJYJX-ZDUSSCGKSA-N 0 0 399.314 2.725 10 0 GFAERN CCS(=O)(=O)CCN(C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000158939763 551558624 /nfs/dbraw/zinc/55/86/24/551558624.db2.gz RONCZPSRLUXMPX-NSHDSACASA-N 0 0 377.304 2.586 10 0 GFAERN O=C(NCC1(c2cccc(Br)c2)CCCCC1)[C@@H]1COCCN1 ZINC000161694267 551597696 /nfs/dbraw/zinc/59/76/96/551597696.db2.gz YWLFDCROFFNVKW-INIZCTEOSA-N 0 0 381.314 2.756 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)CCCc3ccccc3Br)CCO2)[nH]1 ZINC000164065884 551624281 /nfs/dbraw/zinc/62/42/81/551624281.db2.gz SZLJKYUPZJQTIL-HNNXBMFYSA-N 0 0 393.285 2.798 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1nnc2n1CCCC2 ZINC000165499696 551629738 /nfs/dbraw/zinc/62/97/38/551629738.db2.gz DKHIHPAIHZKWRC-SECBINFHSA-N 0 0 382.251 2.737 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3ccc(Br)nc3)CCO2)n1 ZINC000166382040 551632088 /nfs/dbraw/zinc/63/20/88/551632088.db2.gz HXPATUHNPFYADV-CQSZACIVSA-N 0 0 394.273 2.590 10 0 GFAERN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCS[C@@H](C)C2)cc1 ZINC000170901763 551642945 /nfs/dbraw/zinc/64/29/45/551642945.db2.gz YGDAQAVYQJJTNH-LBPRGKRZSA-N 0 0 378.523 2.970 10 0 GFAERN CCN(C(C)=O)c1nc(CN2CCN(Cc3cnc(C)s3)CC2)cs1 ZINC000170941661 551643454 /nfs/dbraw/zinc/64/34/54/551643454.db2.gz BXGTWNJQMPFFER-UHFFFAOYSA-N 0 0 379.555 2.599 10 0 GFAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171432884 551655759 /nfs/dbraw/zinc/65/57/59/551655759.db2.gz SWJAOFATNBJMRE-MRXNPFEDSA-N 0 0 386.880 2.726 10 0 GFAERN O=C(CCSc1ccccc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767367 551686538 /nfs/dbraw/zinc/68/65/38/551686538.db2.gz JXYIXXQQBQCFHE-CQSZACIVSA-N 0 0 399.354 2.864 10 0 GFAERN C[C@@H](COCc1ccccc1)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000172966601 551690951 /nfs/dbraw/zinc/69/09/51/551690951.db2.gz BTADOHHXLXEGQV-AWEZNQCLSA-N 0 0 381.881 2.835 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)COc2ccc(C=O)cc2Br)cn1 ZINC000173060139 551694317 /nfs/dbraw/zinc/69/43/17/551694317.db2.gz VSVINIKGJMRAJH-OAHLLOKOSA-N 0 0 392.253 2.738 10 0 GFAERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2c[nH]c(=O)c(Br)c2)no1 ZINC000173085189 551694992 /nfs/dbraw/zinc/69/49/92/551694992.db2.gz RJGYBVJJIJISRC-NSHDSACASA-N 0 0 381.230 2.621 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)COc3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000173094542 551696160 /nfs/dbraw/zinc/69/61/60/551696160.db2.gz YFVYTCUAYPZCFX-ZDUSSCGKSA-N 0 0 385.251 2.653 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cccc(Br)c3C)CC2)no1 ZINC000173306396 552082897 /nfs/dbraw/zinc/08/28/97/552082897.db2.gz ATFGRZLMAHUKLE-UHFFFAOYSA-N 0 0 393.285 2.797 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)C[C@H]1N1CCOCC1 ZINC000173398804 552084909 /nfs/dbraw/zinc/08/49/09/552084909.db2.gz VSZAKLIHFXLJPJ-SJKOYZFVSA-N 0 0 392.297 2.723 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000173823420 552092331 /nfs/dbraw/zinc/09/23/31/552092331.db2.gz ACGIKIKDBJCNJH-ABAIWWIYSA-N 0 0 387.705 2.895 10 0 GFAERN C[C@@H](N[C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1c(Cl)ccc(F)c1Cl ZINC000173976443 552096315 /nfs/dbraw/zinc/09/63/15/552096315.db2.gz SKTVOZMMZLGZFL-ZJUUUORDSA-N 0 0 390.286 2.909 10 0 GFAERN Cc1cc(Br)ccc1CNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174831876 552111427 /nfs/dbraw/zinc/11/14/27/552111427.db2.gz XTDJMXQRUAUGOR-OAHLLOKOSA-N 0 0 378.274 2.896 10 0 GFAERN CC[C@@H]1CN(C(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)CCS1 ZINC000175006689 552113719 /nfs/dbraw/zinc/11/37/19/552113719.db2.gz QWZJHQJNMHVWQV-HZPDHXFCSA-N 0 0 383.583 2.967 10 0 GFAERN C[C@@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)s1 ZINC000175016274 552114247 /nfs/dbraw/zinc/11/42/47/552114247.db2.gz CROMZGFZVXUVSP-MNOVXSKESA-N 0 0 381.889 2.691 10 0 GFAERN Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)s1 ZINC000175216524 552118000 /nfs/dbraw/zinc/11/80/00/552118000.db2.gz JNSJHZIWPDZICA-QGZVFWFLSA-N 0 0 380.535 2.717 10 0 GFAERN C[C@@H]1CN([C@@H](CNS(=O)(=O)c2cccc(F)c2)c2cccs2)CCO1 ZINC000175221714 552118565 /nfs/dbraw/zinc/11/85/65/552118565.db2.gz BUNZSZJTIJHHMC-CJNGLKHVSA-N 0 0 384.498 2.628 10 0 GFAERN Cc1cc(Br)ccc1CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175774711 552128956 /nfs/dbraw/zinc/12/89/56/552128956.db2.gz DCSOZTJUENOQFD-PBHICJAKSA-N 0 0 396.329 2.620 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)CSc2ccncc2)N2CCOCC2)s1 ZINC000176570213 552142010 /nfs/dbraw/zinc/14/20/10/552142010.db2.gz LIHYZCNPKQVMFF-MRXNPFEDSA-N 0 0 377.535 2.733 10 0 GFAERN C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)c1cccs1 ZINC000178897253 552178940 /nfs/dbraw/zinc/17/89/40/552178940.db2.gz OUHNCKCMDWLROV-MRVPVSSYSA-N 0 0 389.296 2.649 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc(F)c(F)cc1I ZINC000179229853 552187935 /nfs/dbraw/zinc/18/79/35/552187935.db2.gz WCQJDOWNUUIYPR-AMIZOPFISA-N 0 0 395.187 2.850 10 0 GFAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000180267595 552219566 /nfs/dbraw/zinc/21/95/66/552219566.db2.gz RFUHCGNCXIKZJQ-GFCCVEGCSA-N 0 0 395.278 2.504 10 0 GFAERN CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1cccc(Cl)c1Cl)CC2 ZINC000180625221 552231844 /nfs/dbraw/zinc/23/18/44/552231844.db2.gz GDNUIVKPJUATFB-QLJPJBMISA-N 0 0 383.279 2.966 10 0 GFAERN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180971435 552241771 /nfs/dbraw/zinc/24/17/71/552241771.db2.gz GLEKMSBLBYIHJN-CYBMUJFWSA-N 0 0 389.308 2.827 10 0 GFAERN COCCN1CCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1C ZINC000181094721 552246543 /nfs/dbraw/zinc/24/65/43/552246543.db2.gz CHRJCUHUQJTCDQ-CXAGYDPISA-N 0 0 386.323 2.751 10 0 GFAERN COC(=O)C1(CNC(=O)N[C@@H](C)c2ccccc2Br)CCOCC1 ZINC000181546687 552260451 /nfs/dbraw/zinc/26/04/51/552260451.db2.gz HIFJPJSOLWKKNE-LBPRGKRZSA-N 0 0 399.285 2.779 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccc(Br)cc3C)CCO2)[nH]1 ZINC000182220316 552278537 /nfs/dbraw/zinc/27/85/37/552278537.db2.gz YVKAUSUGTILEQF-AWEZNQCLSA-N 0 0 393.285 2.581 10 0 GFAERN O=C(N[C@@H]1COc2ccccc21)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183339024 552306527 /nfs/dbraw/zinc/30/65/27/552306527.db2.gz LANJXRIDVGVLLY-CYBMUJFWSA-N 0 0 389.205 2.644 10 0 GFAERN COc1ccc(CN2CCOC[C@@H]2c2nc(C)no2)c(Br)c1OC ZINC000185080807 552353689 /nfs/dbraw/zinc/35/36/89/552353689.db2.gz WODMJAFNLPRSRU-GFCCVEGCSA-N 0 0 398.257 2.731 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2Cl)C12CCOCC2 ZINC000185151522 552355948 /nfs/dbraw/zinc/35/59/48/552355948.db2.gz YIPSLWPQIPFHJP-GJZGRUSLSA-N 0 0 377.865 2.732 10 0 GFAERN COCCN1CCN(C(=O)CCc2ccc(C)cc2Br)C[C@H]1C ZINC000185450708 552363660 /nfs/dbraw/zinc/36/36/60/552363660.db2.gz IIIGPRWBSWMNSJ-OAHLLOKOSA-N 0 0 383.330 2.869 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000186628725 552393114 /nfs/dbraw/zinc/39/31/14/552393114.db2.gz GPBYHLUPWHDNPV-UHFFFAOYSA-N 0 0 395.253 2.816 10 0 GFAERN C[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)c1ccccc1Br ZINC000186925257 552401533 /nfs/dbraw/zinc/40/15/33/552401533.db2.gz REXHLMXHOMXJOI-ZWNOBZJWSA-N 0 0 377.229 2.592 10 0 GFAERN O=C(Cc1ccc(F)cc1Br)N1CCCN(c2cccnn2)CC1 ZINC000187474809 552416669 /nfs/dbraw/zinc/41/66/69/552416669.db2.gz KAQQCZSANVXGCK-UHFFFAOYSA-N 0 0 393.260 2.660 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000188169301 552437486 /nfs/dbraw/zinc/43/74/86/552437486.db2.gz ASNPECXEAIUXFL-UHFFFAOYSA-N 0 0 393.285 2.914 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)c2cc(Br)c(C)[nH]c2=O)C12CCOCC2 ZINC000188268027 552440836 /nfs/dbraw/zinc/44/08/36/552440836.db2.gz WKZBXVZOBZGLLB-KBPBESRZSA-N 0 0 399.285 2.562 10 0 GFAERN C[C@H](NC(=O)c1nc(Br)ccc1Br)[C@H]1CCCO1 ZINC000188599901 552449709 /nfs/dbraw/zinc/44/97/09/552449709.db2.gz POMOJWAEDSZXMS-IONNQARKSA-N 0 0 378.064 2.904 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3cccc(Br)n3)C2)n1 ZINC000188611536 552449997 /nfs/dbraw/zinc/44/99/97/552449997.db2.gz RVUSQYLSOIMHFD-CYBMUJFWSA-N 0 0 393.289 2.997 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000188946096 552459050 /nfs/dbraw/zinc/45/90/50/552459050.db2.gz HXOJUFHTQUXKQZ-MRVPVSSYSA-N 0 0 379.176 2.819 10 0 GFAERN O=C(CCc1cc(Cl)ccc1Br)N1CC(NC(=O)C2CC2)C1 ZINC000189407830 552471061 /nfs/dbraw/zinc/47/10/61/552471061.db2.gz QBYWKSJALBPXHV-UHFFFAOYSA-N 0 0 385.689 2.772 10 0 GFAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1nc(Br)ccc1Br ZINC000189480603 552472460 /nfs/dbraw/zinc/47/24/60/552472460.db2.gz XDCXVJGMMPFBST-SCZZXKLOSA-N 0 0 392.091 2.888 10 0 GFAERN O=C(CCSc1ccccc1Br)N1CC(NC(=O)C2CC2)C1 ZINC000189481704 552472567 /nfs/dbraw/zinc/47/25/67/552472567.db2.gz QLTABQREJKUKIB-UHFFFAOYSA-N 0 0 383.311 2.668 10 0 GFAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(F)c(Br)c2)C1 ZINC000190042769 552486222 /nfs/dbraw/zinc/48/62/22/552486222.db2.gz VULOAJXVZHURQN-GWCFXTLKSA-N 0 0 384.205 2.882 10 0 GFAERN Cc1csc(C(=O)N2CCN3CCCC[C@H]3C2)c1I ZINC000190551042 552500958 /nfs/dbraw/zinc/50/09/58/552500958.db2.gz FMTIQLWRGBPBSV-NSHDSACASA-N 0 0 390.290 2.971 10 0 GFAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000190654430 552505026 /nfs/dbraw/zinc/50/50/26/552505026.db2.gz MPTYWBWUBFOPSQ-JSGCOSHPSA-N 0 0 387.343 2.970 10 0 GFAERN CC(=O)NC1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C1 ZINC000191507101 552530403 /nfs/dbraw/zinc/53/04/03/552530403.db2.gz NYKNTADESDGNFY-UHFFFAOYSA-N 0 0 390.237 2.597 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)C3(c4ccccc4Br)CC3)CCO2)[nH]1 ZINC000191914025 552542311 /nfs/dbraw/zinc/54/23/11/552542311.db2.gz RKOJEBMHHUWESF-AWEZNQCLSA-N 0 0 391.269 2.507 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C[C@H](C)O1 ZINC000191937057 552543333 /nfs/dbraw/zinc/54/33/33/552543333.db2.gz FDCROXRIFBGRPM-IUCAKERBSA-N 0 0 375.650 2.677 10 0 GFAERN CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCN1CCOC ZINC000192123020 552551799 /nfs/dbraw/zinc/55/17/99/552551799.db2.gz NONXOWWTTXBDHA-NSHDSACASA-N 0 0 391.256 2.910 10 0 GFAERN COC(=O)CCN(Cc1nnnn1C(C)C)Cc1cccc(Br)c1 ZINC000192328162 552560390 /nfs/dbraw/zinc/56/03/90/552560390.db2.gz KJTGFDKYWLDNMX-UHFFFAOYSA-N 0 0 396.289 2.582 10 0 GFAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000192697111 552971849 /nfs/dbraw/zinc/97/18/49/552971849.db2.gz KOFJQQZCUKZZGY-INIZCTEOSA-N 0 0 380.275 2.932 10 0 GFAERN COc1c(C)cc(S(=O)(=O)N2CCO[C@H](c3nc(C)cs3)C2)cc1C ZINC000193943713 553007531 /nfs/dbraw/zinc/00/75/31/553007531.db2.gz AJXFBRSHPSBYFM-HNNXBMFYSA-N 0 0 382.507 2.839 10 0 GFAERN COc1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000193944233 553007650 /nfs/dbraw/zinc/00/76/50/553007650.db2.gz UBEXTKYSJLOJNM-CYBMUJFWSA-N 0 0 388.898 2.876 10 0 GFAERN Cc1csc([C@H]2CN(C(=O)NCCOc3ncccc3Cl)CCO2)n1 ZINC000194323857 553017626 /nfs/dbraw/zinc/01/76/26/553017626.db2.gz MDHYJQLDVQJVFY-CYBMUJFWSA-N 0 0 382.873 2.662 10 0 GFAERN C[C@@H](NC(=O)c1cc(Br)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000194994371 553034919 /nfs/dbraw/zinc/03/49/19/553034919.db2.gz FDENQKRYOYYRGK-MRVPVSSYSA-N 0 0 389.296 2.649 10 0 GFAERN Cc1csc([C@@H]2CN(Cc3cc(=O)n4cc(Cl)ccc4n3)CCO2)n1 ZINC000195389737 553046581 /nfs/dbraw/zinc/04/65/81/553046581.db2.gz HELNBZPIAXSCFR-AWEZNQCLSA-N 0 0 376.869 2.686 10 0 GFAERN O=C(N[C@H]1CCC[C@H](O)C1)c1cc(Cl)ccc1I ZINC000225899626 553060816 /nfs/dbraw/zinc/06/08/16/553060816.db2.gz NNMJSGGGTIRALW-UWVGGRQHSA-N 0 0 379.625 2.978 10 0 GFAERN CC(C)[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC000228463863 553063289 /nfs/dbraw/zinc/06/32/89/553063289.db2.gz UYYLTHZCCGFGGJ-SSDOTTSWSA-N 0 0 383.695 2.524 10 0 GFAERN C[C@H]1CN([C@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000245586725 553093550 /nfs/dbraw/zinc/09/35/50/553093550.db2.gz MOSQLVITBZYYMB-NWDGAFQWSA-N 0 0 382.473 2.922 10 0 GFAERN COc1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c(Br)c1OC ZINC000246503365 553108855 /nfs/dbraw/zinc/10/88/55/553108855.db2.gz QCCWBJXHWBCHOQ-UKRRQHHQSA-N 0 0 399.329 2.619 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@H]1C ZINC000246680279 553111336 /nfs/dbraw/zinc/11/13/36/553111336.db2.gz IPANUKZKXKJSMP-KGLIPLIRSA-N 0 0 383.330 2.640 10 0 GFAERN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(F)cc2I)C1 ZINC000247087966 553118824 /nfs/dbraw/zinc/11/88/24/553118824.db2.gz JKUGOPSYJIOFRD-IINYFYTJSA-N 0 0 390.240 2.889 10 0 GFAERN C[C@@H](NC(=O)CN1CC[C@@H](N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000247190979 553119651 /nfs/dbraw/zinc/11/96/51/553119651.db2.gz BRVHDDVGSXRWMP-UKRRQHHQSA-N 0 0 386.323 2.577 10 0 GFAERN C[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000247561573 553124254 /nfs/dbraw/zinc/12/42/54/553124254.db2.gz YZUDDNBQSTXWJU-JTQLQIEISA-N 0 0 389.445 2.945 10 0 GFAERN Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)cc1 ZINC000248370605 553128754 /nfs/dbraw/zinc/12/87/54/553128754.db2.gz XSEWCUBPUFXHDD-DOTOQJQBSA-N 0 0 380.535 2.797 10 0 GFAERN COC[C@H](O)CCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000248500139 553130747 /nfs/dbraw/zinc/13/07/47/553130747.db2.gz NDXCTLILNGFEFQ-XPKDYRNWSA-N 0 0 376.280 2.975 10 0 GFAERN CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000248903029 553137412 /nfs/dbraw/zinc/13/74/12/553137412.db2.gz UNWCXTGKASAHSV-XZJROXQQSA-N 0 0 383.286 2.700 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000263469387 553188110 /nfs/dbraw/zinc/18/81/10/553188110.db2.gz DHVSXQCNIIFFIQ-GFCCVEGCSA-N 0 0 380.794 2.576 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2c(F)ccc(Br)c2F)C1 ZINC000263494125 553188466 /nfs/dbraw/zinc/18/84/66/553188466.db2.gz JHDKPBMSCXIXOJ-UHFFFAOYSA-N 0 0 377.229 2.754 10 0 GFAERN COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(O)c1OC ZINC000014646730 560223821 /nfs/dbraw/zinc/22/38/21/560223821.db2.gz PFCOJAPJHVVASV-LSDHHAIUSA-N 0 0 386.400 2.713 10 0 in-vitro GFAERN O=C(C1CCCC1)N1CCN(CCNc2cncc(Br)c2)CC1 ZINC000301393973 563402414 /nfs/dbraw/zinc/40/24/14/563402414.db2.gz JZYZSWAUZWMHJU-UHFFFAOYSA-N 0 0 381.318 2.590 10 0 GFAERN Cc1ccc([C@@](C)(O)CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)o1 ZINC000301431682 563403706 /nfs/dbraw/zinc/40/37/06/563403706.db2.gz KFSRUYQCXLNVRQ-AWEZNQCLSA-N 0 0 378.372 2.574 10 0 GFAERN O=S1(=O)CCN(CCCNc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000302005221 563418264 /nfs/dbraw/zinc/41/82/64/563418264.db2.gz KSRYTVYKIJQSJF-UHFFFAOYSA-N 0 0 393.456 2.848 10 0 GFAERN CCC1(CC)CN(c2ccccc2S(=O)(=O)C(F)(F)F)CCS1(=O)=O ZINC000302479438 563425266 /nfs/dbraw/zinc/42/52/66/563425266.db2.gz VZXOXRFMCKEKNI-UHFFFAOYSA-N 0 0 399.456 2.774 10 0 GFAERN O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000389135859 563521053 /nfs/dbraw/zinc/52/10/53/563521053.db2.gz FZHOCPWVYRZTAQ-XHDPSFHLSA-N 0 0 392.290 2.904 10 0 GFAERN C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC000392906769 563527789 /nfs/dbraw/zinc/52/77/89/563527789.db2.gz XHIQFXHYBYWXGR-HQJQHLMTSA-N 0 0 392.091 2.674 10 0 GFAERN O=C(Nc1cc(Br)cc(Br)c1)[C@@H]1CCC(=O)NC1 ZINC000529694112 564847787 /nfs/dbraw/zinc/84/77/87/564847787.db2.gz RRYIPQLNNHGHCG-SSDOTTSWSA-N 0 0 376.048 2.676 10 0 GFAERN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)Cc4ccncc4)C3)C2=O)c1 ZINC000012448224 570380826 /nfs/dbraw/zinc/38/08/26/570380826.db2.gz KMEXMUSACNKGHY-HSZRJFAPSA-N 0 0 377.488 2.974 10 0 GFAERN CCCc1noc(CN2CCC(OC)(c3nc(-c4ccccn4)no3)CC2)n1 ZINC000578210570 570580867 /nfs/dbraw/zinc/58/08/67/570580867.db2.gz ONLFBBCVSKDIAE-UHFFFAOYSA-N 0 0 384.440 2.605 10 0 GFAERN CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CC4)ccc3n2)CC1 ZINC000033260831 570866170 /nfs/dbraw/zinc/86/61/70/570866170.db2.gz FPPMIVSSNMSJOK-UHFFFAOYSA-N 0 0 382.464 2.814 10 0 GFAERN Cn1cccc1C(=O)N1CCC[C@H](COc2cccc(C(=O)NC3CC3)c2)C1 ZINC000033311771 570970525 /nfs/dbraw/zinc/97/05/25/570970525.db2.gz DPKBXQNJJGWKAJ-INIZCTEOSA-N 0 0 381.476 2.849 10 0 GFAERN CCOC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C ZINC000014974209 581096560 /nfs/dbraw/zinc/09/65/60/581096560.db2.gz HXEFORARMATYKJ-UHFFFAOYSA-N 0 0 383.408 2.558 10 0 GFAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008075412 654478187 /nfs/dbraw/zinc/47/81/87/654478187.db2.gz CORNFJJFRCFOIK-VIFPVBQESA-N 0 0 381.816 2.545 10 0 GFAERN C[C@@H](NC(=O)c1cncc(Br)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000016108657 654514878 /nfs/dbraw/zinc/51/48/78/654514878.db2.gz QCFXUZTWBMLNKM-SNVBAGLBSA-N 0 0 383.267 2.739 10 0 GFAERN C[C@H](NC(=O)CCSc1ccccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000017853648 654522019 /nfs/dbraw/zinc/52/20/19/654522019.db2.gz CFWZCRJZZXDLSY-LBPRGKRZSA-N 0 0 382.482 2.833 10 0 GFAERN C[C@@H](N[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1Br ZINC000025240159 654547416 /nfs/dbraw/zinc/54/74/16/654547416.db2.gz YYLGFNTWUPJPBT-BDAKNGLRSA-N 0 0 396.207 2.876 10 0 GFAERN C[C@H](NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)[C@H]1CCCO1 ZINC000027903458 654566395 /nfs/dbraw/zinc/56/63/95/654566395.db2.gz KECAUSPOJLLAHG-SMDDNHRTSA-N 0 0 379.507 2.612 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000027915176 654566638 /nfs/dbraw/zinc/56/66/38/654566638.db2.gz WXIBBQOHKYXBRT-MLGOLLRUSA-N 0 0 388.917 2.668 10 0 GFAERN C[C@@H](NC(=O)CCSc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000036673946 654612908 /nfs/dbraw/zinc/61/29/08/654612908.db2.gz APEGAWBOPZWTDX-GFCCVEGCSA-N 0 0 382.482 2.833 10 0 GFAERN CCOC(=O)N1CCN(C(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000054065996 654755778 /nfs/dbraw/zinc/75/57/78/654755778.db2.gz QCYCIZZSLJQIAN-GFCCVEGCSA-N 0 0 384.274 2.994 10 0 GFAERN Cc1ccc(Cl)c(OC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)c1 ZINC000123844902 654765212 /nfs/dbraw/zinc/76/52/12/654765212.db2.gz DSOXJUAFDXHQGD-LLVKDONJSA-N 0 0 378.837 2.681 10 0 GFAERN CN(C)C[C@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)c1ccccc1 ZINC000055218507 654771993 /nfs/dbraw/zinc/77/19/93/654771993.db2.gz IDAMPFBFSKGHEQ-AWEZNQCLSA-N 0 0 378.885 2.569 10 0 GFAERN CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000056511952 654796604 /nfs/dbraw/zinc/79/66/04/654796604.db2.gz MMVSCKZDWFOFSU-ZDUSSCGKSA-N 0 0 389.323 2.927 10 0 GFAERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000128453442 654847179 /nfs/dbraw/zinc/84/71/79/654847179.db2.gz MZJDWPXJUVYIFK-GFCCVEGCSA-N 0 0 384.864 2.559 10 0 GFAERN O=C(Nc1ccccc1SC(F)(F)F)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130607097 654890566 /nfs/dbraw/zinc/89/05/66/654890566.db2.gz MDUXKKQGQNUIQJ-GHMZBOCLSA-N 0 0 376.400 2.904 10 0 GFAERN CSC[C@H](C)NC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000131720449 654915081 /nfs/dbraw/zinc/91/50/81/654915081.db2.gz RTIJPTBCNPQBJZ-JGVFFNPUSA-N 0 0 375.277 2.846 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(C)nc2Br)C1 ZINC000132315655 654933288 /nfs/dbraw/zinc/93/32/88/654933288.db2.gz AVMGACZXMOVWLG-GFCCVEGCSA-N 0 0 378.274 2.784 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COc1cccc(Br)c1)CC2 ZINC000133622996 654968971 /nfs/dbraw/zinc/96/89/71/654968971.db2.gz OGCUOPAJFSYORM-CYBMUJFWSA-N 0 0 393.285 2.674 10 0 GFAERN C[C@H](NC(=O)c1ccccc1I)c1nnc2n1CCCC2 ZINC000135252136 655012720 /nfs/dbraw/zinc/01/27/20/655012720.db2.gz TUKPRRGMHZRREU-JTQLQIEISA-N 0 0 396.232 2.710 10 0 GFAERN CC[C@@H](CNC(=O)N[C@H](C(N)=O)C(C)C)Cc1cccc(Br)c1 ZINC000135287242 655013276 /nfs/dbraw/zinc/01/32/76/655013276.db2.gz QCIXNCFPESYMIR-DOMZBBRYSA-N 0 0 384.318 2.827 10 0 GFAERN C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1sccc1Br ZINC000096658561 655031990 /nfs/dbraw/zinc/03/19/90/655031990.db2.gz WZAOPTNSWYYOMY-GHMZBOCLSA-N 0 0 379.345 2.758 10 0 GFAERN CCC1CCC(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000097000396 655033089 /nfs/dbraw/zinc/03/30/89/655033089.db2.gz ZKLZOSVWDWYDMS-UHFFFAOYSA-N 0 0 379.931 2.991 10 0 GFAERN C[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)c1ccc(F)cc1Cl ZINC000136788330 655035306 /nfs/dbraw/zinc/03/53/06/655035306.db2.gz UDCCVUQPDLOQFH-SECBINFHSA-N 0 0 376.862 2.696 10 0 GFAERN NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3cc(F)ccc32)ccc1Cl ZINC000153166607 655064939 /nfs/dbraw/zinc/06/49/39/655064939.db2.gz ICKGNMIFERYSON-HNNXBMFYSA-N 0 0 382.844 2.934 10 0 GFAERN Cc1ncc(CN2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)s1 ZINC000106090407 655101983 /nfs/dbraw/zinc/10/19/83/655101983.db2.gz AWPRUONDYXNWPH-INIZCTEOSA-N 0 0 381.929 2.662 10 0 GFAERN C[C@@H]1CN(CCCNc2ccccc2S(=O)(=O)C(F)(F)F)C[C@@H](C)O1 ZINC000106087846 655102048 /nfs/dbraw/zinc/10/20/48/655102048.db2.gz HUPHFIIUJUUOBF-CHWSQXEVSA-N 0 0 380.432 2.891 10 0 GFAERN CCS(=O)(=O)CCN(C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000159551860 655115115 /nfs/dbraw/zinc/11/51/15/655115115.db2.gz ONGBZGMHTIJCTD-LLVKDONJSA-N 0 0 377.304 2.586 10 0 GFAERN C[C@@H](NC(=O)NCC(=O)NCc1ccco1)c1cccc(Br)c1 ZINC000107717248 655124439 /nfs/dbraw/zinc/12/44/39/655124439.db2.gz VLKAVTDLYJCRRG-LLVKDONJSA-N 0 0 380.242 2.719 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000170807587 655146340 /nfs/dbraw/zinc/14/63/40/655146340.db2.gz BGVRWNVKBKGHPD-WBMJQRKESA-N 0 0 378.881 2.957 10 0 GFAERN O=C(Cc1ccc(Br)cc1)N1CCCN(c2cccnn2)CC1 ZINC000109630468 655149288 /nfs/dbraw/zinc/14/92/88/655149288.db2.gz LWJOQHBWMMHABH-UHFFFAOYSA-N 0 0 375.270 2.521 10 0 GFAERN O=C(Cc1ccccc1Br)N1CCCN(c2cccnn2)CC1 ZINC000109630382 655149356 /nfs/dbraw/zinc/14/93/56/655149356.db2.gz ALJZHMMMJZOBKT-UHFFFAOYSA-N 0 0 375.270 2.521 10 0 GFAERN O=C(c1coc(Br)c1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000109644974 655149485 /nfs/dbraw/zinc/14/94/85/655149485.db2.gz PQHACEVLIDXWGI-HNNXBMFYSA-N 0 0 379.254 2.534 10 0 GFAERN O=C(COc1ccc(Br)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000109636474 655149554 /nfs/dbraw/zinc/14/95/54/655149554.db2.gz RYXCSOGJRUYPAY-UHFFFAOYSA-N 0 0 391.269 2.721 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2[nH]nc(C(C)C)c2Br)C1 ZINC000109994545 655154905 /nfs/dbraw/zinc/15/49/05/655154905.db2.gz XCRBKBGJIVQATN-LLVKDONJSA-N 0 0 395.305 2.927 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccccc1Br ZINC000172078202 655156225 /nfs/dbraw/zinc/15/62/25/655156225.db2.gz IRXCFUWPPYXRDV-LBPRGKRZSA-N 0 0 376.272 2.559 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111078632 655164035 /nfs/dbraw/zinc/16/40/35/655164035.db2.gz HVCAMINGFNIEFE-TZMCWYRMSA-N 0 0 384.263 2.885 10 0 GFAERN O=C(c1cc2cc(Br)ccc2o1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111085201 655164381 /nfs/dbraw/zinc/16/43/81/655164381.db2.gz JSIDNJVRPDYFFL-AWEZNQCLSA-N 0 0 390.237 2.933 10 0 GFAERN O=C(c1ccc(C2SCCS2)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111087958 655164492 /nfs/dbraw/zinc/16/44/92/655164492.db2.gz ZNLXHSFVRFERGG-MRXNPFEDSA-N 0 0 375.519 2.903 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)C2)n1 ZINC000173405741 655170446 /nfs/dbraw/zinc/17/04/46/655170446.db2.gz JUIMSGKHTIHAFQ-IJLUTSLNSA-N 0 0 375.416 2.615 10 0 GFAERN C[C@@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000111835024 655177682 /nfs/dbraw/zinc/17/76/82/655177682.db2.gz FJZICPZOMCHNPK-SNVBAGLBSA-N 0 0 392.258 2.694 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Oc1cccc(Br)c1)CC2 ZINC000173768497 655180663 /nfs/dbraw/zinc/18/06/63/655180663.db2.gz VXNFASFPCSILSG-YPMHNXCESA-N 0 0 393.285 2.502 10 0 GFAERN C[C@@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000173766073 655180682 /nfs/dbraw/zinc/18/06/82/655180682.db2.gz IAUNLPRIIWBWIV-CJNGLKHVSA-N 0 0 382.302 2.626 10 0 GFAERN Cc1ncsc1C(=O)N(C)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000174189893 655193591 /nfs/dbraw/zinc/19/35/91/655193591.db2.gz WZHQZPLAOAREHP-UHFFFAOYSA-N 0 0 389.296 2.983 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@H]1C ZINC000174325848 655199219 /nfs/dbraw/zinc/19/92/19/655199219.db2.gz BBRKAPADSONSDT-ZIAGYGMSSA-N 0 0 383.330 2.640 10 0 GFAERN C[C@@H](NS(=O)(=O)/C=C/c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000175199425 655215507 /nfs/dbraw/zinc/21/55/07/655215507.db2.gz UKMVGFNFHPVRTM-XZHRJIJLSA-N 0 0 383.466 2.881 10 0 GFAERN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1CCOC1 ZINC000175232025 655216024 /nfs/dbraw/zinc/21/60/24/655216024.db2.gz HFJYQZOVSSIVRD-YNEHKIRRSA-N 0 0 382.254 2.770 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3ccc(Br)s3)CCO2)n1 ZINC000114333365 655222035 /nfs/dbraw/zinc/22/20/35/655222035.db2.gz HNCVBZBQTAWHIY-CYBMUJFWSA-N 0 0 398.326 2.794 10 0 GFAERN CN(c1cccnn1)C1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000114330858 655222061 /nfs/dbraw/zinc/22/20/61/655222061.db2.gz IALMEPMUKXOEEP-UHFFFAOYSA-N 0 0 395.326 2.971 10 0 GFAERN COc1ccc(Br)cc1CNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000175731891 655226374 /nfs/dbraw/zinc/22/63/74/655226374.db2.gz AKJITJNMLRJVBX-CYBMUJFWSA-N 0 0 394.273 2.692 10 0 GFAERN CC(=O)N(c1nc(CN2CCO[C@@H](c3nc(C)cs3)C2)cs1)C1CC1 ZINC000114717120 655227630 /nfs/dbraw/zinc/22/76/30/655227630.db2.gz CWEQQZVRYABSJK-OAHLLOKOSA-N 0 0 378.523 2.997 10 0 GFAERN O=C(CCNC(=O)N[C@H]1CCCC[C@@H]1CO)Nc1ccc(Br)cc1 ZINC000175988058 655231566 /nfs/dbraw/zinc/23/15/66/655231566.db2.gz KVGNLRTZUVRINS-DOMZBBRYSA-N 0 0 398.301 2.628 10 0 GFAERN Cc1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1I ZINC000116123919 655244469 /nfs/dbraw/zinc/24/44/69/655244469.db2.gz JAVRQOPDZGNGNB-ZDUSSCGKSA-N 0 0 395.244 2.963 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1ccc(Br)cc1 ZINC000176444591 655245687 /nfs/dbraw/zinc/24/56/87/655245687.db2.gz LCUUVVSPRFBRMM-CQSZACIVSA-N 0 0 392.301 2.980 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)CCc3ccc(Br)cc3)CCO2)[nH]1 ZINC000176504947 655248160 /nfs/dbraw/zinc/24/81/60/655248160.db2.gz RAOFCYNNJIOYEL-AWEZNQCLSA-N 0 0 393.285 2.662 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(Cl)cc1C(F)(F)F ZINC000176745568 655254735 /nfs/dbraw/zinc/25/47/35/655254735.db2.gz ZSDPBIMBRWNZDV-JTQLQIEISA-N 0 0 380.779 2.764 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc(Br)cc3O)C2)n1 ZINC000116977498 655258090 /nfs/dbraw/zinc/25/80/90/655258090.db2.gz LCGCRDBBFCQJMF-ZDUSSCGKSA-N 0 0 393.285 2.915 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc(Br)cn3C)C2)n1 ZINC000116988841 655258414 /nfs/dbraw/zinc/25/84/14/655258414.db2.gz OUMPCNIBINKJNQ-ZDUSSCGKSA-N 0 0 380.290 2.548 10 0 GFAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1cccc(Cl)c1Cl ZINC000176906231 655260354 /nfs/dbraw/zinc/26/03/54/655260354.db2.gz YARYQKPASHQWIM-UHFFFAOYSA-N 0 0 376.265 2.763 10 0 GFAERN O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@H]1CNC(=O)C1 ZINC000117152436 655260942 /nfs/dbraw/zinc/26/09/42/655260942.db2.gz HMBNSQWLWGGGJA-CYBMUJFWSA-N 0 0 389.249 2.994 10 0 GFAERN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000117236800 655261879 /nfs/dbraw/zinc/26/18/79/655261879.db2.gz QLQDCXVFLDZGMQ-ZBFHGGJFSA-N 0 0 383.330 2.855 10 0 GFAERN CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N[C@H](C)c1cccs1 ZINC000176931199 655262336 /nfs/dbraw/zinc/26/23/36/655262336.db2.gz PGEUYDOBUHILTL-GFCCVEGCSA-N 0 0 380.491 2.746 10 0 GFAERN Cc1cnn(CCNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000117817068 655268325 /nfs/dbraw/zinc/26/83/25/655268325.db2.gz REVKBEDKBJLPBQ-UHFFFAOYSA-N 0 0 377.857 2.803 10 0 GFAERN C[C@H]1CN(C(=O)Nc2ccc(F)cc2Br)C[C@@H]1N1CCOCC1 ZINC000177760014 655287869 /nfs/dbraw/zinc/28/78/69/655287869.db2.gz UKWLHNPVHKCGHM-NHYWBVRUSA-N 0 0 386.265 2.773 10 0 GFAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000119408199 655303177 /nfs/dbraw/zinc/30/31/77/655303177.db2.gz KXABDMVQTHEFQN-UHFFFAOYSA-N 0 0 391.269 2.527 10 0 GFAERN CNC(=O)[C@H](NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C(C)C ZINC000178417623 655303434 /nfs/dbraw/zinc/30/34/34/655303434.db2.gz ATXPYJRRCIHWPC-LSDHHAIUSA-N 0 0 388.295 2.847 10 0 GFAERN O=C(/C=C/c1ccc(I)o1)N[C@@H]1CCCC[C@H]1CO ZINC000179231477 655312227 /nfs/dbraw/zinc/31/22/27/655312227.db2.gz DGRVLRDLCVWDPB-YPRPKKHFSA-N 0 0 375.206 2.565 10 0 GFAERN C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1c(Cl)ccc(F)c1Cl ZINC000119893028 655320032 /nfs/dbraw/zinc/32/00/32/655320032.db2.gz YAGLVOBYBVNQSV-ZETCQYMHSA-N 0 0 394.255 2.609 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1Br ZINC000120295277 655334308 /nfs/dbraw/zinc/33/43/08/655334308.db2.gz UVMQHIKPJXJAFD-CYBMUJFWSA-N 0 0 393.278 2.731 10 0 GFAERN COc1ccc([C@H](C)OC(=O)[C@@H]2CCCN(C(N)=O)C2)c(Br)c1 ZINC000181344727 655335579 /nfs/dbraw/zinc/33/55/79/655335579.db2.gz ONDYHMAWJMZTMQ-WDEREUQCSA-N 0 0 385.258 2.853 10 0 GFAERN O=C(Cc1ccc2c(c1)CCC2)OCCn1cc(Br)ccc1=O ZINC000181358440 655335930 /nfs/dbraw/zinc/33/59/30/655335930.db2.gz BVJNDGNCMBBOGU-UHFFFAOYSA-N 0 0 376.250 2.885 10 0 GFAERN Cc1cnc(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)NCc2ncc(C)s2)s1 ZINC000120712218 655342813 /nfs/dbraw/zinc/34/28/13/655342813.db2.gz LBBXYFSTUFLQJC-BETUJISGSA-N 0 0 378.523 2.565 10 0 GFAERN C[C@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000186088616 655367741 /nfs/dbraw/zinc/36/77/41/655367741.db2.gz SDVLVZCYHAZKMS-SMDDNHRTSA-N 0 0 390.299 2.867 10 0 GFAERN CCN1C(=S)N=NC1[C@H]1CCCN(S(=O)(=O)C=Cc2ccccc2)C1 ZINC000255507557 655439222 /nfs/dbraw/zinc/43/92/22/655439222.db2.gz YUUPKLIEZRTONV-WQTVUKCASA-N 0 0 378.523 2.767 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(Br)c2Cl)C1 ZINC000263195097 655450111 /nfs/dbraw/zinc/45/01/11/655450111.db2.gz UDMNZWKCHIBXMY-UHFFFAOYSA-N 0 0 389.677 2.770 10 0 GFAERN Cc1ccnc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1Br ZINC000702859606 655521920 /nfs/dbraw/zinc/52/19/20/655521920.db2.gz PSWIAFJOPPTKMF-VXGBXAGGSA-N 0 0 386.290 2.792 10 0 GFAERN C[C@@H](NC(=O)c1cc(Br)ccc1Br)c1cn(C)nn1 ZINC000720613259 655524543 /nfs/dbraw/zinc/52/45/43/655524543.db2.gz ALJTXTLVTKEBKS-SSDOTTSWSA-N 0 0 388.063 2.831 10 0 GFAERN NS(=O)(=O)c1ccc(SCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000900086151 663708055 /nfs/dbraw/zinc/70/80/55/663708055.db2.gz ZQJPTDDUCMUHJT-QWRGUYRKSA-N 0 0 396.456 2.663 10 0 GFAERN CCc1nnc(NC(=O)CSc2nc(=O)c3c(C)c(C)sc3[nH]2)s1 ZINC000004861526 204083024 /nfs/dbraw/zinc/08/30/24/204083024.db2.gz NPMMHWKMWDKRRR-UHFFFAOYSA-N 0 0 381.508 2.746 10 0 GFAERN COCCOC(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000005720056 204149107 /nfs/dbraw/zinc/14/91/07/204149107.db2.gz HSJDVWRYVJHOBV-UHFFFAOYSA-N 0 0 379.210 2.900 10 0 GFAERN O=S(=O)(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccccc1 ZINC000005451681 204133444 /nfs/dbraw/zinc/13/34/44/204133444.db2.gz GADCVLZPLLMOTL-UHFFFAOYSA-N 0 0 390.774 2.880 10 0 GFAERN C[C@H]1O[C@H](NC(=O)c2ccccc2F)[C@H](NC(=O)c2ccccc2F)O[C@H]1C ZINC000005534561 204138377 /nfs/dbraw/zinc/13/83/77/204138377.db2.gz FKTZWRKOVOUXRB-SRRICDNISA-N 0 0 390.386 2.601 10 0 GFAERN O=S(=O)(c1ccc(Cl)cc1)c1ccc(N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005616425 204142466 /nfs/dbraw/zinc/14/24/66/204142466.db2.gz UTHRFSIDGAFSPM-AWEZNQCLSA-N 0 0 385.894 2.772 10 0 GFAERN Cc1ccc(NC(=O)CN2c3ccccc3S(=O)(=O)[C@H](C)CC2=O)c(C)c1 ZINC000006806559 204209859 /nfs/dbraw/zinc/20/98/59/204209859.db2.gz ADABAOMBZVSQSK-OAHLLOKOSA-N 0 0 386.473 2.841 10 0 GFAERN Cc1ccccc1C1=NO[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)C)C1 ZINC000006872531 204217909 /nfs/dbraw/zinc/21/79/09/204217909.db2.gz AKYRJQZOYXQNHF-NHCUHLMSSA-N 0 0 393.487 2.740 10 0 GFAERN COC(=O)c1ccccc1NC(=O)CN(C)c1nc(-c2ccc(OC)cc2)no1 ZINC000006751913 204199342 /nfs/dbraw/zinc/19/93/42/204199342.db2.gz JQTPNAAMRFCDKC-UHFFFAOYSA-N 0 0 396.403 2.607 10 0 GFAERN COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1CCc2ccccc2C1 ZINC000007457902 204241841 /nfs/dbraw/zinc/24/18/41/204241841.db2.gz BTQCKPCXVPRZJZ-UHFFFAOYSA-N 0 0 375.428 2.748 10 0 GFAERN Cn1c2ccccc2n(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1=O ZINC000010261550 204332746 /nfs/dbraw/zinc/33/27/46/204332746.db2.gz MNVUVSZEKUOTAB-SFHVURJKSA-N 0 0 375.432 2.580 10 0 GFAERN CCN1C[C@@H](CNC(=O)c2csc3nc(-c4cccc(F)c4)cn23)CC1=O ZINC000011664780 204349322 /nfs/dbraw/zinc/34/93/22/204349322.db2.gz CZNLYIKGRRFATJ-GFCCVEGCSA-N 0 0 386.452 2.800 10 0 GFAERN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)cc1C ZINC000011933418 204362972 /nfs/dbraw/zinc/36/29/72/204362972.db2.gz OJTCALGJHQDKHD-IBGZPJMESA-N 0 0 387.524 2.533 10 0 GFAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000011999105 204366281 /nfs/dbraw/zinc/36/62/81/204366281.db2.gz GONFGHAAGOGDIT-CQSZACIVSA-N 0 0 381.885 2.964 10 0 GFAERN CC(=O)Nc1ccnn1C1CCN(C(=O)[C@@H](C)n2cnc3ccccc32)CC1 ZINC000012448371 204412280 /nfs/dbraw/zinc/41/22/80/204412280.db2.gz CEFPFYNYRQWIKD-CQSZACIVSA-N 0 0 380.452 2.616 10 0 GFAERN Cc1cc(C)cc(-n2ccn3c(CCC(=O)N4CCC(C)CC4)nnc3c2=O)c1 ZINC000021540503 204758984 /nfs/dbraw/zinc/75/89/84/204758984.db2.gz SJRCURPQPMEJLA-UHFFFAOYSA-N 0 0 393.491 2.688 10 0 GFAERN COc1cccc([C@H]2CN(C(=O)C3CC3)C[C@H]2C(=O)NCc2ccccc2)c1 ZINC000036045731 205002678 /nfs/dbraw/zinc/00/26/78/205002678.db2.gz VKQBYLYHOWHBDW-NHCUHLMSSA-N 0 0 378.472 2.964 10 0 GFAERN Cc1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000036054948 205004104 /nfs/dbraw/zinc/00/41/04/205004104.db2.gz WCMFRBNMCKXOIG-SFTDATJTSA-N 0 0 396.462 2.849 10 0 GFAERN Nc1c(Nc2ccc(Br)cn2)ncnc1-n1nnc2ccccc21 ZINC000040780058 205071387 /nfs/dbraw/zinc/07/13/87/205071387.db2.gz JXYONINBOLESSE-UHFFFAOYSA-N 0 0 383.213 2.694 10 0 GFAERN Cc1ccc(OCC(=O)Nc2cc(-n3cnnn3)ccc2N2CCCC2)c(C)c1 ZINC000046141103 205105041 /nfs/dbraw/zinc/10/50/41/205105041.db2.gz UEDOGNAMUKVVQI-UHFFFAOYSA-N 0 0 392.463 2.897 10 0 GFAERN CC1(C)CC(=O)c2cnc3c(C(=O)NCc4ccc5c(c4)OCO5)cnn3c2C1 ZINC000064987414 205204873 /nfs/dbraw/zinc/20/48/73/205204873.db2.gz PNZWAOOKXPQFEU-UHFFFAOYSA-N 0 0 392.415 2.543 10 0 GFAERN O=C(c1ccc(NCc2ccncc2)cc1)N1CCC(N2CCCC2=O)CC1 ZINC000071771497 205298095 /nfs/dbraw/zinc/29/80/95/205298095.db2.gz NWKYTUZNKDRFQQ-UHFFFAOYSA-N 0 0 378.476 2.921 10 0 GFAERN O=C1N(CC2CCCCC2)CCC[C@@]12CCN(S(=O)(=O)c1cccnc1)C2 ZINC000072148446 205310224 /nfs/dbraw/zinc/31/02/24/205310224.db2.gz QMRAVVWOZYANML-FQEVSTJZSA-N 0 0 391.537 2.665 10 0 GFAERN COC(=O)[C@@H](CSCC1=CC(C)(C)N(O)C1(C)C)NC(=O)OC(C)(C)C ZINC000077273711 205357171 /nfs/dbraw/zinc/35/71/71/205357171.db2.gz VYMBPNMZZZFMIV-CYBMUJFWSA-N 0 0 388.530 2.974 10 0 in-vitro GFAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C/c1ccccc1Cl ZINC000129391600 205404389 /nfs/dbraw/zinc/40/43/89/205404389.db2.gz VCOHPXVVXSQRDB-PLWJUESGSA-N 0 0 382.873 2.503 10 0 GFAERN Cc1cc(N(C)C)nc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000224190383 206014461 /nfs/dbraw/zinc/01/44/61/206014461.db2.gz RGJFVFOUUKYFGC-UHFFFAOYSA-N 0 0 375.281 2.636 10 0 GFAERN Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000027936416 206020411 /nfs/dbraw/zinc/02/04/11/206020411.db2.gz CYXRISRSWRLWBC-RKDXNWHRSA-N 0 0 384.196 2.829 10 0 GFAERN O=C(NC[C@@H]1CCCO1)c1ccn(COc2ccc(Br)cc2)n1 ZINC000027972980 206023380 /nfs/dbraw/zinc/02/33/80/206023380.db2.gz ZCEGVCOLVKDTJB-AWEZNQCLSA-N 0 0 380.242 2.591 10 0 GFAERN CCCn1ncc(N2CCC(C(=O)N[C@@H](C)c3cccc(OC)c3)CC2)cc1=O ZINC000065311422 136163081 /nfs/dbraw/zinc/16/30/81/136163081.db2.gz NPWFPJOLMLGMNM-INIZCTEOSA-N 0 0 398.507 2.756 10 0 GFAERN CCCn1ncc(N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)cc1=O ZINC000065311358 136163154 /nfs/dbraw/zinc/16/31/54/136163154.db2.gz QCZXJWRONRQABK-UHFFFAOYSA-N 0 0 384.480 2.825 10 0 GFAERN Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)Nc1ccc(F)cc1F ZINC000096062729 136183500 /nfs/dbraw/zinc/18/35/00/136183500.db2.gz YNUDDBJOWUNSPU-UHFFFAOYSA-N 0 0 399.401 2.849 10 0 GFAERN CCOC(=O)c1cn(C)c2cc(S(=O)(=O)c3ccccc3)c(F)cc2c1=O ZINC000085346585 521563778 /nfs/dbraw/zinc/56/37/78/521563778.db2.gz OVLFIBOBSDLZGL-UHFFFAOYSA-N 0 0 389.404 2.687 10 0 GFAERN COc1cc2[nH]c(=O)n(Cc3cccc(C(F)(F)F)c3)c(=O)c2cc1OC ZINC000073657941 522987774 /nfs/dbraw/zinc/98/77/74/522987774.db2.gz OEQCYZHNYRFNOZ-UHFFFAOYSA-N 0 0 380.322 2.774 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](NC(=O)OCc2ccccc2)C1 ZINC000307433608 526427996 /nfs/dbraw/zinc/42/79/96/526427996.db2.gz JNYOIJQETTZRFY-BBWFWOEESA-N 0 0 376.453 2.937 10 0 GFAERN O=c1c2sccc2nc(N2CCC(O)CC2)n1CCOc1ccc(F)cc1 ZINC000057344601 527472426 /nfs/dbraw/zinc/47/24/26/527472426.db2.gz DTKXKYPRJCPKEB-UHFFFAOYSA-N 0 0 389.452 2.637 10 0 GFAERN CCNc1ccnc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 ZINC000072448164 535528158 /nfs/dbraw/zinc/52/81/58/535528158.db2.gz JUBGUWANPNHFPR-NRFANRHFSA-N 0 0 380.496 2.713 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000017325649 551112850 /nfs/dbraw/zinc/11/28/50/551112850.db2.gz TUWYZMRUHFTMTM-CHWSQXEVSA-N 0 0 388.917 2.620 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000028271597 551123557 /nfs/dbraw/zinc/12/35/57/551123557.db2.gz NQRLWEFOKCNHBN-CYBMUJFWSA-N 0 0 380.388 2.728 10 0 GFAERN C[C@@H](NC(=O)c1cnc2n(c1=O)CCS2)c1cccc(Br)c1 ZINC000030465689 551128110 /nfs/dbraw/zinc/12/81/10/551128110.db2.gz GVSPLHKYRDTWIJ-SECBINFHSA-N 0 0 380.267 2.603 10 0 GFAERN O=S(=O)(Nc1ccccc1I)N1CCCCCC1 ZINC000042237072 551139178 /nfs/dbraw/zinc/13/91/78/551139178.db2.gz RUYLZXLEIWWKNQ-UHFFFAOYSA-N 0 0 380.251 2.824 10 0 GFAERN C[C@H](CNC(=O)NCC(C)(C)c1ccc(Br)cc1)N1CCOCC1 ZINC000049130776 551158023 /nfs/dbraw/zinc/15/80/23/551158023.db2.gz XCXUWDCBBZRTBE-CQSZACIVSA-N 0 0 398.345 2.747 10 0 GFAERN CCCNC(=O)CN1CCC(NC(=O)N[C@H](C)c2ccc(Cl)s2)CC1 ZINC000049272734 551158622 /nfs/dbraw/zinc/15/86/22/551158622.db2.gz NUTDJLLVYZRGJJ-GFCCVEGCSA-N 0 0 386.949 2.752 10 0 GFAERN COC(=O)C[C@H](NC(=O)NCc1ccccn1)c1cccc(Br)c1 ZINC000054540469 551169209 /nfs/dbraw/zinc/16/92/09/551169209.db2.gz YDLJDGLSHFQBQH-HNNXBMFYSA-N 0 0 392.253 2.948 10 0 GFAERN Cc1ccc([C@H](CNC(=O)CSCC(F)(F)F)N2CCOCC2)s1 ZINC000121184970 551229093 /nfs/dbraw/zinc/22/90/93/551229093.db2.gz DHUBTQHHXHGUCO-LBPRGKRZSA-N 0 0 382.473 2.842 10 0 GFAERN CC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCN1C[C@@H](C)O ZINC000122760714 551301662 /nfs/dbraw/zinc/30/16/62/551301662.db2.gz AJHOXSCPYKSRJO-OCCSQVGLSA-N 0 0 395.352 2.600 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3cncc(Br)c3)C2)n1 ZINC000126872780 551333846 /nfs/dbraw/zinc/33/38/46/551333846.db2.gz YOJABJZLCLAHKV-CYBMUJFWSA-N 0 0 393.289 2.997 10 0 GFAERN CCc1ccc([C@@H]2CCCCN2C(=O)CNS(=O)(=O)c2cccs2)o1 ZINC000129391906 551356851 /nfs/dbraw/zinc/35/68/51/551356851.db2.gz URAULNZAZRFDDF-AWEZNQCLSA-N 0 0 382.507 2.936 10 0 GFAERN O=C(Cc1cccc(I)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000129821362 551360355 /nfs/dbraw/zinc/36/03/55/551360355.db2.gz KNWUOVVERVUYBJ-HNNXBMFYSA-N 0 0 384.261 2.530 10 0 GFAERN COc1cc(Br)ccc1CCCN1CCS(=O)(=O)[C@@H](C)C1 ZINC000130057947 551361412 /nfs/dbraw/zinc/36/14/12/551361412.db2.gz DEJYRUPUTYGRSF-LBPRGKRZSA-N 0 0 376.316 2.509 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)CC2 ZINC000133577917 551383678 /nfs/dbraw/zinc/38/36/78/551383678.db2.gz OOSNNBZQYJWUMQ-GFCCVEGCSA-N 0 0 397.704 2.930 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COc1ccc(Br)cc1)CC2 ZINC000133815920 551384314 /nfs/dbraw/zinc/38/43/14/551384314.db2.gz PXNMDTFDEQMLCD-CYBMUJFWSA-N 0 0 393.285 2.674 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1Br ZINC000134418781 551385093 /nfs/dbraw/zinc/38/50/93/551385093.db2.gz HXNLFULGHNGKLP-LBPRGKRZSA-N 0 0 380.246 2.844 10 0 GFAERN COCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1Br ZINC000140926391 551393656 /nfs/dbraw/zinc/39/36/56/551393656.db2.gz IKXAQUWRNLFKGW-UHFFFAOYSA-N 0 0 375.244 2.853 10 0 GFAERN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000151376521 551412388 /nfs/dbraw/zinc/41/23/88/551412388.db2.gz DVNVIJWZPFYRPR-HZMBPMFUSA-N 0 0 396.264 2.945 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1[nH]nc(C(C)C)c1Br ZINC000151539388 551416048 /nfs/dbraw/zinc/41/60/48/551416048.db2.gz STIYIRUBVYTOOJ-SECBINFHSA-N 0 0 381.278 2.714 10 0 GFAERN Cc1nn(C)c(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1-c1ccc(Br)cc1 ZINC000152231127 551428984 /nfs/dbraw/zinc/42/89/84/551428984.db2.gz ASWNFBCKLJKBHE-TVQRCGJNSA-N 0 0 391.269 2.621 10 0 GFAERN COc1ccc(C(=O)N2CCS[C@@H](C)C2)cc1I ZINC000152452721 551433171 /nfs/dbraw/zinc/43/31/71/551433171.db2.gz DNLHBZTXCVGOGY-VIFPVBQESA-N 0 0 377.247 2.877 10 0 GFAERN CSC[C@@H]1CCCN1C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000153721868 551459144 /nfs/dbraw/zinc/45/91/44/551459144.db2.gz LHLDIRXFBRFCDS-JKSUJKDBSA-N 0 0 383.583 2.967 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1CCCO1 ZINC000154570944 551477976 /nfs/dbraw/zinc/47/79/76/551477976.db2.gz IMXFQBOPKLXTQX-PELKAZGASA-N 0 0 375.650 2.725 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1cc(Br)ccc1F)CC2 ZINC000154720850 551481438 /nfs/dbraw/zinc/48/14/38/551481438.db2.gz SCQLHRZBZSGAFM-CYBMUJFWSA-N 0 0 395.276 2.977 10 0 GFAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@H](C)c1ccccc1Br ZINC000155016315 551488672 /nfs/dbraw/zinc/48/86/72/551488672.db2.gz PFDCEDZPHDGQAR-IUODEOHRSA-N 0 0 385.302 2.804 10 0 GFAERN O=C(c1ccc(Br)cc1-n1cncn1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000155298638 551496646 /nfs/dbraw/zinc/49/66/46/551496646.db2.gz MBSKDJVFOCGMPX-HOCLYGCPSA-N 0 0 391.269 2.813 10 0 GFAERN CC(C)c1nc(C2(NS(=O)(=O)c3cc(Cl)cnc3N)CCCC2)no1 ZINC000155431842 551499421 /nfs/dbraw/zinc/49/94/21/551499421.db2.gz VEYHZSNWYNJERM-UHFFFAOYSA-N 0 0 385.877 2.571 10 0 GFAERN CCN(C(=O)N[C@H](Cc1ccccc1)C(F)(F)F)[C@H](C)CS(C)(=O)=O ZINC000155610184 551504196 /nfs/dbraw/zinc/50/41/96/551504196.db2.gz UIWHKBCFDYVACD-TZMCWYRMSA-N 0 0 380.432 2.625 10 0 GFAERN C[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1cccc(Br)c1 ZINC000155633965 551504642 /nfs/dbraw/zinc/50/46/42/551504642.db2.gz XQKWGAZEXLPBLC-ZWNOBZJWSA-N 0 0 391.331 2.590 10 0 GFAERN Cc1c(I)cccc1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000156149939 551515978 /nfs/dbraw/zinc/51/59/78/551515978.db2.gz JOXQBAYFIKMPEF-LBPRGKRZSA-N 0 0 395.244 2.963 10 0 GFAERN CC(C)CCO[C@@H]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000156194836 551517233 /nfs/dbraw/zinc/51/72/33/551517233.db2.gz ZJOWRCMCKAPMMM-CYBMUJFWSA-N 0 0 386.290 2.817 10 0 GFAERN Cn1nnnc1SCCC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000156624246 551526244 /nfs/dbraw/zinc/52/62/44/551526244.db2.gz WJYMWDJGBUSWBO-JOYOIKCWSA-N 0 0 386.308 2.919 10 0 GFAERN CN(C)c1ccc(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)nn1 ZINC000156917365 551530807 /nfs/dbraw/zinc/53/08/07/551530807.db2.gz UXVWUDCFYUTMSV-UHFFFAOYSA-N 0 0 378.223 2.682 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(Br)c1 ZINC000157273055 551536053 /nfs/dbraw/zinc/53/60/53/551536053.db2.gz BONFYBCDIWECIE-CYBMUJFWSA-N 0 0 394.273 2.521 10 0 GFAERN CC[C@H](CNC(=O)N1CCC[C@H]1C(=O)NC)Cc1cccc(Br)c1 ZINC000158768198 551556912 /nfs/dbraw/zinc/55/69/12/551556912.db2.gz RWLKVCJNCHXFJW-BBRMVZONSA-N 0 0 396.329 2.938 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000159027331 551560268 /nfs/dbraw/zinc/56/02/68/551560268.db2.gz HLMGMJGLDQUBCT-UKRRQHHQSA-N 0 0 393.285 2.942 10 0 GFAERN O=C(CSc1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000162538302 551609771 /nfs/dbraw/zinc/60/97/71/551609771.db2.gz DWNVDAANXXECPL-CQSZACIVSA-N 0 0 396.310 2.665 10 0 GFAERN C[C@@H](C(=O)NCCc1cscn1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000162701671 551611481 /nfs/dbraw/zinc/61/14/81/551611481.db2.gz GCHRWOKTPGHPLS-QMMMGPOBSA-N 0 0 398.271 2.793 10 0 GFAERN CC(C)[C@H](O)CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000162754461 551612457 /nfs/dbraw/zinc/61/24/57/551612457.db2.gz JPADSLHWKDHFQJ-QGZVFWFLSA-N 0 0 383.330 2.937 10 0 GFAERN Cc1nnc([C@H]2CN(Cc3cc(Br)cc4cccnc43)CCO2)[nH]1 ZINC000163852252 551622295 /nfs/dbraw/zinc/62/22/95/551622295.db2.gz FNWFIQDINHFVPX-OAHLLOKOSA-N 0 0 388.269 2.997 10 0 GFAERN C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CCCn2ncnc21 ZINC000164641832 551626541 /nfs/dbraw/zinc/62/65/41/551626541.db2.gz IEPLBTOCSJCVON-FZMZJTMJSA-N 0 0 378.274 2.882 10 0 GFAERN COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000170702700 551638170 /nfs/dbraw/zinc/63/81/70/551638170.db2.gz ABRBAPDGBXSSIS-GFCCVEGCSA-N 0 0 384.274 2.851 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)CCc2ccc(OC)c(Br)c2)C1 ZINC000171465793 551656224 /nfs/dbraw/zinc/65/62/24/551656224.db2.gz HAODDQPPVMWSDM-CYBMUJFWSA-N 0 0 384.270 2.802 10 0 GFAERN C[C@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CCS1 ZINC000171569435 551658452 /nfs/dbraw/zinc/65/84/52/551658452.db2.gz UVSHSVZDHSHCHQ-NWDGAFQWSA-N 0 0 383.311 2.766 10 0 GFAERN CCOCCN1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@@H]1C ZINC000172219265 551673562 /nfs/dbraw/zinc/67/35/62/551673562.db2.gz MKZAEJXFYLBCNI-LBPRGKRZSA-N 0 0 395.301 2.508 10 0 GFAERN Cc1ccc(C[C@@H](C)NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000172339623 551676746 /nfs/dbraw/zinc/67/67/46/551676746.db2.gz SDIWHDMFKIDHLO-YPMHNXCESA-N 0 0 381.523 2.695 10 0 GFAERN Cn1nccc1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000172604905 551683105 /nfs/dbraw/zinc/68/31/05/551683105.db2.gz ACVMXHVKHASLDM-UHFFFAOYSA-N 0 0 375.281 2.690 10 0 GFAERN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749388 551686630 /nfs/dbraw/zinc/68/66/30/551686630.db2.gz PJYHGXXSTTXSRD-SJLPKXTDSA-N 0 0 395.341 2.951 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3cc(Br)ccc3Cl)CCO2)[nH]1 ZINC000173094647 551695902 /nfs/dbraw/zinc/69/59/02/551695902.db2.gz DUTNRXAYZPYKPA-GFCCVEGCSA-N 0 0 399.676 2.997 10 0 GFAERN O=S(=O)(c1ccc(F)c(Br)c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000173194463 552079100 /nfs/dbraw/zinc/07/91/00/552079100.db2.gz HTMJMRWNSYCPNA-KBPBESRZSA-N 0 0 378.263 2.920 10 0 GFAERN CC(C)c1csc([C@H]2CCCN(Cc3nc(CS(C)(=O)=O)no3)C2)n1 ZINC000173802393 552092067 /nfs/dbraw/zinc/09/20/67/552092067.db2.gz UJJVTXSQGNXDII-LBPRGKRZSA-N 0 0 384.527 2.574 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)c(Br)c1 ZINC000173836164 552093589 /nfs/dbraw/zinc/09/35/89/552093589.db2.gz UIUHCSCCEOGKCN-ZDUSSCGKSA-N 0 0 384.299 2.807 10 0 GFAERN CC(C)n1cc(Br)cc1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173887994 552095313 /nfs/dbraw/zinc/09/53/13/552095313.db2.gz MDOOZIKUBCBLQZ-BBRMVZONSA-N 0 0 384.318 2.624 10 0 GFAERN C[C@@H]1CN([C@@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000175051240 552114858 /nfs/dbraw/zinc/11/48/58/552114858.db2.gz BIVOJUYMQRJJCA-HIFRSBDPSA-N 0 0 380.539 2.808 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)[C@H]1CCCO1 ZINC000175951142 552132608 /nfs/dbraw/zinc/13/26/08/552132608.db2.gz KILGJFZNXQTJEW-JVXZTZIISA-N 0 0 393.640 2.864 10 0 GFAERN Cc1oc(C(=O)N2CCCC[C@@H]2c2nccs2)cc1S(=O)(=O)N(C)C ZINC000176615553 552142660 /nfs/dbraw/zinc/14/26/60/552142660.db2.gz FGZADRIMGJMIJC-GFCCVEGCSA-N 0 0 383.495 2.662 10 0 GFAERN Cc1nc(CCNC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)sc1C ZINC000177837952 552159456 /nfs/dbraw/zinc/15/94/56/552159456.db2.gz XSMNPCYMQKBXMV-CQSZACIVSA-N 0 0 379.507 2.520 10 0 GFAERN C[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000179253432 552188587 /nfs/dbraw/zinc/18/85/87/552188587.db2.gz WSECNMAZXNRZGG-BXUZGUMPSA-N 0 0 380.491 2.889 10 0 GFAERN Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c(Br)n1 ZINC000179258661 552188631 /nfs/dbraw/zinc/18/86/31/552188631.db2.gz BNNMBUGRQGODIR-CYBMUJFWSA-N 0 0 395.278 2.801 10 0 GFAERN Brc1cc(CN2CCC[C@H](n3cncn3)C2)cc2c1OCCO2 ZINC000179466002 552194150 /nfs/dbraw/zinc/19/41/50/552194150.db2.gz CGKXHVRCJPVNKT-ZDUSSCGKSA-N 0 0 379.258 2.649 10 0 GFAERN CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)[NH+](C)C ZINC000179715682 552200845 /nfs/dbraw/zinc/20/08/45/552200845.db2.gz CUQILHODYDBOLL-CQSZACIVSA-N 0 0 382.511 2.613 10 0 GFAERN Cc1nnc([C@@H]2CN(CC3=Cc4cc(Br)ccc4OC3)CCO2)[nH]1 ZINC000180115529 552213880 /nfs/dbraw/zinc/21/38/80/552213880.db2.gz MHNHPZQPPAVTMA-INIZCTEOSA-N 0 0 391.269 2.725 10 0 GFAERN COC1(CNC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CCC1 ZINC000181965536 552271799 /nfs/dbraw/zinc/27/17/99/552271799.db2.gz SZXHIHSGUHTVTP-SECBINFHSA-N 0 0 385.247 2.663 10 0 GFAERN O=S(=O)(c1ccc(OCC(F)F)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000182634921 552289622 /nfs/dbraw/zinc/28/96/22/552289622.db2.gz VJMATOIPOFLTPD-ZDUSSCGKSA-N 0 0 390.433 2.549 10 0 GFAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000182937187 552296520 /nfs/dbraw/zinc/29/65/20/552296520.db2.gz QXQFVPURBXTWHJ-JTQLQIEISA-N 0 0 382.247 2.816 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCS[C@@H](C)C2)nn1-c1cccc(Cl)c1 ZINC000183129052 552301038 /nfs/dbraw/zinc/30/10/38/552301038.db2.gz QVRJJWNMURUABU-LBPRGKRZSA-N 0 0 378.885 2.737 10 0 GFAERN COC(=O)c1sccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000184180757 552328920 /nfs/dbraw/zinc/32/89/20/552328920.db2.gz MAXOCNRVMOPHRE-RKDXNWHRSA-N 0 0 378.372 2.711 10 0 GFAERN O=C(CCc1cc(F)ccc1Br)N1CCC[C@H](n2cncn2)C1 ZINC000184271901 552330877 /nfs/dbraw/zinc/33/08/77/552330877.db2.gz FISSOHDZHZBERI-AWEZNQCLSA-N 0 0 381.249 2.976 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(Br)nc2)C12CCOCC2 ZINC000184527020 552337527 /nfs/dbraw/zinc/33/75/27/552337527.db2.gz LLCPWOMRMAQTHE-CHWSQXEVSA-N 0 0 384.274 2.940 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)Nc2cccnc2Br)C12CCOCC2 ZINC000184537280 552338237 /nfs/dbraw/zinc/33/82/37/552338237.db2.gz JJRWTGJNSNUVFE-QWHCGFSZSA-N 0 0 384.274 2.940 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2Cl)C12CCOCC2 ZINC000185151503 552355316 /nfs/dbraw/zinc/35/53/16/552355316.db2.gz YIPSLWPQIPFHJP-LSDHHAIUSA-N 0 0 377.865 2.732 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1Cl ZINC000186266642 552383243 /nfs/dbraw/zinc/38/32/43/552383243.db2.gz VZIPHNJCHDRGHD-ZFWWWQNUSA-N 0 0 378.881 2.883 10 0 GFAERN O=C(Nc1cccc(Cl)c1F)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186282471 552384025 /nfs/dbraw/zinc/38/40/25/552384025.db2.gz MAPZIRMATXXQCU-RYUDHWBXSA-N 0 0 382.844 2.714 10 0 GFAERN CSc1ccccc1NC(=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186300823 552384342 /nfs/dbraw/zinc/38/43/42/552384342.db2.gz LOJHLNLIRRWDFZ-KBPBESRZSA-N 0 0 376.503 2.643 10 0 GFAERN Cc1cc(Br)ccc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000186660154 552394082 /nfs/dbraw/zinc/39/40/82/552394082.db2.gz KXUHDXOKNWVBMO-AWEZNQCLSA-N 0 0 383.286 2.769 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)COc2cccc(Br)c2)C12CCOCC2 ZINC000187041262 552404923 /nfs/dbraw/zinc/40/49/23/552404923.db2.gz SDOKFBKJYARWBJ-HOTGVXAUSA-N 0 0 398.297 2.918 10 0 GFAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCS[C@H](C)C1 ZINC000187148933 552407919 /nfs/dbraw/zinc/40/79/19/552407919.db2.gz ZXLWCKYPVCZUFN-SECBINFHSA-N 0 0 375.263 2.799 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NCc1cccc(Br)c1OC ZINC000187301892 552412060 /nfs/dbraw/zinc/41/20/60/552412060.db2.gz CMVULCHKZFYASY-ZDUSSCGKSA-N 0 0 381.274 2.820 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000187467783 552416489 /nfs/dbraw/zinc/41/64/89/552416489.db2.gz UDIFRMNASXHWBR-ZDUSSCGKSA-N 0 0 399.314 2.725 10 0 GFAERN Cc1ncc([C@@H](C)Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)s1 ZINC000188085017 552434234 /nfs/dbraw/zinc/43/42/34/552434234.db2.gz IHFXHKVGBVCKQU-GFCCVEGCSA-N 0 0 381.523 2.770 10 0 GFAERN Cc1cc(C(=O)N2CCCNC(=O)[C@@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000188099617 552435019 /nfs/dbraw/zinc/43/50/19/552435019.db2.gz ZRFPNABTRQCIJM-NSHDSACASA-N 0 0 381.263 2.838 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000188227157 552439729 /nfs/dbraw/zinc/43/97/29/552439729.db2.gz UCRTUBRMLUDADN-SJKOYZFVSA-N 0 0 383.286 2.928 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(Br)c(C)[nH]c2=O)C12CCOCC2 ZINC000188268049 552440809 /nfs/dbraw/zinc/44/08/09/552440809.db2.gz WKZBXVZOBZGLLB-ZIAGYGMSSA-N 0 0 399.285 2.562 10 0 GFAERN Cc1csc(C(=O)N[C@H]2CCCn3ncnc32)c1I ZINC000188285601 552441464 /nfs/dbraw/zinc/44/14/64/552441464.db2.gz NUAAZECECNZEKV-QMMMGPOBSA-N 0 0 388.234 2.518 10 0 GFAERN CC(C)[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C(N)=O ZINC000188401785 552444307 /nfs/dbraw/zinc/44/43/07/552444307.db2.gz VFXROOBQCBYEMG-DOMZBBRYSA-N 0 0 387.311 2.771 10 0 GFAERN Cc1csc(C(=O)N[C@@H]2CCCC[C@@H]2CO)c1I ZINC000188408817 552444557 /nfs/dbraw/zinc/44/45/57/552444557.db2.gz MLYIMQMIOVVAAI-NXEZZACHSA-N 0 0 379.263 2.942 10 0 GFAERN O=C(Nc1nnc(C(F)(F)F)s1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188430110 552445093 /nfs/dbraw/zinc/44/50/93/552445093.db2.gz WZUCEINNMSARQP-IUCAKERBSA-N 0 0 378.401 2.858 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)CCCCOc1ccc(Br)cc1 ZINC000188886878 552457786 /nfs/dbraw/zinc/45/77/86/552457786.db2.gz LWTXVYBWSKVTIM-ZDUSSCGKSA-N 0 0 383.286 2.735 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)Nc2ccccc2Br)C1 ZINC000189329138 552468755 /nfs/dbraw/zinc/46/87/55/552468755.db2.gz ORCXZYMNAKOPQA-SMDDNHRTSA-N 0 0 395.257 2.541 10 0 GFAERN Cc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1Br ZINC000190352719 552493417 /nfs/dbraw/zinc/49/34/17/552493417.db2.gz VYFAODAJRREXNH-OAHLLOKOSA-N 0 0 390.281 2.653 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000190638420 552504278 /nfs/dbraw/zinc/50/42/78/552504278.db2.gz JWPXJCGHKFHFFT-SNVBAGLBSA-N 0 0 376.201 2.860 10 0 GFAERN CCn1cc([C@H]2CN(CC(=O)Nc3ccccc3Br)CCO2)cn1 ZINC000190750066 552508089 /nfs/dbraw/zinc/50/80/89/552508089.db2.gz CICPUYCYUXKVJK-MRXNPFEDSA-N 0 0 393.285 2.678 10 0 GFAERN C[C@H]1OCCC[C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000190906235 552512759 /nfs/dbraw/zinc/51/27/59/552512759.db2.gz RUURELFYHNQDSX-DOMZBBRYSA-N 0 0 383.286 2.500 10 0 GFAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2cccs2)CC1 ZINC000192232638 552557377 /nfs/dbraw/zinc/55/73/77/552557377.db2.gz CUBSEZBABRDNJQ-AWEZNQCLSA-N 0 0 388.555 2.565 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCCCOc1ccc(Cl)cc1Cl)C(C)C ZINC000192662720 552971361 /nfs/dbraw/zinc/97/13/61/552971361.db2.gz NYQZFDIDOIMPOG-CQSZACIVSA-N 0 0 376.284 2.832 10 0 GFAERN C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(Cl)s1 ZINC000192739541 552972937 /nfs/dbraw/zinc/97/29/37/552972937.db2.gz IWUULEUPSSUZLT-ZETCQYMHSA-N 0 0 379.916 2.671 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)Cc1ccc(Cl)c(F)c1)CC2 ZINC000192827404 552975164 /nfs/dbraw/zinc/97/51/64/552975164.db2.gz XRSGRNZSSSNQPA-GFCCVEGCSA-N 0 0 386.880 2.628 10 0 GFAERN CCOC(=O)[C@H](NS(=O)(=O)c1cn(C(C)C)cn1)c1ccc(Cl)cc1 ZINC000192989603 552979486 /nfs/dbraw/zinc/97/94/86/552979486.db2.gz NAHSAJOZLCQFFE-OAHLLOKOSA-N 0 0 385.873 2.700 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)C2)cn1 ZINC000193560233 552996801 /nfs/dbraw/zinc/99/68/01/552996801.db2.gz ONEZISLMNUOJJX-BDJLRTHQSA-N 0 0 376.254 2.502 10 0 GFAERN CCn1c(C)nnc1C[S@](=O)Cc1ccc(I)cc1 ZINC000194306141 553017193 /nfs/dbraw/zinc/01/71/93/553017193.db2.gz DQCYIAANFSBNGP-LJQANCHMSA-N 0 0 389.262 2.660 10 0 GFAERN Cn1c(C[S@](=O)Cc2ccn(-c3ccc(Cl)cc3)n2)nnc1C1CC1 ZINC000194323393 553017808 /nfs/dbraw/zinc/01/78/08/553017808.db2.gz YVQSKUPVYRCIIA-RUZDIDTESA-N 0 0 375.885 2.981 10 0 GFAERN COC(=O)c1ccsc1N1CC[C@@H](N2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000245496503 553091639 /nfs/dbraw/zinc/09/16/39/553091639.db2.gz RMWBFBCSOICSDF-ZYHUDNBSSA-N 0 0 376.400 2.914 10 0 GFAERN NC(=O)[C@@H](c1cccc(Br)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000245897758 553098889 /nfs/dbraw/zinc/09/88/89/553098889.db2.gz SUQJVFNSMZIFCB-CHWSQXEVSA-N 0 0 382.283 2.506 10 0 GFAERN CCNc1ncc(C(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)s1 ZINC000245914654 553099313 /nfs/dbraw/zinc/09/93/13/553099313.db2.gz DZGRIIZIYHESPA-QWHCGFSZSA-N 0 0 380.539 2.828 10 0 GFAERN C[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000246575339 553110162 /nfs/dbraw/zinc/11/01/62/553110162.db2.gz YFMKWLGJQMPQCM-OAUYIBNBSA-N 0 0 387.307 2.596 10 0 GFAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000247015775 553117415 /nfs/dbraw/zinc/11/74/15/553117415.db2.gz OUNAYPZDHQNIHO-RNJTYBCJSA-N 0 0 393.325 2.732 10 0 GFAERN C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247807454 553125886 /nfs/dbraw/zinc/12/58/86/553125886.db2.gz TUXWWLSTAVUIIV-ZIAGYGMSSA-N 0 0 392.301 2.780 10 0 GFAERN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC[C@@H](C)O3)C2=O)ccc1Br ZINC000248916051 553137436 /nfs/dbraw/zinc/13/74/36/553137436.db2.gz WBEZIYHAAZNWRM-UGFHNGPFSA-N 0 0 381.270 2.547 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000262704585 553173825 /nfs/dbraw/zinc/17/38/25/553173825.db2.gz JABYMBWORLYWSB-UHFFFAOYSA-N 0 0 385.291 2.980 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2cc(F)ccc2Br)C1 ZINC000262741288 553174536 /nfs/dbraw/zinc/17/45/36/553174536.db2.gz WJGONXBACIPJHI-UHFFFAOYSA-N 0 0 399.260 2.646 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000262921098 553179057 /nfs/dbraw/zinc/17/90/57/553179057.db2.gz KZMNODYNMCUCPH-UHFFFAOYSA-N 0 0 388.295 2.803 10 0 GFAERN CNS(=O)(=O)c1ccc(N[C@H]2CCc3cc(Br)ccc32)nc1 ZINC000301245747 563397936 /nfs/dbraw/zinc/39/79/36/563397936.db2.gz OAFFVJCIIXSRMX-AWEZNQCLSA-N 0 0 382.283 2.852 10 0 GFAERN CCc1cnc([C@H](C)Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)s1 ZINC000301520302 563405724 /nfs/dbraw/zinc/40/57/24/563405724.db2.gz DAOAVXSXVNFXJY-JTQLQIEISA-N 0 0 388.536 2.686 10 0 GFAERN Cn1nc(Br)c2c1ncnc2N(CCO)Cc1cccc(Cl)c1 ZINC000302721775 563429078 /nfs/dbraw/zinc/42/90/78/563429078.db2.gz LOEMAMFXFBIRIZ-UHFFFAOYSA-N 0 0 396.676 2.778 10 0 GFAERN CCN1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000380153304 563514302 /nfs/dbraw/zinc/51/43/02/563514302.db2.gz XQWHJJRZQJSKGB-JTQLQIEISA-N 0 0 381.723 2.865 10 0 GFAERN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)COCc1ccccc1 ZINC000390409962 563523003 /nfs/dbraw/zinc/52/30/03/563523003.db2.gz DLDQCKUXSADKGN-ZDUSSCGKSA-N 0 0 383.491 2.727 10 0 GFAERN O=C(c1ccc(F)cc1I)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398690581 563532947 /nfs/dbraw/zinc/53/29/47/563532947.db2.gz NRJIXGVYRVQWLX-UMNHJUIQSA-N 0 0 389.208 2.663 10 0 GFAERN O=C1CC[C@H](Nc2ccnc3cc(Br)cnc32)[C@H]([C@H]2CCCO2)N1 ZINC000367758858 563854228 /nfs/dbraw/zinc/85/42/28/563854228.db2.gz RRMYXHXGBMDNOW-FABXCBLPSA-N 0 0 391.269 2.630 10 0 GFAERN Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O)CCC2 ZINC000368355988 563868924 /nfs/dbraw/zinc/86/89/24/563868924.db2.gz UFIBEZQQEZMFMO-BPLDGKMQSA-N 0 0 385.555 2.826 10 0 GFAERN CN1C[C@@H](CNc2ncc(C(F)(F)F)cc2I)CC1=O ZINC000601195664 565770894 /nfs/dbraw/zinc/77/08/94/565770894.db2.gz SEMMYHAEFIIFIL-SSDOTTSWSA-N 0 0 399.154 2.595 10 0 GFAERN CCOC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)C(C)C)CC2 ZINC000014534214 570313070 /nfs/dbraw/zinc/31/30/70/570313070.db2.gz LJDWUVWCPQKBNO-UHFFFAOYSA-N 0 0 385.464 2.657 10 0 GFAERN CCCCC(=O)NCCNC(=O)c1csc(COc2ccccc2OC)n1 ZINC000034905643 570338995 /nfs/dbraw/zinc/33/89/95/570338995.db2.gz LMCAADMWDFFHEK-UHFFFAOYSA-N 0 0 391.493 2.767 10 0 GFAERN CCOC(=O)/C(=C\C(F)(F)F)C[C@@H](NC(=O)c1ccccc1)C(=O)OCC ZINC000032629256 570512389 /nfs/dbraw/zinc/51/23/89/570512389.db2.gz HTXXXLHPBYEURZ-YBEMTRGBSA-N 0 0 387.354 2.790 10 0 GFAERN COC(=O)[C@@H](NC(=O)c1nc(N2CCCC2)nc2c1CCCC2)c1ccccc1 ZINC000012091720 570607652 /nfs/dbraw/zinc/60/76/52/570607652.db2.gz UVICQINKYCOOJD-SFHVURJKSA-N 0 0 394.475 2.600 10 0 GFAERN O=C(c1cccc2nc[nH]c21)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000275732974 570699186 /nfs/dbraw/zinc/69/91/86/570699186.db2.gz UVAHUSCHZHCTAZ-OAHLLOKOSA-N 0 0 377.448 2.852 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Cl)c2ncccc12 ZINC000157050047 570789224 /nfs/dbraw/zinc/78/92/24/570789224.db2.gz TVCAKXVTTWCKFK-ZDUSSCGKSA-N 0 0 391.884 2.856 10 0 GFAERN C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000017852016 654522109 /nfs/dbraw/zinc/52/21/09/654522109.db2.gz XHYGTGDUVLKKRY-JTQLQIEISA-N 0 0 383.267 2.588 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(I)c1 ZINC000025531682 654550855 /nfs/dbraw/zinc/55/08/55/654550855.db2.gz ABANHRKTMDAUQT-SECBINFHSA-N 0 0 384.173 2.641 10 0 GFAERN COC(=O)[C@H](c1cccc(Br)c1)N(C)C[C@@H](O)COC(C)(C)C ZINC000122328339 654734130 /nfs/dbraw/zinc/73/41/30/654734130.db2.gz LJLKXEUCKFMQKD-CABCVRRESA-N 0 0 388.302 2.771 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000052605704 654737368 /nfs/dbraw/zinc/73/73/68/654737368.db2.gz SGPYLMFMGVWTBY-CQSZACIVSA-N 0 0 378.416 2.526 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(Cc3cc(O)ccc3Br)CCO2)n1 ZINC000122629740 654741158 /nfs/dbraw/zinc/74/11/58/654741158.db2.gz YHMYRDKPRAHZLV-INIZCTEOSA-N 0 0 380.286 2.869 10 0 GFAERN O=C(c1ccsc1)N1CCCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000055286238 654772774 /nfs/dbraw/zinc/77/27/74/654772774.db2.gz HTFCEAPRWSIITE-RIYZIHGNSA-N 0 0 376.503 2.897 10 0 GFAERN C[C@H](NC(=O)Nc1nnc(C(F)(F)F)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000124826228 654781851 /nfs/dbraw/zinc/78/18/51/654781851.db2.gz ZXYFALWCBGXWQJ-ZETCQYMHSA-N 0 0 394.400 2.843 10 0 GFAERN COc1ccc(C(=O)O[C@@H](C)[C@@H]2CCOC2)cc1I ZINC000126163765 654809439 /nfs/dbraw/zinc/80/94/39/654809439.db2.gz ONAIUHJIULRMLJ-GXSJLCMTSA-N 0 0 376.190 2.882 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)NCc2ccc(O)c(Br)c2)cn1 ZINC000126167532 654809849 /nfs/dbraw/zinc/80/98/49/654809849.db2.gz KVEALQONHSRIMZ-CQSZACIVSA-N 0 0 379.258 2.935 10 0 GFAERN Cc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000127528580 654831432 /nfs/dbraw/zinc/83/14/32/654831432.db2.gz BZKJSUOZNLGWBR-GFCCVEGCSA-N 0 0 384.299 2.669 10 0 GFAERN CCS(=O)(=O)N1CCC(C(=O)O[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000061206200 654837460 /nfs/dbraw/zinc/83/74/60/654837460.db2.gz FPODQVGBDUCWGZ-LBPRGKRZSA-N 0 0 382.507 2.962 10 0 GFAERN CSCC[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)c1nc2ccccc2[nH]1 ZINC000129944506 654878439 /nfs/dbraw/zinc/87/84/39/654878439.db2.gz GLYMTMFVJDVRTQ-CQSZACIVSA-N 0 0 383.539 2.687 10 0 GFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000132220665 654929579 /nfs/dbraw/zinc/92/95/79/654929579.db2.gz OSSVLNCDIGIEPB-OAHLLOKOSA-N 0 0 381.885 2.901 10 0 GFAERN Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2COc3ccccc32)c1 ZINC000133965189 654978774 /nfs/dbraw/zinc/97/87/74/654978774.db2.gz SAXWTMCDCNMBOV-AWEZNQCLSA-N 0 0 375.222 2.946 10 0 GFAERN C[C@@H](NC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1cccc(Br)c1 ZINC000069921985 654989205 /nfs/dbraw/zinc/98/92/05/654989205.db2.gz JFSLTSNDMTXLQP-GHMZBOCLSA-N 0 0 377.304 2.585 10 0 GFAERN COc1ncccc1NC(=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000070955632 654997302 /nfs/dbraw/zinc/99/73/02/654997302.db2.gz SCAIOWHUUAAVMT-SNVBAGLBSA-N 0 0 378.226 2.669 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccnc1-n1cccn1)c1ccc(Cl)s1 ZINC000071017298 654998467 /nfs/dbraw/zinc/99/84/67/654998467.db2.gz AVRKAZUTWMILPC-SNVBAGLBSA-N 0 0 375.841 2.798 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)[C@@H]3COc4ccc(Br)cc43)C2)cn1 ZINC000134993938 655006973 /nfs/dbraw/zinc/00/69/73/655006973.db2.gz QXGBAWWGHATJLJ-IAQYHMDHSA-N 0 0 376.254 2.675 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cc(OC)c(Br)s2)CCN1CCOC ZINC000135102467 655009651 /nfs/dbraw/zinc/00/96/51/655009651.db2.gz NNOJNUAMIYCVQE-LLVKDONJSA-N 0 0 391.331 2.702 10 0 GFAERN C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000096658565 655031918 /nfs/dbraw/zinc/03/19/18/655031918.db2.gz CURLVDKAXXWHNE-GHMZBOCLSA-N 0 0 379.345 2.758 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc(Cl)s1 ZINC000102082927 655050521 /nfs/dbraw/zinc/05/05/21/655050521.db2.gz ZBYPCDQBIKEDEV-LURJTMIESA-N 0 0 393.774 2.925 10 0 GFAERN Cn1c2ccc(Cl)cc2n(CN2CCO[C@H](Cn3cccn3)C2)c1=S ZINC000152793129 655061879 /nfs/dbraw/zinc/06/18/79/655061879.db2.gz POWZVXNNMZCQLI-AWEZNQCLSA-N 0 0 377.901 2.918 10 0 GFAERN CCCn1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)cn1 ZINC000152912438 655062686 /nfs/dbraw/zinc/06/26/86/655062686.db2.gz DJNQVFPCOKSNAH-LLVKDONJSA-N 0 0 379.258 2.872 10 0 GFAERN COCCNc1nn(CN2CCc3c(nc(C(C)C)n3C)C2)c(=S)s1 ZINC000153044103 655064161 /nfs/dbraw/zinc/06/41/61/655064161.db2.gz WQLLVKVMCVSZEB-UHFFFAOYSA-N 0 0 382.559 2.605 10 0 GFAERN Cc1csc([C@@H]2CN([C@H](C(N)=O)c3ccc(Br)cc3)CCO2)n1 ZINC000104681351 655083790 /nfs/dbraw/zinc/08/37/90/655083790.db2.gz XMAHUIDNXOYMNA-KBPBESRZSA-N 0 0 396.310 2.814 10 0 GFAERN Cc1nc(CN2CCCN(Cc3ccc(F)c(Br)c3)CC2)no1 ZINC000106146463 655104081 /nfs/dbraw/zinc/10/40/81/655104081.db2.gz SKZDBTJLIBSTNH-UHFFFAOYSA-N 0 0 383.265 2.988 10 0 GFAERN COc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)c(Br)c1OC ZINC000106189218 655104765 /nfs/dbraw/zinc/10/47/65/655104765.db2.gz GXJAEWMUFVFXJQ-CQSZACIVSA-N 0 0 396.285 2.564 10 0 GFAERN COc1ccc([C@H](OC(=O)CNC(C)=O)C(F)(F)F)cc1Br ZINC000159589850 655115378 /nfs/dbraw/zinc/11/53/78/655115378.db2.gz NCXWCOXIXGWKSL-LBPRGKRZSA-N 0 0 384.148 2.740 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3sccc3Br)CC2)cn1 ZINC000107253392 655119106 /nfs/dbraw/zinc/11/91/06/655119106.db2.gz VNRWDCBBNKNEMS-UHFFFAOYSA-N 0 0 383.315 2.592 10 0 GFAERN COC(=O)[C@@H]1CCCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000109130630 655142243 /nfs/dbraw/zinc/14/22/43/655142243.db2.gz WXKLCCUTGXUWOU-AWEZNQCLSA-N 0 0 394.269 2.950 10 0 GFAERN C[C@H](CCNS(=O)(=O)c1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC000170940424 655147443 /nfs/dbraw/zinc/14/74/43/655147443.db2.gz KGFQNIBKAYEEAY-SECBINFHSA-N 0 0 382.404 2.686 10 0 GFAERN COc1cc(Br)ccc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000109630309 655149202 /nfs/dbraw/zinc/14/92/02/655149202.db2.gz OVMGHWIEQTXHLK-UHFFFAOYSA-N 0 0 391.269 2.600 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)Cn3nc(C)c(Cl)c3C)CC2)cs1 ZINC000109652220 655149766 /nfs/dbraw/zinc/14/97/66/655149766.db2.gz DXQTXDJAIMCBMR-UHFFFAOYSA-N 0 0 381.933 2.653 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3cc(F)ccc3Br)CC2)cn1 ZINC000109659351 655150207 /nfs/dbraw/zinc/15/02/07/655150207.db2.gz UTEXYMCMFGOAND-UHFFFAOYSA-N 0 0 395.276 2.670 10 0 GFAERN C[C@@H]1CN(Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)CCS1 ZINC000171606817 655152978 /nfs/dbraw/zinc/15/29/78/655152978.db2.gz MLXAPWUDQLXPMB-LLVKDONJSA-N 0 0 387.552 2.609 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(Br)ccc2O)C1 ZINC000109855486 655153487 /nfs/dbraw/zinc/15/34/87/655153487.db2.gz IWQQWAIDAGUNDQ-LLVKDONJSA-N 0 0 379.258 2.786 10 0 GFAERN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCO[C@H](c2nccs2)C1 ZINC000111343870 655169230 /nfs/dbraw/zinc/16/92/30/655169230.db2.gz DBEXKQRTZYPNCJ-LBPRGKRZSA-N 0 0 378.397 2.924 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@H]1N1CCOCC1 ZINC000173403447 655170086 /nfs/dbraw/zinc/17/00/86/655170086.db2.gz DENRGNPFTZLMHV-DGCLKSJQSA-N 0 0 381.885 2.849 10 0 GFAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000173721003 655177588 /nfs/dbraw/zinc/17/75/88/655177588.db2.gz DFVUDHGAYHLVAF-CQSZACIVSA-N 0 0 379.507 2.978 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000112036796 655181083 /nfs/dbraw/zinc/18/10/83/655181083.db2.gz SQDFNWHBBKMGER-GFCCVEGCSA-N 0 0 393.285 2.914 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000173928286 655185995 /nfs/dbraw/zinc/18/59/95/655185995.db2.gz XJOGXZKUKNQPCU-ZDUSSCGKSA-N 0 0 376.425 2.643 10 0 GFAERN CC(C)n1nnnc1CS(=O)(=O)Cc1cc(Br)ccc1Cl ZINC000173939980 655186894 /nfs/dbraw/zinc/18/68/94/655186894.db2.gz KINPJXAHGHFQFZ-UHFFFAOYSA-N 0 0 393.694 2.785 10 0 GFAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cc(Br)cnc3N(C)C)C2)c1 ZINC000113174026 655204532 /nfs/dbraw/zinc/20/45/32/655204532.db2.gz AOMBMKLVARMXLS-CQSZACIVSA-N 0 0 392.301 2.892 10 0 GFAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@H](C)c1ccccc1Br ZINC000113369177 655208757 /nfs/dbraw/zinc/20/87/57/655208757.db2.gz UWTZTSMKPZKDEA-NWDGAFQWSA-N 0 0 391.331 2.975 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc3cc(Br)ccc3[nH]1)CC2 ZINC000114862944 655229783 /nfs/dbraw/zinc/22/97/83/655229783.db2.gz QYIZZSHQAFBZNE-GFCCVEGCSA-N 0 0 388.269 2.829 10 0 GFAERN CCn1cc([C@H]2CN(S(=O)(=O)/C=C/c3ccccc3Cl)CCO2)cn1 ZINC000275339277 655230696 /nfs/dbraw/zinc/23/06/96/655230696.db2.gz RHXMVYVEGFKKQO-PYUISTEWSA-N 0 0 381.885 2.930 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1csc(Br)c1)CC2 ZINC000114978486 655231247 /nfs/dbraw/zinc/23/12/47/655231247.db2.gz RDEUQZTUKPJISP-LLVKDONJSA-N 0 0 398.330 2.821 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000176120153 655235442 /nfs/dbraw/zinc/23/54/42/655235442.db2.gz ADXNGYIDBJMWNH-GHMZBOCLSA-N 0 0 379.463 2.596 10 0 GFAERN Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176131500 655236201 /nfs/dbraw/zinc/23/62/01/655236201.db2.gz RQEWRVJUZWCWHC-CYBMUJFWSA-N 0 0 388.269 2.955 10 0 GFAERN Cc1ccc(I)c(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116118608 655244224 /nfs/dbraw/zinc/24/42/24/655244224.db2.gz IUMYICBZEFNJJT-LBPRGKRZSA-N 0 0 395.244 2.963 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cc(Br)cn3C)CC2)cs1 ZINC000116468490 655248468 /nfs/dbraw/zinc/24/84/68/655248468.db2.gz WESDGZZRTYQPEJ-UHFFFAOYSA-N 0 0 397.342 2.901 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)Nc3nnc(C(F)F)s3)CC2)cs1 ZINC000116492348 655248628 /nfs/dbraw/zinc/24/86/28/655248628.db2.gz RUUCYHJIDHGXOY-UHFFFAOYSA-N 0 0 388.469 2.980 10 0 GFAERN C[C@@H]1CN([C@@H](CNC(=O)c2cc(N)nc(Cl)c2)c2cccs2)CCO1 ZINC000176598945 655250744 /nfs/dbraw/zinc/25/07/44/655250744.db2.gz NMBLGOQCRXTQQB-YPMHNXCESA-N 0 0 380.901 2.571 10 0 GFAERN O=C(N[C@H]1CCCn2ncnc21)NC1(c2cccc(Br)c2)CC1 ZINC000176602885 655251038 /nfs/dbraw/zinc/25/10/38/655251038.db2.gz QYLLYHHZXTWQMR-ZDUSSCGKSA-N 0 0 376.258 2.864 10 0 GFAERN COCC[S@](=O)Cc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000116711514 655251710 /nfs/dbraw/zinc/25/17/10/655251710.db2.gz XHBJKIUWZFRJLM-XOJVXBCLSA-N 0 0 379.503 2.994 10 0 GFAERN CSc1ccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000176848567 655258217 /nfs/dbraw/zinc/25/82/17/655258217.db2.gz PTYHHICGVKELOX-LLVKDONJSA-N 0 0 378.885 2.750 10 0 GFAERN CCN1C(=S)N=NC1[C@@H]1CCCN(S(=O)(=O)C=Cc2ccccc2)C1 ZINC000117926848 655270127 /nfs/dbraw/zinc/27/01/27/655270127.db2.gz YUUPKLIEZRTONV-HBIYDYFMSA-N 0 0 378.523 2.767 10 0 GFAERN CO[C@H](C(=O)OCCNC(=O)c1cncc(Br)c1)c1ccccc1 ZINC000118160329 655272985 /nfs/dbraw/zinc/27/29/85/655272985.db2.gz XZYQNZFVUNTYPU-HNNXBMFYSA-N 0 0 393.237 2.505 10 0 GFAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000177438271 655277009 /nfs/dbraw/zinc/27/70/09/655277009.db2.gz NTACFEARRKMYBP-OAHLLOKOSA-N 0 0 382.844 2.805 10 0 GFAERN Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cnc1Cl ZINC000177559106 655281286 /nfs/dbraw/zinc/28/12/86/655281286.db2.gz XWSAYGSRLHNUDO-HNNXBMFYSA-N 0 0 379.869 2.835 10 0 GFAERN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177554614 655281450 /nfs/dbraw/zinc/28/14/50/655281450.db2.gz ZUBXODBZJXPVEX-CABZTGNLSA-N 0 0 378.778 2.965 10 0 GFAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccccc3Br)C2)c1 ZINC000177674056 655285358 /nfs/dbraw/zinc/28/53/58/655285358.db2.gz LXHBRBCHUZDPAY-ZDUSSCGKSA-N 0 0 391.269 2.756 10 0 GFAERN Cc1cccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1Br ZINC000119057862 655288429 /nfs/dbraw/zinc/28/84/29/655288429.db2.gz MXWJNAWKUVGVBW-UHFFFAOYSA-N 0 0 391.313 2.839 10 0 GFAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCc2cc(Br)cc(F)c21 ZINC000177884465 655290009 /nfs/dbraw/zinc/29/00/09/655290009.db2.gz ANQOPRMPSHUMGP-GFCCVEGCSA-N 0 0 380.221 2.787 10 0 GFAERN C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1F ZINC000177968061 655293130 /nfs/dbraw/zinc/29/31/30/655293130.db2.gz HFDVDCBCUNVUQC-NOZJJQNGSA-N 0 0 394.262 2.616 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000119372195 655301263 /nfs/dbraw/zinc/30/12/63/655301263.db2.gz GSNXMKFTFHWKRS-SECBINFHSA-N 0 0 385.791 2.933 10 0 GFAERN COCCN1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000180014024 655320971 /nfs/dbraw/zinc/32/09/71/655320971.db2.gz FSJIAQUMTIQGGG-WBMJQRKESA-N 0 0 375.296 2.596 10 0 GFAERN CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000120085454 655327144 /nfs/dbraw/zinc/32/71/44/655327144.db2.gz JVFSLDCZZQOTLA-NSHDSACASA-N 0 0 380.246 2.576 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(Br)c(C)c3)CCO2)c1 ZINC000120664161 655341708 /nfs/dbraw/zinc/34/17/08/655341708.db2.gz WQMQITRWCDZIMA-HNNXBMFYSA-N 0 0 378.270 2.804 10 0 GFAERN C[C@@H](OC(=O)c1cc(C(N)=O)cn1C)c1ccc(I)cc1 ZINC000121116222 655347733 /nfs/dbraw/zinc/34/77/33/655347733.db2.gz KBTLJVYFVHAJKP-SECBINFHSA-N 0 0 398.200 2.647 10 0 GFAERN C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000185115300 655362577 /nfs/dbraw/zinc/36/25/77/655362577.db2.gz OELCVNBYKVVRIX-DGCLKSJQSA-N 0 0 375.282 2.791 10 0 GFAERN O=C(CNC(=O)N[C@H]1COc2ccccc21)Nc1ccc(Br)cc1 ZINC000194683206 655417089 /nfs/dbraw/zinc/41/70/89/655417089.db2.gz STAYVPJVMFXAJV-AWEZNQCLSA-N 0 0 390.237 2.821 10 0 GFAERN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCS[C@@H](C)C1 ZINC000195223301 655419482 /nfs/dbraw/zinc/41/94/82/655419482.db2.gz URSLIDXAUBUJQB-VIFPVBQESA-N 0 0 395.300 2.792 10 0 GFAERN COCCOc1cc(C(=O)N2CCC(O)CC2)cc2oc(Br)cc21 ZINC000223648281 655422324 /nfs/dbraw/zinc/42/23/24/655422324.db2.gz CFVLQWOSCCRHQQ-UHFFFAOYSA-N 0 0 398.253 2.817 10 0 GFAERN O=S(=O)(c1cc(Br)cnc1Cl)N1CCO[C@@H]2CCCC[C@H]21 ZINC000226936245 655422755 /nfs/dbraw/zinc/42/27/55/655422755.db2.gz TZZJXRGFGRSIFT-GHMZBOCLSA-N 0 0 395.706 2.830 10 0 GFAERN CC[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000246487946 655430159 /nfs/dbraw/zinc/43/01/59/655430159.db2.gz RQIUUXITPRUMJJ-JCURWCKSSA-N 0 0 389.323 2.721 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000262947387 655448075 /nfs/dbraw/zinc/44/80/75/655448075.db2.gz IHQMUBWFCKRSPM-ZDUSSCGKSA-N 0 0 388.555 2.605 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)c2cccc(Br)c2)C1 ZINC000263090337 655449512 /nfs/dbraw/zinc/44/95/12/655449512.db2.gz VNVOQBXHFBIKBM-VCANKDNSSA-N 0 0 398.301 2.747 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc3ccc(Cl)c(Cl)c3n2)CCO1 ZINC000263408537 655451520 /nfs/dbraw/zinc/45/15/20/655451520.db2.gz LLWOWYOWDJQUCK-GFCCVEGCSA-N 0 0 384.263 2.763 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000702796535 655521915 /nfs/dbraw/zinc/52/19/15/655521915.db2.gz SODLTYQNYDVIKE-RISCZKNCSA-N 0 0 389.279 2.951 10 0 GFAERN COC(=O)c1cc(=O)nc(NC(=O)Nc2cc(Cl)nc(Cl)c2)s1 ZINC000002581903 203950271 /nfs/dbraw/zinc/95/02/71/203950271.db2.gz BUFTXUPWUFUIHK-UHFFFAOYSA-N 0 0 375.193 2.636 10 0 GFAERN COCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000004800024 204076523 /nfs/dbraw/zinc/07/65/23/204076523.db2.gz YPEOZRYTBVDRCE-PZJWPPBQSA-N 0 0 398.459 2.561 10 0 GFAERN COCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000004800023 204077399 /nfs/dbraw/zinc/07/73/99/204077399.db2.gz YPEOZRYTBVDRCE-TZIWHRDSSA-N 0 0 398.459 2.561 10 0 GFAERN Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)c1 ZINC000004906180 204089806 /nfs/dbraw/zinc/08/98/06/204089806.db2.gz KGBXWMUYERNHGC-UHFFFAOYSA-N 0 0 391.471 2.828 10 0 GFAERN O=C(NCCCCCCNC(=O)N1CCCCCC1=O)N1CCCCCC1=O ZINC000005188410 204117300 /nfs/dbraw/zinc/11/73/00/204117300.db2.gz YOVRNJUIHVNXCB-UHFFFAOYSA-N 0 0 394.516 2.771 10 0 GFAERN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCCCCC3)ccc21 ZINC000004971675 204098577 /nfs/dbraw/zinc/09/85/77/204098577.db2.gz CVLPBOQSPCMIMP-UHFFFAOYSA-N 0 0 392.521 2.552 10 0 GFAERN CCc1cc(Cc2ccc(N3C(=O)C=CC3=O)cc2)ccc1N1C(=O)C=CC1=O ZINC000005956238 204159170 /nfs/dbraw/zinc/15/91/70/204159170.db2.gz HYBCCAMTKDXYQQ-UHFFFAOYSA-N 0 0 386.407 2.699 10 0 GFAERN COc1cc(/C=C\C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)ccc1O ZINC000006055865 204163530 /nfs/dbraw/zinc/16/35/30/204163530.db2.gz BUUAYOKUROKIRY-WMZJFQQLSA-N 0 0 384.388 2.554 10 0 GFAERN CCCNC(=O)[C@@H](C)n1c2ccccc2c(=O)n(-c2ccc(OCC)cc2)c1=O ZINC000006766740 204201919 /nfs/dbraw/zinc/20/19/19/204201919.db2.gz UVHGWCBBKSDJKS-OAHLLOKOSA-N 0 0 395.459 2.638 10 0 GFAERN CNC(=O)CN(C)c1nc(CN2CCC(C)CC2)nc2sc(C)c(C)c21 ZINC000008936627 204294645 /nfs/dbraw/zinc/29/46/45/204294645.db2.gz LKRJNWGGTGECLN-UHFFFAOYSA-N 0 0 375.542 2.722 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3ccccc3C2)cc1 ZINC000008979545 204295117 /nfs/dbraw/zinc/29/51/17/204295117.db2.gz MEBFDFBNQWOAHB-HXUWFJFHSA-N 0 0 384.501 2.733 10 0 GFAERN O=C(c1ccccc1)N1c2ccccc2C[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000009737332 204322550 /nfs/dbraw/zinc/32/25/50/204322550.db2.gz IXZDSNLNOIAHIQ-FQEVSTJZSA-N 0 0 392.455 2.624 10 0 GFAERN COc1cccc(C[C@]2(CCC(=O)N[C@@H](C)c3cn(C)nc3C)CCC(=O)N2)c1 ZINC000011840468 204355440 /nfs/dbraw/zinc/35/54/40/204355440.db2.gz LDMSJNYKORDQSC-NYHFZMIOSA-N 0 0 398.507 2.586 10 0 GFAERN CC[C@@H]1CN(CCNC(=O)c2cc(C)nn2CC)Cc2cc(OC)ccc2O1 ZINC000011976859 204366408 /nfs/dbraw/zinc/36/64/08/204366408.db2.gz WSCOYEHQNNBVJX-QGZVFWFLSA-N 0 0 386.496 2.623 10 0 GFAERN CC1(C)CS(=O)(=O)N(c2cc(C(=O)NC3CCCC3)ccc2Cl)C1=O ZINC000012004036 204366871 /nfs/dbraw/zinc/36/68/71/204366871.db2.gz ZZNVIRPRGCGNKN-UHFFFAOYSA-N 0 0 384.885 2.715 10 0 GFAERN CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000022060674 204773060 /nfs/dbraw/zinc/77/30/60/204773060.db2.gz VRADRJBKILTRPZ-XLGSXJLYSA-N 0 0 388.552 2.785 10 0 in-vitro GFAERN COc1ccc([C@H]2CN(C(=O)CC(C)(C)C)C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000036041802 205002568 /nfs/dbraw/zinc/00/25/68/205002568.db2.gz CGQWZTZTQYIOAI-RTBURBONSA-N 0 0 388.508 2.532 10 0 GFAERN COCCN(Cc1ccc(F)cc1F)C[C@H](O)COc1ccc(OC)cc1 ZINC000036099684 205006038 /nfs/dbraw/zinc/00/60/38/205006038.db2.gz SBBKJYBGVAMWLA-KRWDZBQOSA-N 0 0 381.419 2.862 10 0 GFAERN CCC[C@@H](O)CN(CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156765 205007463 /nfs/dbraw/zinc/00/74/63/205007463.db2.gz PFTPTHKGDDLVTM-CQSZACIVSA-N 0 0 393.553 2.863 10 0 GFAERN CC(C)(C)OC(=O)NC1CN([C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952031 205044883 /nfs/dbraw/zinc/04/48/83/205044883.db2.gz JCAUATLMQAILIA-KRWDZBQOSA-N 0 0 375.469 2.606 10 0 GFAERN Cc1ccc(Oc2[nH]cnc(=NNS(=O)(=O)c3ccc(C)cc3)c2N)cc1 ZINC000040794657 205072734 /nfs/dbraw/zinc/07/27/34/205072734.db2.gz QQUPVMKFPXZNBP-UHFFFAOYSA-N 0 0 385.449 2.773 10 0 GFAERN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCNC(=O)C1(C)C ZINC000055225982 205145950 /nfs/dbraw/zinc/14/59/50/205145950.db2.gz XRCBKVXKLYRNAC-UHFFFAOYSA-N 0 0 377.828 2.743 10 0 GFAERN COCCNC(=O)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000064957114 205202160 /nfs/dbraw/zinc/20/21/60/205202160.db2.gz OPOIOZSIDKZRFM-UHFFFAOYSA-N 0 0 394.475 2.968 10 0 GFAERN COc1cccc(CN2CCc3c(cc(C(=O)NCc4cccnc4)n3C)C2)c1 ZINC000065210962 205220095 /nfs/dbraw/zinc/22/00/95/205220095.db2.gz XOMVCFGJURYTFD-UHFFFAOYSA-N 0 0 390.487 2.917 10 0 GFAERN Cc1cc(C)cc(N2CC[C@@H](NS(=O)(=O)Cc3ccccc3F)C2=O)c1 ZINC000065229331 205220903 /nfs/dbraw/zinc/22/09/03/205220903.db2.gz HXZQJQYQYHGRMT-GOSISDBHSA-N 0 0 376.453 2.667 10 0 GFAERN Nn1c(=O)c2ccc(F)cc2nc1SCc1ccc(N2CCCC2=O)cc1 ZINC000071327735 205281556 /nfs/dbraw/zinc/28/15/56/205281556.db2.gz KSPONNMKZZZHJW-UHFFFAOYSA-N 0 0 384.436 2.669 10 0 GFAERN [NH3+][C@H](CO)c1c(Br)cc(Br)c([O-])c1Br ZINC000072199967 205318341 /nfs/dbraw/zinc/31/83/41/205318341.db2.gz PLEFWLPVXQTWQI-RXMQYKEDSA-N 0 0 389.869 2.672 10 0 GFAERN O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)nc1-c1ccccc1)NCC1CC1 ZINC000077380013 205361567 /nfs/dbraw/zinc/36/15/67/205361567.db2.gz PVEQROXPYVHDIN-UHFFFAOYSA-N 0 0 382.851 2.881 10 0 GFAERN COc1cc(C)nc(NC(=O)NC(=O)COc2ccc(Cl)cc2Cl)n1 ZINC000026895546 206005332 /nfs/dbraw/zinc/00/53/32/206005332.db2.gz ITPUZXMISVRQAM-UHFFFAOYSA-N 0 0 385.207 2.828 10 0 GFAERN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC(C)C)c2=O)cc1F ZINC000040478592 206193305 /nfs/dbraw/zinc/19/33/05/206193305.db2.gz FVTABKVCAAGIQD-UHFFFAOYSA-N 0 0 383.423 2.905 10 0 GFAERN COCCn1cc(CC(=O)N2CCN(c3ccccc3)CC2)c2cccnc21 ZINC000065156249 136159700 /nfs/dbraw/zinc/15/97/00/136159700.db2.gz VSYXOERTBXEKDT-UHFFFAOYSA-N 0 0 378.476 2.574 10 0 GFAERN COc1ccc(NC(=O)[C@H]2CCCN(c3cnc4nccnc4c3)C2)c(OC)c1 ZINC000065227083 136160363 /nfs/dbraw/zinc/16/03/63/136160363.db2.gz NVHPCYKAJLRSRO-AWEZNQCLSA-N 0 0 393.447 2.897 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCC(NC(=S)N3CCC(C)CC3)CC2)cc1 ZINC000085344937 525522404 /nfs/dbraw/zinc/52/24/04/525522404.db2.gz RAINJTKVCUDEPE-UHFFFAOYSA-N 0 0 395.594 2.755 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCC(NC(=S)N3CCCCCC3)CC2)cc1 ZINC000085344947 525522692 /nfs/dbraw/zinc/52/26/92/525522692.db2.gz JHDQCIGJXZTNOM-UHFFFAOYSA-N 0 0 395.594 2.899 10 0 GFAERN CCc1csc(-c2ccc(N3CCN(C(=O)c4ccnn4CC)CC3)nc2)n1 ZINC000065240782 536107936 /nfs/dbraw/zinc/10/79/36/536107936.db2.gz GFKRSMMXJLNHTR-UHFFFAOYSA-N 0 0 396.520 2.946 10 0 GFAERN C[C@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000049788094 551159369 /nfs/dbraw/zinc/15/93/69/551159369.db2.gz MDNOOHZUKADVQD-JQWIXIFHSA-N 0 0 394.324 2.778 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000068324071 551191447 /nfs/dbraw/zinc/19/14/47/551191447.db2.gz WZFYBATWBNHYLJ-GFCCVEGCSA-N 0 0 384.860 2.805 10 0 GFAERN OC[C@H]1CCCN1c1cc(NCCc2cc(Br)ccc2F)ncn1 ZINC000110289757 551203894 /nfs/dbraw/zinc/20/38/94/551203894.db2.gz NSOQGZWLQACLOX-CQSZACIVSA-N 0 0 395.276 2.994 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NCCc2cc(Br)ccc2F)ncn1 ZINC000110289762 551203903 /nfs/dbraw/zinc/20/39/03/551203903.db2.gz NSOQGZWLQACLOX-AWEZNQCLSA-N 0 0 395.276 2.994 10 0 GFAERN Brc1cccc(-c2c[nH]c(CN3CC[C@@H](N4CCOCC4)C3)n2)c1 ZINC000120960892 551223907 /nfs/dbraw/zinc/22/39/07/551223907.db2.gz ITFJJWZVOBEIOS-MRXNPFEDSA-N 0 0 391.313 2.746 10 0 GFAERN C[C@H](NC(=O)c1cc(F)c(F)cc1I)[C@H]1CCCO1 ZINC000121192034 551229175 /nfs/dbraw/zinc/22/91/75/551229175.db2.gz XHQBJCMTJGLVHK-JVXZTZIISA-N 0 0 381.160 2.867 10 0 GFAERN O=C(Nc1ccc(Br)c2ccccc12)C(=O)N1CCC[C@@H]1CO ZINC000121244094 551230106 /nfs/dbraw/zinc/23/01/06/551230106.db2.gz YCTWTRAXTHWWKE-LLVKDONJSA-N 0 0 377.238 2.524 10 0 GFAERN COC(=O)C[C@H](NC(=O)Cc1ccncc1)c1cccc(Br)c1 ZINC000121457766 551234578 /nfs/dbraw/zinc/23/45/78/551234578.db2.gz ZPNQRDXHBIISQL-HNNXBMFYSA-N 0 0 377.238 2.807 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000121692660 551239985 /nfs/dbraw/zinc/23/99/85/551239985.db2.gz WUHBFYMRFCMFQT-LBPRGKRZSA-N 0 0 382.251 2.737 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000121713510 551240148 /nfs/dbraw/zinc/24/01/48/551240148.db2.gz CFZXXGRSFSEUGY-GFCCVEGCSA-N 0 0 382.251 2.737 10 0 GFAERN Cc1ccc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCC3)c(Br)c1 ZINC000121743580 551241475 /nfs/dbraw/zinc/24/14/75/551241475.db2.gz MLJYGZVFNDVKFI-LLVKDONJSA-N 0 0 399.314 2.725 10 0 GFAERN COc1ccc(Br)c(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000122406583 551297800 /nfs/dbraw/zinc/29/78/00/551297800.db2.gz NEQFRFWHSJDJTD-INIZCTEOSA-N 0 0 380.286 2.864 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)COc1ccccc1Br)CC2 ZINC000122498169 551298947 /nfs/dbraw/zinc/29/89/47/551298947.db2.gz XFFABESVLIOTNJ-LBPRGKRZSA-N 0 0 393.285 2.674 10 0 GFAERN C[C@@H](CNC(=O)NCC(C)(C)c1ccccc1Br)N1CCOCC1 ZINC000123875345 551309371 /nfs/dbraw/zinc/30/93/71/551309371.db2.gz NLSBZIOOQQZRFL-AWEZNQCLSA-N 0 0 398.345 2.747 10 0 GFAERN CN1CCO[C@@H](CNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000126117824 551326664 /nfs/dbraw/zinc/32/66/64/551326664.db2.gz JNRHVUWILNSOQQ-HNNXBMFYSA-N 0 0 383.945 2.937 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000126896484 551334382 /nfs/dbraw/zinc/33/43/82/551334382.db2.gz GVOSFHQMLOBGGC-LLVKDONJSA-N 0 0 381.263 2.974 10 0 GFAERN COc1cc(C(=O)N2CCCN(c3cccnn3)CC2)sc1Br ZINC000130644482 551367760 /nfs/dbraw/zinc/36/77/60/551367760.db2.gz PFFUGAMGGCRNCH-UHFFFAOYSA-N 0 0 397.298 2.662 10 0 GFAERN CCC[C@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[n-]1)[NH+](C)C ZINC000131108860 551372403 /nfs/dbraw/zinc/37/24/03/551372403.db2.gz QPIPQGSOOUGRGJ-CYBMUJFWSA-N 0 0 380.290 2.581 10 0 GFAERN CCCCOCCN(C(=O)[C@@H](C)NC(N)=O)c1ccc(Br)cc1 ZINC000135648553 551388423 /nfs/dbraw/zinc/38/84/23/551388423.db2.gz GQAMCMRTSQXGPN-GFCCVEGCSA-N 0 0 386.290 2.656 10 0 GFAERN COC[C@H](C)CNC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC000139575761 551392094 /nfs/dbraw/zinc/39/20/94/551392094.db2.gz DBDOAHDNTSJKGO-BXUZGUMPSA-N 0 0 387.274 2.635 10 0 GFAERN Cc1ccc(I)cc1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000151012257 551405583 /nfs/dbraw/zinc/40/55/83/551405583.db2.gz CSHSIKXRGJGEGO-CQSZACIVSA-N 0 0 384.261 2.910 10 0 GFAERN Cc1ccc(I)cc1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000151012309 551405841 /nfs/dbraw/zinc/40/58/41/551405841.db2.gz CSHSIKXRGJGEGO-AWEZNQCLSA-N 0 0 384.261 2.910 10 0 GFAERN O=C(Cc1cc(Br)ccc1F)N1CCC[C@H](Cn2cncn2)C1 ZINC000151688242 551419326 /nfs/dbraw/zinc/41/93/26/551419326.db2.gz AWEHFSPSXFKHKY-LBPRGKRZSA-N 0 0 381.249 2.661 10 0 GFAERN COc1ccc(C(=O)N2CCS[C@H](C)C2)cc1I ZINC000152452637 551433146 /nfs/dbraw/zinc/43/31/46/551433146.db2.gz DNLHBZTXCVGOGY-SECBINFHSA-N 0 0 377.247 2.877 10 0 GFAERN O=C(Cc1c[nH]c2cccc(Br)c12)N1CCC[C@@H](n2cncn2)C1 ZINC000152968611 551443967 /nfs/dbraw/zinc/44/39/67/551443967.db2.gz PSWZJKFUGNTDGK-CYBMUJFWSA-N 0 0 388.269 2.928 10 0 GFAERN O=C(Cc1ccccc1I)N1CCC[C@@H]1Cn1ccnc1 ZINC000153886777 551462721 /nfs/dbraw/zinc/46/27/21/551462721.db2.gz ZFXQHPVDBJIWPN-CQSZACIVSA-N 0 0 395.244 2.721 10 0 GFAERN C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ncccc1Br)c1ccccc1 ZINC000154319066 551472051 /nfs/dbraw/zinc/47/20/51/551472051.db2.gz TVZSYVNPSIFRDV-RYUDHWBXSA-N 0 0 397.294 2.884 10 0 GFAERN CN(CCNc1nn2cc(C(C)(C)C)nc2s1)S(=O)(=O)c1cccs1 ZINC000154368580 551473223 /nfs/dbraw/zinc/47/32/23/551473223.db2.gz AEFDPLPOIMQDBN-UHFFFAOYSA-N 0 0 399.567 2.882 10 0 GFAERN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000154512584 551477042 /nfs/dbraw/zinc/47/70/42/551477042.db2.gz JFCUOLVLDSRKHT-WMLDXEAASA-N 0 0 381.314 2.561 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000154512460 551477229 /nfs/dbraw/zinc/47/72/29/551477229.db2.gz JFCUOLVLDSRKHT-PBHICJAKSA-N 0 0 381.314 2.561 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Br)cc1C ZINC000155194568 551494061 /nfs/dbraw/zinc/49/40/61/551494061.db2.gz AMGNQWQYCVGSSA-ZDUSSCGKSA-N 0 0 379.258 2.760 10 0 GFAERN Cc1csc([C@H]2CN([C@H](C(N)=O)c3cccc(Br)c3)CCO2)n1 ZINC000155341904 551497439 /nfs/dbraw/zinc/49/74/39/551497439.db2.gz ULADSCWYQSPURF-KGLIPLIRSA-N 0 0 396.310 2.814 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(I)c(F)c1 ZINC000155553853 551502526 /nfs/dbraw/zinc/50/25/26/551502526.db2.gz QXKLCRMQIIZLMF-GWCFXTLKSA-N 0 0 377.197 2.711 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000156016815 551512562 /nfs/dbraw/zinc/51/25/62/551512562.db2.gz LZPRFYSBAUIPEU-GFCCVEGCSA-N 0 0 379.873 2.575 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3c[nH]c4cccc(Br)c34)CCO2)[nH]1 ZINC000156529062 551524407 /nfs/dbraw/zinc/52/44/07/551524407.db2.gz KRVVHMUCYQACBR-CYBMUJFWSA-N 0 0 390.241 2.571 10 0 GFAERN Cc1nc(C[C@@H]2CCCN([C@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000156563176 551524946 /nfs/dbraw/zinc/52/49/46/551524946.db2.gz JAHPWTIKCLKUEF-LRDDRELGSA-N 0 0 393.285 2.622 10 0 GFAERN C[C@@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000156716891 551527299 /nfs/dbraw/zinc/52/72/99/551527299.db2.gz PNQFLAYCGRRTDJ-LLVKDONJSA-N 0 0 379.507 2.984 10 0 GFAERN OC[C@H]1CCCN1c1cc(NC[C@H](O)c2c(Cl)cccc2Cl)ncn1 ZINC000156855599 551529289 /nfs/dbraw/zinc/52/92/89/551529289.db2.gz HOMOSBKNEFQNGL-RISCZKNCSA-N 0 0 383.279 2.890 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Br)ccc1C ZINC000157094733 551533266 /nfs/dbraw/zinc/53/32/66/551533266.db2.gz FDDTWXXDGOTPPK-GFCCVEGCSA-N 0 0 399.314 2.725 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H](C)c3ccc(Br)cc3)CCO2)c1 ZINC000162624032 551610227 /nfs/dbraw/zinc/61/02/27/551610227.db2.gz BAABTEBDUVZYDU-RHSMWYFYSA-N 0 0 392.297 2.985 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164590242 551626500 /nfs/dbraw/zinc/62/65/00/551626500.db2.gz AAHPANIXYABUGN-GOEBONIOSA-N 0 0 381.263 2.602 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC000170754978 551638801 /nfs/dbraw/zinc/63/88/01/551638801.db2.gz KOVKZGUZIQCVFY-QWHCGFSZSA-N 0 0 378.226 2.691 10 0 GFAERN Brc1cc(CN2CCCN(c3cccnn3)CC2)cc2c1OCO2 ZINC000170938451 551643663 /nfs/dbraw/zinc/64/36/63/551643663.db2.gz OIJFRNZSIIAOMR-UHFFFAOYSA-N 0 0 391.269 2.680 10 0 GFAERN O[C@H](CN1CCN(Cc2cncc(Br)c2)CC1)c1ccccc1 ZINC000170935680 551643700 /nfs/dbraw/zinc/64/37/00/551643700.db2.gz KOFGVXGGSOPRHX-GOSISDBHSA-N 0 0 376.298 2.695 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000171071725 551645804 /nfs/dbraw/zinc/64/58/04/551645804.db2.gz UIWIBRBPGMPOFL-QPUJVOFHSA-N 0 0 384.807 2.552 10 0 GFAERN COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)Cc1nccn1C(C)C ZINC000171674518 551660913 /nfs/dbraw/zinc/66/09/13/551660913.db2.gz FLVDDKWPHXHKBT-UHFFFAOYSA-N 0 0 385.873 2.680 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCc3ccc(Cl)s3)CCO2)n1 ZINC000171902592 551666307 /nfs/dbraw/zinc/66/63/07/551666307.db2.gz VVEZTMXIXHCJJA-CQSZACIVSA-N 0 0 382.917 2.868 10 0 GFAERN Cc1csc(C(C)(C)NC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)n1 ZINC000172172299 551671758 /nfs/dbraw/zinc/67/17/58/551671758.db2.gz CWWBVEAOXQNVMM-CYBMUJFWSA-N 0 0 379.507 2.905 10 0 GFAERN CSc1ncc(Cl)c(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)n1 ZINC000172300738 551675185 /nfs/dbraw/zinc/67/51/85/551675185.db2.gz HXIKQMSDQGJLKT-LBPRGKRZSA-N 0 0 380.905 2.613 10 0 GFAERN C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(F)cc1Cl ZINC000172484087 551680029 /nfs/dbraw/zinc/68/00/29/551680029.db2.gz XHZCVOLZIUNSQR-QMMMGPOBSA-N 0 0 391.877 2.748 10 0 GFAERN O=C(CCSc1ccc(Br)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172743391 551686433 /nfs/dbraw/zinc/68/64/33/551686433.db2.gz FTIIWYBVQIAMRI-OAHLLOKOSA-N 0 0 399.354 2.864 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)COc3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173094091 551695755 /nfs/dbraw/zinc/69/57/55/551695755.db2.gz MOYZQAWGRWNPPG-CYBMUJFWSA-N 0 0 385.251 2.653 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(Cl)ccc3Br)CCO2)[nH]1 ZINC000173096896 551696142 /nfs/dbraw/zinc/69/61/42/551696142.db2.gz KEFCYKIHPUJYPR-LBPRGKRZSA-N 0 0 399.676 2.997 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H]3SCCc4sccc43)CCO2)n1 ZINC000173302144 552082255 /nfs/dbraw/zinc/08/22/55/552082255.db2.gz VHFXSSKATXQBIT-YOEHRIQHSA-N 0 0 377.535 2.819 10 0 GFAERN COC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1 ZINC000173817160 552092326 /nfs/dbraw/zinc/09/23/26/552092326.db2.gz NHRKJDQGDBAOIG-AWEZNQCLSA-N 0 0 380.491 2.806 10 0 GFAERN O=C(NCc1cc(F)ccc1Br)N1CCC[C@@H](n2cncn2)C1 ZINC000174170806 552101164 /nfs/dbraw/zinc/10/11/64/552101164.db2.gz SIXCMJJMQAXECM-CYBMUJFWSA-N 0 0 382.237 2.726 10 0 GFAERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)s1 ZINC000175016237 552113523 /nfs/dbraw/zinc/11/35/23/552113523.db2.gz CROMZGFZVXUVSP-GHMZBOCLSA-N 0 0 381.889 2.691 10 0 GFAERN Cc1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)N2CCOCC2)s1 ZINC000175215783 552117822 /nfs/dbraw/zinc/11/78/22/552117822.db2.gz IPZLHNVHKFJTPL-INIZCTEOSA-N 0 0 384.498 2.547 10 0 GFAERN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2)N2CCOCC2)s1 ZINC000175219120 552117944 /nfs/dbraw/zinc/11/79/44/552117944.db2.gz FPALXWUVAQHXPQ-INIZCTEOSA-N 0 0 384.498 2.547 10 0 GFAERN C[C@H]1CN([C@@H](CNS(=O)(=O)c2ccccc2F)c2cccs2)CCO1 ZINC000175223213 552118411 /nfs/dbraw/zinc/11/84/11/552118411.db2.gz FKCQRLRIRVMEDU-ZFWWWQNUSA-N 0 0 384.498 2.628 10 0 GFAERN COC(=O)c1ccc(CS(=O)(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000175380425 552120848 /nfs/dbraw/zinc/12/08/48/552120848.db2.gz VBPFHQUMEVMESU-OAHLLOKOSA-N 0 0 380.491 2.987 10 0 GFAERN O=C(CCc1ccc(Br)cc1)N1CCCN(c2cccnn2)CC1 ZINC000176316861 552138421 /nfs/dbraw/zinc/13/84/21/552138421.db2.gz GAUFJWJXBHFABL-UHFFFAOYSA-N 0 0 389.297 2.911 10 0 GFAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cc(Br)c[nH]1 ZINC000176540149 552140881 /nfs/dbraw/zinc/14/08/81/552140881.db2.gz MROOBIRCEJGKFU-CQSZACIVSA-N 0 0 398.326 2.984 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)Cc2c(C)noc2Cl)N2CCOCC2)s1 ZINC000176575358 552141809 /nfs/dbraw/zinc/14/18/09/552141809.db2.gz ZGSLWOOZRXHRDZ-CQSZACIVSA-N 0 0 383.901 2.739 10 0 GFAERN C[C@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)[C@@H]1CCCO1 ZINC000176678792 552143473 /nfs/dbraw/zinc/14/34/73/552143473.db2.gz YEVLJKDNGFONPM-NHYWBVRUSA-N 0 0 388.917 2.714 10 0 GFAERN COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)cc1Cl ZINC000177003295 552149455 /nfs/dbraw/zinc/14/94/55/552149455.db2.gz GCEKBTSJLVJRIN-NSHDSACASA-N 0 0 391.280 2.715 10 0 GFAERN C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2F)C[C@H]1N1CCOCC1 ZINC000177849654 552160029 /nfs/dbraw/zinc/16/00/29/552160029.db2.gz YNNQAENSHCIWGQ-IAQYHMDHSA-N 0 0 386.265 2.773 10 0 GFAERN Cc1csc(CNC(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)n1 ZINC000178487367 552171295 /nfs/dbraw/zinc/17/12/95/552171295.db2.gz QDDANPHDBUHGFW-CQSZACIVSA-N 0 0 380.539 2.694 10 0 GFAERN C[C@H](NC(=O)c1cc2c(c(Br)c1)OCO2)c1nnc2n1CCCC2 ZINC000178602792 552172999 /nfs/dbraw/zinc/17/29/99/552172999.db2.gz XBVGLYAIBZXJAF-VIFPVBQESA-N 0 0 393.241 2.597 10 0 GFAERN C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000179482658 552194468 /nfs/dbraw/zinc/19/44/68/552194468.db2.gz JCGREXXSQDMDIV-GFCCVEGCSA-N 0 0 392.253 2.504 10 0 GFAERN C[C@@H](N[C@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N1CCC(C(N)=O)CC1 ZINC000179542667 552196154 /nfs/dbraw/zinc/19/61/54/552196154.db2.gz WGDAPQNENXWFQA-NXEZZACHSA-N 0 0 390.286 2.896 10 0 GFAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000179644894 552198800 /nfs/dbraw/zinc/19/88/00/552198800.db2.gz BLNOSZCEHQIAMI-JKSUJKDBSA-N 0 0 379.865 2.798 10 0 GFAERN O=C(CSc1cccc(Br)c1)N1CCC[C@H](n2cncn2)C1 ZINC000179854952 552205118 /nfs/dbraw/zinc/20/51/18/552205118.db2.gz QYQWBJAJCRXPTN-ZDUSSCGKSA-N 0 0 381.299 2.996 10 0 GFAERN Cc1nc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)sc1Br ZINC000180110903 552213987 /nfs/dbraw/zinc/21/39/87/552213987.db2.gz HCPSHMUJROMZAK-MFKMUULPSA-N 0 0 395.344 2.530 10 0 GFAERN NC(=O)[C@H]1COCCN1C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000180272423 552220362 /nfs/dbraw/zinc/22/03/62/552220362.db2.gz OTNJHZQHAHREJT-SECBINFHSA-N 0 0 392.786 2.900 10 0 GFAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(Br)cc1C(F)(F)F ZINC000180532606 552229241 /nfs/dbraw/zinc/22/92/41/552229241.db2.gz SOKPICJPXJWQFS-VIFPVBQESA-N 0 0 389.175 2.804 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1cc(Br)ccc1=O)[C@@H](C)C2 ZINC000181222637 552250606 /nfs/dbraw/zinc/25/06/06/552250606.db2.gz MMRLTKIWRZKJAZ-KPZWWZAWSA-N 0 0 375.266 2.969 10 0 GFAERN COC(=O)c1ccc(Cl)c(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000181573909 552261384 /nfs/dbraw/zinc/26/13/84/552261384.db2.gz LRJPNBGALAPCGK-NSHDSACASA-N 0 0 382.869 2.625 10 0 GFAERN COC(=O)c1cc(NC(=O)[C@H](C)NC(=O)c2ccco2)ccc1Br ZINC000182007965 552272645 /nfs/dbraw/zinc/27/26/45/552272645.db2.gz VAAZBJDGCDDDQD-VIFPVBQESA-N 0 0 395.209 2.586 10 0 GFAERN C[C@@H]1CN(C(=O)CCc2cc(F)ccc2Br)C[C@H]1N1CCOCC1 ZINC000182484223 552285463 /nfs/dbraw/zinc/28/54/63/552285463.db2.gz QJTJGXSUKCUVGO-CXAGYDPISA-N 0 0 399.304 2.700 10 0 GFAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182552311 552287057 /nfs/dbraw/zinc/28/70/57/552287057.db2.gz WSXXNHGDWPLZTH-LLVKDONJSA-N 0 0 376.201 2.812 10 0 GFAERN COc1ccc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)nc1Br ZINC000183039061 552299051 /nfs/dbraw/zinc/29/90/51/552299051.db2.gz KCFVNBKOXQWMLT-GFCCVEGCSA-N 0 0 379.258 2.835 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000184820820 552345354 /nfs/dbraw/zinc/34/53/54/552345354.db2.gz IYQZMLQKXQZVDV-XJKSGUPXSA-N 0 0 384.318 2.608 10 0 GFAERN Cc1cnn(C[C@@H]2CN(Cc3nc4cc(Br)ccc4[nH]3)CCO2)c1 ZINC000184968440 552349450 /nfs/dbraw/zinc/34/94/50/552349450.db2.gz UDPARKDXKTVOFF-AWEZNQCLSA-N 0 0 390.285 2.731 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)N1Cc3cccc(Br)c3C1)CC2 ZINC000185397909 552362198 /nfs/dbraw/zinc/36/21/98/552362198.db2.gz VFSRZUXPJOINOG-GFCCVEGCSA-N 0 0 390.285 2.643 10 0 GFAERN O=S(=O)(N[C@H](Cc1ccccc1)C(F)(F)F)c1cnn(CC(F)F)c1 ZINC000188184443 552437983 /nfs/dbraw/zinc/43/79/83/552437983.db2.gz SHFRUMYGQOKUGB-GFCCVEGCSA-N 0 0 383.342 2.600 10 0 GFAERN C[C@@H](NC(=O)Cc1ccc(F)cc1Br)c1nnc2n1CCCC2 ZINC000188223664 552439747 /nfs/dbraw/zinc/43/97/47/552439747.db2.gz TWVRDKIYGDKELB-SNVBAGLBSA-N 0 0 381.249 2.936 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3cccc(Br)n3)CCO2)n1 ZINC000188621497 552449996 /nfs/dbraw/zinc/44/99/96/552449996.db2.gz ACZSIHSJLVYQNT-CYBMUJFWSA-N 0 0 394.273 2.590 10 0 GFAERN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC(NC(=O)C2CC2)C1 ZINC000189372438 552469665 /nfs/dbraw/zinc/46/96/65/552469665.db2.gz VUKOHFCFSLVENE-UHFFFAOYSA-N 0 0 381.910 2.805 10 0 GFAERN CNS(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2Cl)nc1 ZINC000190638707 552504245 /nfs/dbraw/zinc/50/42/45/552504245.db2.gz GUKCSGCEHLLIJT-SECBINFHSA-N 0 0 386.836 2.665 10 0 GFAERN Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000190875340 552512161 /nfs/dbraw/zinc/51/21/61/552512161.db2.gz KZHHVPCMIXBHDD-GFCCVEGCSA-N 0 0 386.265 2.835 10 0 GFAERN COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@H]1CCCO[C@H]1C ZINC000190892702 552512778 /nfs/dbraw/zinc/51/27/78/552512778.db2.gz IWOZQPLUGGYYDR-WFASDCNBSA-N 0 0 384.270 2.766 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCS1 ZINC000191191439 552521036 /nfs/dbraw/zinc/52/10/36/552521036.db2.gz HNYCQNVFGPASKK-ZETCQYMHSA-N 0 0 379.226 2.630 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000191339731 552525239 /nfs/dbraw/zinc/52/52/39/552525239.db2.gz OICDDULIEWCOEI-GFCCVEGCSA-N 0 0 382.302 2.647 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000191947158 552543835 /nfs/dbraw/zinc/54/38/35/552543835.db2.gz UQLGDALIOYWXPU-MUWHJKNJSA-N 0 0 381.148 2.811 10 0 GFAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1csc(C(F)(F)F)n1 ZINC000192144095 552553075 /nfs/dbraw/zinc/55/30/75/552553075.db2.gz ARTCDWITQFKILC-SECBINFHSA-N 0 0 376.381 2.810 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Nc3cncc(Br)c3)CCO2)cn1 ZINC000192371805 552561034 /nfs/dbraw/zinc/56/10/34/552561034.db2.gz UMDRLORSZUESQE-AWEZNQCLSA-N 0 0 380.246 2.666 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Br)c1 ZINC000192863756 552976618 /nfs/dbraw/zinc/97/66/18/552976618.db2.gz SDDOFAGQZBCESH-VIFPVBQESA-N 0 0 396.266 2.658 10 0 GFAERN CSC1(CNC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 ZINC000193238919 552987466 /nfs/dbraw/zinc/98/74/66/552987466.db2.gz IMYADBDRCNORRA-QMMMGPOBSA-N 0 0 387.288 2.990 10 0 GFAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000193271350 552988474 /nfs/dbraw/zinc/98/84/74/552988474.db2.gz UNMZUUUEUBOGCO-VHSXEESVSA-N 0 0 399.460 2.577 10 0 GFAERN O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000193449594 552993625 /nfs/dbraw/zinc/99/36/25/552993625.db2.gz RSVKUQKXQJCWAF-ZFWWWQNUSA-N 0 0 395.297 2.544 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000193538310 552996125 /nfs/dbraw/zinc/99/61/25/552996125.db2.gz QUPOBSUOSWMXQN-ZBFHGGJFSA-N 0 0 395.297 2.660 10 0 GFAERN CCOc1cc(C)nc(N2CCN(C(=O)c3ccoc3Br)CC2)n1 ZINC000193556227 552996497 /nfs/dbraw/zinc/99/64/97/552996497.db2.gz OUJHWHJPDNNNQN-UHFFFAOYSA-N 0 0 395.257 2.502 10 0 GFAERN CCOC(=O)[C@H](NC(=O)Cn1c(C)c(C)sc1=O)c1ccc(Cl)cc1 ZINC000193864695 553005227 /nfs/dbraw/zinc/00/52/27/553005227.db2.gz FJDSMNXBJMIJOI-OAHLLOKOSA-N 0 0 382.869 2.601 10 0 GFAERN COc1ccc(S(=O)(=O)N2CCO[C@@H](c3nc(C)cs3)C2)c(C)c1F ZINC000193953257 553008284 /nfs/dbraw/zinc/00/82/84/553008284.db2.gz RPIOISONGPPHNW-CYBMUJFWSA-N 0 0 386.470 2.670 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)ncc1Br ZINC000194147923 553012625 /nfs/dbraw/zinc/01/26/25/553012625.db2.gz JGLKLUITMPMHCJ-CYBMUJFWSA-N 0 0 392.257 2.568 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)Cc2cccc(Br)c2)C1 ZINC000194434876 553020996 /nfs/dbraw/zinc/02/09/96/553020996.db2.gz FJRRQHMCPIKYMA-WBMJQRKESA-N 0 0 382.302 2.690 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1COc2ccccc21 ZINC000195010505 553035804 /nfs/dbraw/zinc/03/58/04/553035804.db2.gz UUYHZUJHWZLBBJ-MWLCHTKSSA-N 0 0 395.278 2.879 10 0 GFAERN CN(CC(F)(F)F)C(=O)CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195401697 553047331 /nfs/dbraw/zinc/04/73/31/553047331.db2.gz CJPVNMZDHVDMQE-LLVKDONJSA-N 0 0 379.448 2.835 10 0 GFAERN O=S(=O)(c1c[nH]c2cccc(F)c21)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000195463706 553049541 /nfs/dbraw/zinc/04/95/41/553049541.db2.gz OVDNUGFBYVCDAZ-STQMWFEESA-N 0 0 380.466 2.765 10 0 GFAERN CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000226856378 553062191 /nfs/dbraw/zinc/06/21/91/553062191.db2.gz RXQONHONQQCPGU-GFCCVEGCSA-N 0 0 376.906 2.827 10 0 GFAERN O=S(=O)(NC[C@@H]1CCCC[C@H]1O)c1ccc(Cl)c(Br)c1 ZINC000236534756 553069084 /nfs/dbraw/zinc/06/90/84/553069084.db2.gz NFDSZKUAXWXWPP-TVQRCGJNSA-N 0 0 382.707 2.932 10 0 GFAERN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247583843 553123962 /nfs/dbraw/zinc/12/39/62/553123962.db2.gz IUFYKLUYWGQBAA-QWHCGFSZSA-N 0 0 383.279 2.918 10 0 GFAERN CCOCCN1CCN([C@H](C)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000247880479 553126727 /nfs/dbraw/zinc/12/67/27/553126727.db2.gz ZHANUJVJODYNNE-LSDHHAIUSA-N 0 0 398.345 2.819 10 0 GFAERN CC[C@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CCN1C[C@H](C)O ZINC000248658207 553132605 /nfs/dbraw/zinc/13/26/05/553132605.db2.gz XTBBPUNSINUFDS-STQMWFEESA-N 0 0 392.974 2.528 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248777416 553134989 /nfs/dbraw/zinc/13/49/89/553134989.db2.gz UOHQAQUSEDSABY-OWQGQXMQSA-N 0 0 380.282 2.906 10 0 GFAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249435278 553143277 /nfs/dbraw/zinc/14/32/77/553143277.db2.gz IJIQPUSCNQEZTF-JQWIXIFHSA-N 0 0 393.317 2.847 10 0 GFAERN CN(Cc1ccc(Cl)s1)C(=O)CN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263077994 553182011 /nfs/dbraw/zinc/18/20/11/553182011.db2.gz XHDOGHZGEGOIRQ-NXEZZACHSA-N 0 0 384.807 2.555 10 0 GFAERN COc1c2cc(-c3ccc(O)cc3O)c(=O)oc2cc2c1CC[C@@](C)(CO)O2 ZINC000003644977 560123916 /nfs/dbraw/zinc/12/39/16/560123916.db2.gz MOBCUWLJOZHPQL-NRFANRHFSA-N 0 0 384.384 2.956 10 0 endogenous,in-man GFAERN C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000373057486 563327358 /nfs/dbraw/zinc/32/73/58/563327358.db2.gz KNYKFOAWCSKVNK-RYUDHWBXSA-N 0 0 380.436 2.727 10 0 GFAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(Br)cc(Br)c1 ZINC000281728872 563385497 /nfs/dbraw/zinc/38/54/97/563385497.db2.gz GUJHJZZDHVCTES-CPCISQLKSA-N 0 0 390.075 2.609 10 0 GFAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375221379 563396172 /nfs/dbraw/zinc/39/61/72/563396172.db2.gz SRPYMRKLQRJIRX-KCPJHIHWSA-N 0 0 378.416 2.542 10 0 GFAERN CS(=O)(=O)N(CCOc1ccccc1Cl)Cc1cn2c(n1)CCCC2 ZINC000328643831 563462271 /nfs/dbraw/zinc/46/22/71/563462271.db2.gz YZFXRDFTAHUTAB-UHFFFAOYSA-N 0 0 383.901 2.713 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000328645898 563462366 /nfs/dbraw/zinc/46/23/66/563462366.db2.gz ZUGWSMRCKKKHRM-VHSXEESVSA-N 0 0 389.886 2.813 10 0 GFAERN C[C@H]1[C@H](O)CCCN1C(=O)c1cc(Cl)ccc1I ZINC000394986720 563531162 /nfs/dbraw/zinc/53/11/62/563531162.db2.gz AXPBFGBYVMNHEB-QPUJVOFHSA-N 0 0 379.625 2.930 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399013581 563533763 /nfs/dbraw/zinc/53/37/63/563533763.db2.gz SNNWVYNDKBDDFH-GARJFASQSA-N 0 0 380.329 2.601 10 0 GFAERN C[C@@H]1CC[C@H](O)CN1C(=O)c1cc(Cl)ccc1I ZINC000399154680 563533773 /nfs/dbraw/zinc/53/37/73/563533773.db2.gz AWGKBZHHDZMNDL-SCZZXKLOSA-N 0 0 379.625 2.930 10 0 GFAERN Cn1nc(C(F)(F)F)c(NC(=O)N2CCC[C@H](n3cncn3)C2)c1Cl ZINC000827928332 660523429 /nfs/dbraw/zinc/52/34/29/660523429.db2.gz WKTFHJMOGJFHPJ-QMMMGPOBSA-N 0 0 377.758 2.553 10 0 GFAERN Cc1cc(N2C[C@H](C(=O)N[C@H](C)[C@@H]3CCCO3)CC2=O)ccc1Br ZINC000027910030 654566383 /nfs/dbraw/zinc/56/63/83/654566383.db2.gz CACWWDIDCJVWSE-IOASZLSFSA-N 0 0 395.297 2.794 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000041758449 654630873 /nfs/dbraw/zinc/63/08/73/654630873.db2.gz RYTMWMFUCIJMRW-VIFPVBQESA-N 0 0 386.882 2.621 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1ccc(Br)c(F)c1)CC2 ZINC000122309622 654733275 /nfs/dbraw/zinc/73/32/75/654733275.db2.gz AUNAFCBRSIITNH-GFCCVEGCSA-N 0 0 395.276 2.977 10 0 GFAERN Cc1ccc(Br)c(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000123215561 654753542 /nfs/dbraw/zinc/75/35/42/654753542.db2.gz AINRXFUFGMEKTG-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cs1 ZINC000125346515 654791793 /nfs/dbraw/zinc/79/17/93/654791793.db2.gz MXRRLXNDSLJMDP-JKSUJKDBSA-N 0 0 379.503 2.880 10 0 GFAERN C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127385382 654828412 /nfs/dbraw/zinc/82/84/12/654828412.db2.gz OIOZQWYQKXIMCY-UONOGXRCSA-N 0 0 393.285 2.747 10 0 GFAERN Cc1cc(Cl)ccc1S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000128400604 654845828 /nfs/dbraw/zinc/84/58/28/654845828.db2.gz GNELTYMEIZRUSI-OAHLLOKOSA-N 0 0 380.901 2.728 10 0 GFAERN O=C(NCCc1cc(Cl)ccc1Br)N[C@@H]1CCc2ncnn2C1 ZINC000128838843 654852235 /nfs/dbraw/zinc/85/22/35/654852235.db2.gz CSZFGABYQSGSNY-GFCCVEGCSA-N 0 0 398.692 2.551 10 0 GFAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000131364468 654903790 /nfs/dbraw/zinc/90/37/90/654903790.db2.gz FQLVAXDVMBOLPV-RYUDHWBXSA-N 0 0 388.917 2.666 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000066918598 654921407 /nfs/dbraw/zinc/92/14/07/654921407.db2.gz WUXHNDPPVRXTEA-AORWBKJGSA-N 0 0 388.283 2.635 10 0 GFAERN COc1ccc(Br)c(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000133518954 654965686 /nfs/dbraw/zinc/96/56/86/654965686.db2.gz FGUUKOAPTMOJBF-LLVKDONJSA-N 0 0 393.285 2.917 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(Br)cc1F ZINC000070708890 654993757 /nfs/dbraw/zinc/99/37/57/654993757.db2.gz YOBYESSMBFLXFZ-LBPRGKRZSA-N 0 0 394.262 2.698 10 0 GFAERN C[C@@H](NC(=O)COc1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000135347203 655013995 /nfs/dbraw/zinc/01/39/95/655013995.db2.gz BUASLZBVLYMZHL-LLVKDONJSA-N 0 0 379.258 2.633 10 0 GFAERN COc1ccc(Br)cc1CC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135382772 655015107 /nfs/dbraw/zinc/01/51/07/655015107.db2.gz DPYWWMGUKSDPJK-NSHDSACASA-N 0 0 393.285 2.805 10 0 GFAERN COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000136789364 655035557 /nfs/dbraw/zinc/03/55/57/655035557.db2.gz NOZSFKFVKMMNJM-SECBINFHSA-N 0 0 386.832 2.626 10 0 GFAERN C[C@@H](OC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C1CCOCC1 ZINC000151554291 655052458 /nfs/dbraw/zinc/05/24/58/655052458.db2.gz IMLDUCPALOTRMG-SNVBAGLBSA-N 0 0 391.283 2.825 10 0 GFAERN C[C@@H](OC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)C1CCOCC1 ZINC000151593948 655052945 /nfs/dbraw/zinc/05/29/45/655052945.db2.gz QICPBRQJWFOGEX-VHSXEESVSA-N 0 0 390.299 2.987 10 0 GFAERN C[C@H](OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1C(F)(F)F ZINC000103675670 655075066 /nfs/dbraw/zinc/07/50/66/655075066.db2.gz SNDGBGOXZWXGFA-RYUDHWBXSA-N 0 0 379.400 2.981 10 0 GFAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000104736511 655084887 /nfs/dbraw/zinc/08/48/87/655084887.db2.gz FGXQRFOPMVESDP-LSDHHAIUSA-N 0 0 390.864 2.770 10 0 GFAERN Cc1ncc(CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)s1 ZINC000106090852 655102249 /nfs/dbraw/zinc/10/22/49/655102249.db2.gz YTNPDFMIIRAYAN-GFCCVEGCSA-N 0 0 379.917 2.645 10 0 GFAERN COCCN1CCN(Cc2nnc(-c3ccccc3Br)o2)C[C@H]1C ZINC000106109265 655103051 /nfs/dbraw/zinc/10/30/51/655103051.db2.gz FPISEEYKWZPTAQ-CYBMUJFWSA-N 0 0 395.301 2.652 10 0 GFAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3Cl)CCO2)c1 ZINC000106198036 655104956 /nfs/dbraw/zinc/10/49/56/655104956.db2.gz FTDKWKYSORKLMD-CQSZACIVSA-N 0 0 383.279 2.838 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C[C@H](O)c3cccc(Br)c3)CCO2)n1 ZINC000106202527 655104990 /nfs/dbraw/zinc/10/49/90/655104990.db2.gz RYLCPQOAGHEPDK-ROUUACIJSA-N 0 0 394.313 2.697 10 0 GFAERN CCN(CCS(C)(=O)=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000163508850 655135603 /nfs/dbraw/zinc/13/56/03/655135603.db2.gz ZVJSURHILOFPLW-LLVKDONJSA-N 0 0 377.304 2.586 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000170641257 655144684 /nfs/dbraw/zinc/14/46/84/655144684.db2.gz DKFUQDBBKOQRFJ-LBPRGKRZSA-N 0 0 378.416 2.865 10 0 GFAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c[nH]c1=O ZINC000170725811 655145540 /nfs/dbraw/zinc/14/55/40/655145540.db2.gz VQKRWXWCFCCBJZ-SNVBAGLBSA-N 0 0 388.262 2.769 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cncc(Br)c3)CC2)cs1 ZINC000109651216 655149834 /nfs/dbraw/zinc/14/98/34/655149834.db2.gz SVPYQQZRMOVHDK-UHFFFAOYSA-N 0 0 395.326 2.957 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000109854587 655153619 /nfs/dbraw/zinc/15/36/19/655153619.db2.gz GNDCDBOQZIORDC-LLVKDONJSA-N 0 0 379.258 2.786 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)COc3ccc(F)cc3Cl)CC2)s1 ZINC000110943559 655162213 /nfs/dbraw/zinc/16/22/13/655162213.db2.gz JIACFWNHFBCEDB-UHFFFAOYSA-N 0 0 383.876 2.967 10 0 GFAERN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111077637 655164012 /nfs/dbraw/zinc/16/40/12/655164012.db2.gz NNFSCDLUSLXMSZ-CHWSQXEVSA-N 0 0 384.263 2.885 10 0 GFAERN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083184 655164173 /nfs/dbraw/zinc/16/41/73/655164173.db2.gz RWQNRLYEVLKCRD-OCCSQVGLSA-N 0 0 384.263 2.885 10 0 GFAERN O=C(CCc1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111078871 655164196 /nfs/dbraw/zinc/16/41/96/655164196.db2.gz XCOOXSDIMNCOOB-MRXNPFEDSA-N 0 0 378.270 2.506 10 0 GFAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC000173282001 655167099 /nfs/dbraw/zinc/16/70/99/655167099.db2.gz JUOJVNJVUVGXKX-LBPRGKRZSA-N 0 0 380.495 2.510 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C)CCO2)n1 ZINC000111345073 655169370 /nfs/dbraw/zinc/16/93/70/655169370.db2.gz UIZQUSPRFPRPHL-MRXNPFEDSA-N 0 0 383.901 2.551 10 0 GFAERN CSc1ccc(CN(C)C(=O)CN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000111691769 655176457 /nfs/dbraw/zinc/17/64/57/655176457.db2.gz RFZMMNDQGYSHCZ-MRXNPFEDSA-N 0 0 377.535 2.897 10 0 GFAERN CNC(=O)c1ccc(NC(=O)N2CCO[C@H](c3nccs3)C2)cc1Cl ZINC000111732049 655176980 /nfs/dbraw/zinc/17/69/80/655176980.db2.gz JQWMBNOKRFAHBD-ZDUSSCGKSA-N 0 0 380.857 2.762 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc(F)cc3Br)CCO2)c1 ZINC000112064616 655181557 /nfs/dbraw/zinc/18/15/57/655181557.db2.gz LZLZUKRFIZLFSO-CYBMUJFWSA-N 0 0 382.233 2.634 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(F)cc3Br)CCO2)c1 ZINC000112064614 655181592 /nfs/dbraw/zinc/18/15/92/655181592.db2.gz LZLZUKRFIZLFSO-ZDUSSCGKSA-N 0 0 382.233 2.634 10 0 GFAERN C[C@H](NC(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000173906074 655184710 /nfs/dbraw/zinc/18/47/10/655184710.db2.gz BRVHDDVGSXRWMP-ZFWWWQNUSA-N 0 0 386.323 2.577 10 0 GFAERN O=C(N[C@H]1CCc2ncnn2C1)C1(c2cccc(Br)c2)CCCC1 ZINC000112655234 655194405 /nfs/dbraw/zinc/19/44/05/655194405.db2.gz MDIKRLPOFGOSAP-HNNXBMFYSA-N 0 0 389.297 2.984 10 0 GFAERN CCN(C(=O)N[C@@H](C)c1cccc(Br)c1)[C@@H](C)CS(C)(=O)=O ZINC000112715118 655196426 /nfs/dbraw/zinc/19/64/26/655196426.db2.gz OGVVAPHWSIVKCM-RYUDHWBXSA-N 0 0 391.331 2.975 10 0 GFAERN O=C(Nc1ccc(I)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000174289494 655197352 /nfs/dbraw/zinc/19/73/52/655197352.db2.gz NLPPQLJUFOCUEC-CYBMUJFWSA-N 0 0 397.220 2.752 10 0 GFAERN C[C@@H](OC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@@H]1CCOC1 ZINC000175289147 655218112 /nfs/dbraw/zinc/21/81/12/655218112.db2.gz FDSYCLNAIZNLKN-NXEZZACHSA-N 0 0 376.272 2.551 10 0 GFAERN CSC(C)(C)CNC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000175512905 655221858 /nfs/dbraw/zinc/22/18/58/655221858.db2.gz CECCLVPNEOUBPU-OAHLLOKOSA-N 0 0 377.535 2.941 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1ccccc1Br)CC2 ZINC000114865405 655230075 /nfs/dbraw/zinc/23/00/75/655230075.db2.gz XDPDSNPETSRDMW-ZDUSSCGKSA-N 0 0 377.286 2.667 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)CCc3ccc(Br)c(C)c3)CCO2)[nH]1 ZINC000176196703 655239357 /nfs/dbraw/zinc/23/93/57/655239357.db2.gz HZPGKDAOFSKGOG-HNNXBMFYSA-N 0 0 393.285 2.717 10 0 GFAERN CCOCCN1CCN(S(=O)(=O)c2cccc3c2N=S=N3)C[C@@H]1CC ZINC000116899238 655255916 /nfs/dbraw/zinc/25/59/16/655255916.db2.gz VTLWOUUTVPNKMA-ZDUSSCGKSA-N 0 0 384.527 2.534 10 0 GFAERN Cc1cnn(CCNC(=O)c2cnn(-c3cccc(Br)c3)c2C)c1 ZINC000117811725 655268330 /nfs/dbraw/zinc/26/83/30/655268330.db2.gz TYWOBGVNJJLZBV-UHFFFAOYSA-N 0 0 388.269 2.878 10 0 GFAERN Cc1cnn(CCNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c1 ZINC000117808483 655268358 /nfs/dbraw/zinc/26/83/58/655268358.db2.gz FDGKUDAZDFYRBR-CYBMUJFWSA-N 0 0 381.263 2.668 10 0 GFAERN O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177518867 655279230 /nfs/dbraw/zinc/27/92/30/655279230.db2.gz GRAMMMYORNWDON-NSHDSACASA-N 0 0 386.260 2.989 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cccc(Br)c1 ZINC000177587255 655282925 /nfs/dbraw/zinc/28/29/25/655282925.db2.gz OTQDEFMWTIHONK-JTQLQIEISA-N 0 0 378.288 2.800 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)NCCSC(F)(F)F)N2CCOCC2)s1 ZINC000178574707 655304950 /nfs/dbraw/zinc/30/49/50/655304950.db2.gz COFXAFODAJUJTR-GFCCVEGCSA-N 0 0 397.488 2.982 10 0 GFAERN CC(C)CN1CCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000119577512 655307664 /nfs/dbraw/zinc/30/76/64/655307664.db2.gz RWIKAXQFEQOYFR-LLVKDONJSA-N 0 0 380.482 2.595 10 0 GFAERN C[C@@H](NC(=O)NC[C@@H]1COC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000180308571 655325281 /nfs/dbraw/zinc/32/52/81/655325281.db2.gz JZGXGEAHPAMYGH-IUODEOHRSA-N 0 0 399.285 2.731 10 0 GFAERN COC(=O)C[C@@H](NC(=O)c1ccc(OC)c(Br)n1)c1ccccc1 ZINC000180642130 655329078 /nfs/dbraw/zinc/32/90/78/655329078.db2.gz RHILOYYTBAGIKH-CYBMUJFWSA-N 0 0 393.237 2.887 10 0 GFAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CCCOc1cccc(Br)c1 ZINC000120264226 655333219 /nfs/dbraw/zinc/33/32/19/655333219.db2.gz PUGFKJVSQHPSEO-OAHLLOKOSA-N 0 0 383.286 2.687 10 0 GFAERN COC(=O)C[C@H](NC(=O)CCc1ccnn1C)c1cccc(Br)c1 ZINC000120617032 655340637 /nfs/dbraw/zinc/34/06/37/655340637.db2.gz OBUHPUQUOBRVIX-HNNXBMFYSA-N 0 0 394.269 2.536 10 0 GFAERN CCOC[C@H](C)OC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000190745253 655394667 /nfs/dbraw/zinc/39/46/67/655394667.db2.gz OQWATPRBRUGMKY-QMMMGPOBSA-N 0 0 379.150 2.781 10 0 GFAERN C[C@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)c1ccc(Br)o1 ZINC000223530650 655422250 /nfs/dbraw/zinc/42/22/50/655422250.db2.gz RVSLCTZLYIAGDS-LURJTMIESA-N 0 0 379.136 2.869 10 0 GFAERN Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cnc1Cl ZINC000246716276 655430375 /nfs/dbraw/zinc/43/03/75/655430375.db2.gz NUOHEMGWOJBRTQ-NHYWBVRUSA-N 0 0 388.823 2.818 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(c2ncc(Cl)cc2Br)CC1 ZINC000263563543 655452648 /nfs/dbraw/zinc/45/26/48/655452648.db2.gz UGPVIJLPMPKKPF-LLVKDONJSA-N 0 0 376.682 2.873 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC000702796712 655521904 /nfs/dbraw/zinc/52/19/04/655521904.db2.gz OHUIWFQLMCIJSW-MFKMUULPSA-N 0 0 389.279 2.951 10 0 GFAERN C[C@H](NC(=O)c1cc(Br)ccc1Br)c1cn(C)nn1 ZINC000720613260 655524510 /nfs/dbraw/zinc/52/45/10/655524510.db2.gz ALJTXTLVTKEBKS-ZETCQYMHSA-N 0 0 388.063 2.831 10 0 GFAERN CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3ccnc(Cl)c3Cl)C2)nn1 ZINC000908098750 664082860 /nfs/dbraw/zinc/08/28/60/664082860.db2.gz XQKRDDPHLPFQKJ-MRXNPFEDSA-N 0 0 384.267 2.685 10 0 GFAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)c1ccc(C2SCCCS2)cc1 ZINC000909158015 664147135 /nfs/dbraw/zinc/14/71/35/664147135.db2.gz UXQQRLGYDCYTFM-PMPSAXMXSA-N 0 0 375.519 2.856 10 0 GFAERN O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000912939926 664311222 /nfs/dbraw/zinc/31/12/22/664311222.db2.gz DRFVMPFCIWHVNK-GOEBONIOSA-N 0 0 381.263 2.969 10 0 GFAERN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000013543876 203829493 /nfs/dbraw/zinc/82/94/93/203829493.db2.gz QQHNZZAZZVXEJM-LPHOPBHVSA-N 0 0 398.459 2.592 10 0 GFAERN COC(=O)c1scc(C)c1NC(=O)c1sc2ncn(C)c(=O)c2c1C ZINC000006720570 204194145 /nfs/dbraw/zinc/19/41/45/204194145.db2.gz POCJMPPVKYSYLG-UHFFFAOYSA-N 0 0 377.447 2.712 10 0 GFAERN COCCNC(=O)CCC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000006766147 204202255 /nfs/dbraw/zinc/20/22/55/204202255.db2.gz QTULOHVACPKYCD-FQEVSTJZSA-N 0 0 389.883 2.616 10 0 GFAERN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000007006937 204229927 /nfs/dbraw/zinc/22/99/27/204229927.db2.gz PUDUFRQLDOKGCY-QGZVFWFLSA-N 0 0 390.505 2.997 10 0 GFAERN COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCCCCC2)c1 ZINC000011663180 204349413 /nfs/dbraw/zinc/34/94/13/204349413.db2.gz JIZCOJWOXYUVCL-HXUWFJFHSA-N 0 0 387.524 2.615 10 0 GFAERN C[C@H]1CN(CC(=O)NCc2cc(-c3ccccc3)n[nH]2)Cc2ccccc2O1 ZINC000011788535 204352533 /nfs/dbraw/zinc/35/25/33/204352533.db2.gz OBKDNXHCBBNNLL-INIZCTEOSA-N 0 0 376.460 2.976 10 0 GFAERN C/C(Cl)=C\Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000026743478 204848440 /nfs/dbraw/zinc/84/84/40/204848440.db2.gz LEPWNUWRQOBYTD-DHZHZOJOSA-N 0 0 376.869 2.858 10 0 GFAERN CCN(CC[NH+](C)C)c1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000033253548 204951488 /nfs/dbraw/zinc/95/14/88/204951488.db2.gz DAUVWPQNUWDKOV-UHFFFAOYSA-N 0 0 391.493 2.574 10 0 GFAERN COc1cc([C@@H]2c3cc4c(cc3NC3=COC(=O)C32)OCCO4)cc2c1OCO2 ZINC000036559088 205018130 /nfs/dbraw/zinc/01/81/30/205018130.db2.gz YOHQGFGRJUQCTH-GOSISDBHSA-N 0 0 395.367 2.563 10 0 GFAERN O=C(Cc1cccs1)NCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064990967 205205461 /nfs/dbraw/zinc/20/54/61/205205461.db2.gz BJCPJSOBOUTEBC-UHFFFAOYSA-N 0 0 376.438 2.850 10 0 GFAERN CN(C)C(=O)c1ccc2c(c1)nc(CN(C)C(=O)NCc1ccc(F)cc1)n2C ZINC000065008452 205206622 /nfs/dbraw/zinc/20/66/22/205206622.db2.gz LDHJWAAWSJNKCV-UHFFFAOYSA-N 0 0 397.454 2.756 10 0 GFAERN CN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N2CCCCCC2)CC1 ZINC000065165945 205213962 /nfs/dbraw/zinc/21/39/62/205213962.db2.gz MJBWPVHGVABOEM-UHFFFAOYSA-N 0 0 384.524 2.803 10 0 GFAERN CCNc1cc(N2CCC(CCC(=O)NCc3c(C)nn(C)c3C)CC2)ncn1 ZINC000065274064 205225668 /nfs/dbraw/zinc/22/56/68/205225668.db2.gz KTKPSXNYKVRZOA-UHFFFAOYSA-N 0 0 399.543 2.572 10 0 GFAERN CCc1ccc(S(=O)(=O)N2CC[C@H](Cc3nc4cccnc4n3C)C2)cc1 ZINC000065292581 205227627 /nfs/dbraw/zinc/22/76/27/205227627.db2.gz HSUBTNICBRPZHE-MRXNPFEDSA-N 0 0 384.505 2.784 10 0 GFAERN Cc1cc(C)cc(N2CC[C@H](NS(=O)(=O)Cc3ccccc3F)C2=O)c1 ZINC000065229330 205220956 /nfs/dbraw/zinc/22/09/56/205220956.db2.gz HXZQJQYQYHGRMT-SFHVURJKSA-N 0 0 376.453 2.667 10 0 GFAERN COc1cc(OC)c(NC(=O)NCc2nc(C)cc(N(C)C)n2)cc1Cl ZINC000224188011 206014888 /nfs/dbraw/zinc/01/48/88/206014888.db2.gz NZVDVNUKSPCGRO-UHFFFAOYSA-N 0 0 379.848 2.843 10 0 GFAERN CCN(CC)c1nc(Cl)nc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 ZINC000027792809 206016649 /nfs/dbraw/zinc/01/66/49/206016649.db2.gz KYXBPYCFEQPXPM-UHFFFAOYSA-N 0 0 387.875 2.913 10 0 GFAERN O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cnc2sccn2c1=O ZINC000028234045 206035500 /nfs/dbraw/zinc/03/55/00/206035500.db2.gz ALKKBRXOBXQCPU-UHFFFAOYSA-N 0 0 385.836 2.907 10 0 GFAERN Cc1cc(NC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)no1 ZINC000027973685 206024588 /nfs/dbraw/zinc/02/45/88/206024588.db2.gz REKQJSVEXRSTCY-UHFFFAOYSA-N 0 0 379.218 2.513 10 0 GFAERN COc1ccc(C(=O)NCCc2nnc(Cc3ccc(F)cc3)[nH]2)c(OC)c1 ZINC000064969394 206105383 /nfs/dbraw/zinc/10/53/83/206105383.db2.gz FWDVXZYGZYHUSR-UHFFFAOYSA-N 0 0 384.411 2.524 10 0 GFAERN CCOCc1nn2c(nc(COC(=O)c3ccc(Cl)cc3)cc2=O)s1 ZINC000041077267 206194779 /nfs/dbraw/zinc/19/47/79/206194779.db2.gz SBLZPGQLUOJIQU-UHFFFAOYSA-N 0 0 379.825 2.698 10 0 GFAERN COc1cccc(-c2cnnc(N3CCN(Cc4ccc(C)cc4)C(=O)C3)n2)c1 ZINC000012072335 221147193 /nfs/dbraw/zinc/14/71/93/221147193.db2.gz LWRGVXQWFQBMFW-UHFFFAOYSA-N 0 0 389.459 2.704 10 0 GFAERN CCCn1ncc(N2CCC(C(=O)N[C@H](C)c3ccc(OC)cc3)CC2)cc1=O ZINC000065311421 136163123 /nfs/dbraw/zinc/16/31/23/136163123.db2.gz FGGXOCFLXAVYDH-MRXNPFEDSA-N 0 0 398.507 2.756 10 0 GFAERN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)[C@@H](C)C2=O)cc1F ZINC000096294875 136186131 /nfs/dbraw/zinc/18/61/31/136186131.db2.gz VTFMFEJAEGHESE-ZDUSSCGKSA-N 0 0 380.416 2.699 10 0 GFAERN CN(CC(=O)N1CCC[C@@H]1c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000116045372 551211365 /nfs/dbraw/zinc/21/13/65/551211365.db2.gz DWXMOEJIVSMKSC-OAHLLOKOSA-N 0 0 382.869 2.917 10 0 GFAERN CCOCCN1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@@H]1C ZINC000120910076 551222532 /nfs/dbraw/zinc/22/25/32/551222532.db2.gz RKLFTSBPVYAUQJ-ZDUSSCGKSA-N 0 0 378.897 2.519 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)CCc2cc(Br)cs2)n1 ZINC000121147252 551228132 /nfs/dbraw/zinc/22/81/32/551228132.db2.gz SAPMKDXJMDFFKS-GFCCVEGCSA-N 0 0 386.271 2.735 10 0 GFAERN O=S(=O)(Cc1ccc(Br)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000121648406 551238891 /nfs/dbraw/zinc/23/88/91/551238891.db2.gz OQBGODHQSWYNDB-INIZCTEOSA-N 0 0 397.294 2.827 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000122791545 551301928 /nfs/dbraw/zinc/30/19/28/551301928.db2.gz FAEIYHLBSNSZSP-NSHDSACASA-N 0 0 384.527 2.597 10 0 GFAERN Cc1cc(Br)cc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000124333648 551313295 /nfs/dbraw/zinc/31/32/95/551313295.db2.gz BGWSYMUEOWWYJH-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN CCNc1ncc(C(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)s1 ZINC000129598587 551358257 /nfs/dbraw/zinc/35/82/57/551358257.db2.gz DZGRIIZIYHESPA-OLZOCXBDSA-N 0 0 380.539 2.828 10 0 GFAERN OC[C@@H]1CCCN(c2cc(NCCc3ccc(Br)o3)ncn2)C1 ZINC000132124528 551377091 /nfs/dbraw/zinc/37/70/91/551377091.db2.gz RHAAWBUKBQLXKV-GFCCVEGCSA-N 0 0 381.274 2.695 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3cc(Cl)cc(Br)c3)CCO2)[nH]1 ZINC000132878031 551380161 /nfs/dbraw/zinc/38/01/61/551380161.db2.gz SMTKKHLRHCIAAT-GFCCVEGCSA-N 0 0 399.676 2.997 10 0 GFAERN O=C(Cc1cc(F)ccc1Br)N[C@H]1CCCN(c2cccnn2)C1 ZINC000134079436 551384585 /nfs/dbraw/zinc/38/45/85/551384585.db2.gz IVTFEDAWYKFGOK-AWEZNQCLSA-N 0 0 393.260 2.706 10 0 GFAERN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000152008701 551424862 /nfs/dbraw/zinc/42/48/62/551424862.db2.gz MYQMSUWDFNKMCE-QWHCGFSZSA-N 0 0 380.238 2.897 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)c2cccc(I)c2C)C1 ZINC000152721285 551438671 /nfs/dbraw/zinc/43/86/71/551438671.db2.gz SJBKSUQMSAVNRS-LLVKDONJSA-N 0 0 387.217 2.625 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3ccncc3Br)CC2)cs1 ZINC000152854596 551441043 /nfs/dbraw/zinc/44/10/43/551441043.db2.gz QDUBDJSLTKMYLG-UHFFFAOYSA-N 0 0 395.326 2.957 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cnn(CC(F)(F)F)c1)c1ccc(Cl)s1 ZINC000153280518 551449347 /nfs/dbraw/zinc/44/93/47/551449347.db2.gz FKVMPEGCQVNAMP-SSDOTTSWSA-N 0 0 380.779 2.976 10 0 GFAERN CSC[C@@H]1CCCN1C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000153721982 551458863 /nfs/dbraw/zinc/45/88/63/551458863.db2.gz LHLDIRXFBRFCDS-HOTGVXAUSA-N 0 0 383.583 2.967 10 0 GFAERN Cc1cc(S(=O)(=O)NCCNc2ccc(Br)cn2)c(C)s1 ZINC000154386327 551473727 /nfs/dbraw/zinc/47/37/27/551473727.db2.gz FSAYMBCWYDNCTD-UHFFFAOYSA-N 0 0 390.328 2.913 10 0 GFAERN O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000154442151 551475210 /nfs/dbraw/zinc/47/52/10/551475210.db2.gz QZRIAXDCZZCKSK-ZANVPECISA-N 0 0 389.677 2.708 10 0 GFAERN CCn1cnnc1C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000154993006 551488177 /nfs/dbraw/zinc/48/81/77/551488177.db2.gz NYUZQNAQCBSROH-UHFFFAOYSA-N 0 0 386.880 2.800 10 0 GFAERN Cn1nccc1C1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000155394843 551499066 /nfs/dbraw/zinc/49/90/66/551499066.db2.gz MTVYHALUAKAXSF-MRXNPFEDSA-N 0 0 377.286 2.589 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155819096 551508637 /nfs/dbraw/zinc/50/86/37/551508637.db2.gz SAGHQONNUVMNPI-ZANVPECISA-N 0 0 389.677 2.708 10 0 GFAERN CCn1ccnc1CS(=O)(=O)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000156263251 551518578 /nfs/dbraw/zinc/51/85/78/551518578.db2.gz ZEDSMYZGNCUORM-INIZCTEOSA-N 0 0 383.539 2.783 10 0 GFAERN CCc1nnc([C@@H]2CN(Cc3cc(Br)c(OC)s3)CCO2)[nH]1 ZINC000156705456 551527159 /nfs/dbraw/zinc/52/71/59/551527159.db2.gz OROQZZXBWRUAQT-NSHDSACASA-N 0 0 387.303 2.773 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc(Br)cc2OC)C1 ZINC000157044124 551532601 /nfs/dbraw/zinc/53/26/01/551532601.db2.gz NKAIYGGXEGEFCE-ZDUSSCGKSA-N 0 0 383.286 2.979 10 0 GFAERN O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@@H]1CCCC[C@H]1CO ZINC000157205679 551535160 /nfs/dbraw/zinc/53/51/60/551535160.db2.gz YHBZASMRRBEPLN-WCQYABFASA-N 0 0 380.897 2.952 10 0 GFAERN O=S(=O)(N[C@H](CO)c1ccccc1)c1cc(Br)c(F)cc1F ZINC000158470623 551552095 /nfs/dbraw/zinc/55/20/95/551552095.db2.gz KMNKFJXUKLSNAJ-CYBMUJFWSA-N 0 0 392.221 2.739 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000158495944 551552805 /nfs/dbraw/zinc/55/28/05/551552805.db2.gz MRHATIPUSVSQDV-JQWIXIFHSA-N 0 0 376.400 2.904 10 0 GFAERN CC(C)[C@@H](O)CC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000162498166 551609128 /nfs/dbraw/zinc/60/91/28/551609128.db2.gz HYARZDHZXFCQEG-YPMHNXCESA-N 0 0 379.810 2.856 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC000170637207 551636292 /nfs/dbraw/zinc/63/62/92/551636292.db2.gz NQMGRIFLYKFZPD-GFCCVEGCSA-N 0 0 382.302 2.868 10 0 GFAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)cn1 ZINC000171433521 551655595 /nfs/dbraw/zinc/65/55/95/551655595.db2.gz RNZHXCHQXRFVGZ-SNVBAGLBSA-N 0 0 376.301 2.770 10 0 GFAERN Brc1csc(-c2noc(CN3CCC[C@H](n4cncn4)C3)n2)c1 ZINC000171706018 551661230 /nfs/dbraw/zinc/66/12/30/551661230.db2.gz OTXMWGSTMKNCDJ-NSHDSACASA-N 0 0 395.286 2.989 10 0 GFAERN Cc1cc(I)ccc1NC(=O)CN1CCS[C@@H](C)C1 ZINC000171702453 551661246 /nfs/dbraw/zinc/66/12/46/551661246.db2.gz NIRZTXMBZYMRGQ-NSHDSACASA-N 0 0 390.290 2.975 10 0 GFAERN C[C@@H](NC(=O)c1cc(I)c[nH]1)c1ccc2c(c1)OCCO2 ZINC000172187744 551673167 /nfs/dbraw/zinc/67/31/67/551673167.db2.gz PHYQCXYTCOAFGI-SECBINFHSA-N 0 0 398.200 2.882 10 0 GFAERN C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(F)cc1Cl ZINC000172484092 551679712 /nfs/dbraw/zinc/67/97/12/551679712.db2.gz XHZCVOLZIUNSQR-MRVPVSSYSA-N 0 0 391.877 2.748 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3cc(Br)ccc3Cl)CCO2)[nH]1 ZINC000173087084 551695624 /nfs/dbraw/zinc/69/56/24/551695624.db2.gz FNPQHLBLTIJOBO-GFCCVEGCSA-N 0 0 385.649 2.743 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000173823451 552092683 /nfs/dbraw/zinc/09/26/83/552092683.db2.gz ACGIKIKDBJCNJH-IAQYHMDHSA-N 0 0 387.705 2.895 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000173823436 552092770 /nfs/dbraw/zinc/09/27/70/552092770.db2.gz ACGIKIKDBJCNJH-NHYWBVRUSA-N 0 0 387.705 2.895 10 0 GFAERN COC(=O)c1ccsc1N1CC[C@H](N2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000173857212 552094866 /nfs/dbraw/zinc/09/48/66/552094866.db2.gz RMWBFBCSOICSDF-JQWIXIFHSA-N 0 0 376.400 2.914 10 0 GFAERN CCN(CC)S(=O)(=O)CC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000174149026 552100744 /nfs/dbraw/zinc/10/07/44/552100744.db2.gz QSNWRJQOHYWESQ-VIFPVBQESA-N 0 0 385.288 2.981 10 0 GFAERN CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000176015458 552134425 /nfs/dbraw/zinc/13/44/25/552134425.db2.gz SRLIZQYDDUVRQJ-LLVKDONJSA-N 0 0 379.873 2.552 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCOc1cccc(Br)c1 ZINC000176545481 552140838 /nfs/dbraw/zinc/14/08/38/552140838.db2.gz DDASXGUIEITJOP-CQSZACIVSA-N 0 0 379.258 2.769 10 0 GFAERN O=C(Nc1cc(F)ccc1SCC(F)F)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177186931 552151096 /nfs/dbraw/zinc/15/10/96/552151096.db2.gz ZYZHRPWHSPYCLD-PWSUYJOCSA-N 0 0 376.400 2.541 10 0 GFAERN C[C@H](COCc1ccccc1)NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177975420 552161638 /nfs/dbraw/zinc/16/16/38/552161638.db2.gz VMMNTHUFIDKOTG-GFCCVEGCSA-N 0 0 394.269 2.875 10 0 GFAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCCC[C@@H]2c2nccs2)c1C ZINC000178519929 552172015 /nfs/dbraw/zinc/17/20/15/552172015.db2.gz BCCXWKHNJBLETE-OAHLLOKOSA-N 0 0 379.507 2.775 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)COc1ccccc1Br)CC2 ZINC000179403022 552192307 /nfs/dbraw/zinc/19/23/07/552192307.db2.gz NKVQRHRNTMMKTF-LBPRGKRZSA-N 0 0 393.285 2.674 10 0 GFAERN CN(Cc1cnn(C)c1)C(=O)CN1CCCCc2cc(Br)ccc21 ZINC000179465262 552193862 /nfs/dbraw/zinc/19/38/62/552193862.db2.gz ZQVAKIGCKFQERX-UHFFFAOYSA-N 0 0 391.313 2.984 10 0 GFAERN O[C@H](Cn1cnc2c1ncnc2N1CCCC1)c1ccccc1Br ZINC000179758900 552202123 /nfs/dbraw/zinc/20/21/23/552202123.db2.gz VJSVARCHDVLRCQ-CQSZACIVSA-N 0 0 388.269 2.923 10 0 GFAERN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180031744 552210247 /nfs/dbraw/zinc/21/02/47/552210247.db2.gz YUUMSTSBQSPANL-LRDDRELGSA-N 0 0 383.279 2.947 10 0 GFAERN CN1CCO[C@@H](CNC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000180465644 552226750 /nfs/dbraw/zinc/22/67/50/552226750.db2.gz QNVADWJIJPBJFB-JTQLQIEISA-N 0 0 381.192 2.528 10 0 GFAERN COC(=O)C1CCC(C(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000181094583 552246584 /nfs/dbraw/zinc/24/65/84/552246584.db2.gz SGFSAUWINKJJBR-QOZQQMKHSA-N 0 0 384.270 2.578 10 0 GFAERN CC[C@@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)CC[N@@H+]1C[C@@H](C)O ZINC000181180499 552249122 /nfs/dbraw/zinc/24/91/22/552249122.db2.gz VRBNARZZGFRFLR-DGCLKSJQSA-N 0 0 381.527 2.576 10 0 GFAERN C[C@H](NC(=O)CN[C@@H](C)c1ccccc1Br)C(=O)N1CCCCC1 ZINC000181572570 552260950 /nfs/dbraw/zinc/26/09/50/552260950.db2.gz ARBSYRMRPFLLDJ-KBPBESRZSA-N 0 0 396.329 2.617 10 0 GFAERN COC(=O)[C@@H]1CCCN(Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000182205158 552278482 /nfs/dbraw/zinc/27/84/82/552278482.db2.gz HGEGKUZRJGPAAI-GFCCVEGCSA-N 0 0 384.270 2.995 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)CCCc1ccccc1Br ZINC000182511905 552286111 /nfs/dbraw/zinc/28/61/11/552286111.db2.gz KSJZLMBHLLXHNR-UHFFFAOYSA-N 0 0 386.315 2.917 10 0 GFAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCc2c(Br)ccc(F)c2C1 ZINC000183669420 552316122 /nfs/dbraw/zinc/31/61/22/552316122.db2.gz PQMJVMUPKDNWDQ-CQSZACIVSA-N 0 0 394.248 2.783 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)n1 ZINC000183758858 552318755 /nfs/dbraw/zinc/31/87/55/552318755.db2.gz CEDKNNQHNHTRKC-CQSZACIVSA-N 0 0 391.225 2.836 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000184379445 552334102 /nfs/dbraw/zinc/33/41/02/552334102.db2.gz DNCHBHPLJXYRKO-LBPRGKRZSA-N 0 0 377.819 2.862 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C12CCOCC2 ZINC000185149598 552355141 /nfs/dbraw/zinc/35/51/41/552355141.db2.gz CHSBSGNIXJOUQF-GJZGRUSLSA-N 0 0 377.865 2.732 10 0 GFAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000185151233 552355307 /nfs/dbraw/zinc/35/53/07/552355307.db2.gz LUFRPVYPKVKDNZ-MWLCHTKSSA-N 0 0 393.292 2.549 10 0 GFAERN CCc1nnc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)n1C ZINC000185269825 552359316 /nfs/dbraw/zinc/35/93/16/552359316.db2.gz JMYIXXWAWVMXIQ-AWEZNQCLSA-N 0 0 383.265 2.853 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3csc(Br)c3C)CCO2)c1 ZINC000185384713 552362305 /nfs/dbraw/zinc/36/23/05/552362305.db2.gz RDGDUCAIMMFSGT-LBPRGKRZSA-N 0 0 384.299 2.865 10 0 GFAERN O=C1C[C@H](N[C@@H](c2ccc(Br)cc2)c2cncnc2)CN1C1CC1 ZINC000186284642 552383813 /nfs/dbraw/zinc/38/38/13/552383813.db2.gz KAYHKLKRWYPEAP-YJBOKZPZSA-N 0 0 387.281 2.681 10 0 GFAERN O=C(Nc1cc(F)ccc1Cl)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186279853 552384068 /nfs/dbraw/zinc/38/40/68/552384068.db2.gz AOQZFNIHCDEXCE-AAEUAGOBSA-N 0 0 382.844 2.714 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000186679858 552394970 /nfs/dbraw/zinc/39/49/70/552394970.db2.gz KERKPYLPBOXGGQ-UHFFFAOYSA-N 0 0 392.297 2.978 10 0 GFAERN CC[C@@H]1CN(Cc2cccc(Cl)c2S(=O)(=O)CC)CCN1CCOC ZINC000186941159 552402668 /nfs/dbraw/zinc/40/26/68/552402668.db2.gz SGRCHUKMRUIKLH-MRXNPFEDSA-N 0 0 388.961 2.676 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)c2cc(Br)cn2CC)C12CCOCC2 ZINC000187124088 552406947 /nfs/dbraw/zinc/40/69/47/552406947.db2.gz JXPFLJSBLFXWAK-LSDHHAIUSA-N 0 0 385.302 2.975 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NCc1cccc(Br)c1OC ZINC000187301913 552412047 /nfs/dbraw/zinc/41/20/47/552412047.db2.gz CMVULCHKZFYASY-CYBMUJFWSA-N 0 0 381.274 2.820 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)NCc3cccc(Br)c3)CCO2)cn1 ZINC000187882682 552427222 /nfs/dbraw/zinc/42/72/22/552427222.db2.gz KMFDXCNTBYJCGR-INIZCTEOSA-N 0 0 393.285 2.949 10 0 GFAERN Cc1ccc(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1Br ZINC000188089626 552434492 /nfs/dbraw/zinc/43/44/92/552434492.db2.gz WLMPOOKWENJIEL-OAHLLOKOSA-N 0 0 377.286 2.830 10 0 GFAERN Fc1cc(Br)cc(OCCN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000188962398 552459669 /nfs/dbraw/zinc/45/96/69/552459669.db2.gz LAZXMLKLAXAYBI-MRXNPFEDSA-N 0 0 384.249 2.565 10 0 GFAERN COCCN1CCN(C(=O)Nc2cc(Br)c(F)cc2F)C[C@@H]1C ZINC000189062861 552462163 /nfs/dbraw/zinc/46/21/63/552462163.db2.gz SKSLVELBUYUYLL-JTQLQIEISA-N 0 0 392.244 2.912 10 0 GFAERN CCC1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000190481813 552498109 /nfs/dbraw/zinc/49/81/09/552498109.db2.gz JDOWMUAHSWQCLW-UHFFFAOYSA-N 0 0 386.901 2.767 10 0 GFAERN O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000190566401 552501326 /nfs/dbraw/zinc/50/13/26/552501326.db2.gz SHXUECYVVBQXET-SNVBAGLBSA-N 0 0 386.214 2.526 10 0 GFAERN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190755410 552507831 /nfs/dbraw/zinc/50/78/31/552507831.db2.gz HTHSDEXPQXZIJH-CYBMUJFWSA-N 0 0 378.885 2.888 10 0 GFAERN O=C(N1CCO[C@H](Cn2cccn2)C1)C1(c2ccccc2Br)CC1 ZINC000191595490 552532265 /nfs/dbraw/zinc/53/22/65/552532265.db2.gz GDHTXIPQQXPQNJ-AWEZNQCLSA-N 0 0 390.281 2.605 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)c3[nH]nc(C(C)C)c3Br)CCO2)cn1 ZINC000191775222 552537372 /nfs/dbraw/zinc/53/73/72/552537372.db2.gz SPSIJZJAFGAOJR-LBPRGKRZSA-N 0 0 396.289 2.726 10 0 GFAERN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000192007996 552545583 /nfs/dbraw/zinc/54/55/83/552545583.db2.gz KJPZFPFABDUZSA-XJKSGUPXSA-N 0 0 384.263 2.805 10 0 GFAERN Cc1cc(OC(F)F)c(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)s1 ZINC000192145633 552553028 /nfs/dbraw/zinc/55/30/28/552553028.db2.gz PDUYORGDAASKDQ-NSHDSACASA-N 0 0 376.425 2.669 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000192311534 552559510 /nfs/dbraw/zinc/55/95/10/552559510.db2.gz PHVGZAOJZBLQDX-NSHDSACASA-N 0 0 385.255 2.970 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Nc3ccc(C)nc3Br)CCO2)cn1 ZINC000192344162 552560588 /nfs/dbraw/zinc/56/05/88/552560588.db2.gz GSUXHVIVMYQLJX-AWEZNQCLSA-N 0 0 394.273 2.974 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Nc3ccc(C)nc3Br)CCO2)cn1 ZINC000192344166 552560635 /nfs/dbraw/zinc/56/06/35/552560635.db2.gz GSUXHVIVMYQLJX-CQSZACIVSA-N 0 0 394.273 2.974 10 0 GFAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)CCc1ccc(Br)cc1)C(C)C ZINC000192659587 552971329 /nfs/dbraw/zinc/97/13/29/552971329.db2.gz VPHDAHPZPQNAJR-SWLSCSKDSA-N 0 0 384.318 2.840 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C12CCOCC2 ZINC000192855938 552976467 /nfs/dbraw/zinc/97/64/67/552976467.db2.gz VZXGTUVLFFKXEZ-JKSUJKDBSA-N 0 0 391.892 2.873 10 0 GFAERN CCN(C(=O)N[C@@H](C)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000193334835 552990390 /nfs/dbraw/zinc/99/03/90/552990390.db2.gz GVSVQTNCYQBCJO-FZMZJTMJSA-N 0 0 389.315 2.729 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)CCO2)n1 ZINC000193951900 553007536 /nfs/dbraw/zinc/00/75/36/553007536.db2.gz NBJBLKMWRRWZJE-NSHDSACASA-N 0 0 393.412 2.628 10 0 GFAERN CCOc1ccc(S(=O)(=O)N2CCO[C@@H](c3nc(C)cs3)C2)c(C)c1 ZINC000193944033 553007821 /nfs/dbraw/zinc/00/78/21/553007821.db2.gz WEXJEKWFWJTYJW-OAHLLOKOSA-N 0 0 382.507 2.921 10 0 GFAERN CN(Cc1ccc(Br)s1)C(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000193976187 553008725 /nfs/dbraw/zinc/00/87/25/553008725.db2.gz HOCSHHCRYVPWPU-ZDUSSCGKSA-N 0 0 396.310 2.749 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194383893 553019387 /nfs/dbraw/zinc/01/93/87/553019387.db2.gz AEFCUUGSOYXAEC-WBVHZDCISA-N 0 0 390.281 2.949 10 0 GFAERN CCn1c(C)nnc1CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000194643722 553026197 /nfs/dbraw/zinc/02/61/97/553026197.db2.gz JVDHZOZIWFBLSZ-MRXNPFEDSA-N 0 0 382.251 2.880 10 0 GFAERN C[C@@H](C(=O)NCC1CCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000194694447 553027300 /nfs/dbraw/zinc/02/73/00/553027300.db2.gz NZPJTRYSHZROEP-VIFPVBQESA-N 0 0 385.247 2.521 10 0 GFAERN CS(=O)(=O)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000195014757 553035840 /nfs/dbraw/zinc/03/58/40/553035840.db2.gz ZZSGLGMAPRGHRT-UHFFFAOYSA-N 0 0 391.873 2.502 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N[C@H]2COc3ccccc32)c(Br)c1 ZINC000195275796 553043935 /nfs/dbraw/zinc/04/39/35/553043935.db2.gz UQHNWOYIWJQQBG-AWEZNQCLSA-N 0 0 375.222 2.946 10 0 GFAERN Cc1csc([C@H]2CCCN(CC(=O)NC(=O)NCc3cccs3)C2)n1 ZINC000195328682 553045551 /nfs/dbraw/zinc/04/55/51/553045551.db2.gz HRDFZDCFUCLHKP-ZDUSSCGKSA-N 0 0 378.523 2.718 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Cc1cccc(Br)c1)CC2 ZINC000195348568 553046301 /nfs/dbraw/zinc/04/63/01/553046301.db2.gz ZAVQWQONXALSFE-CQSZACIVSA-N 0 0 377.286 2.838 10 0 GFAERN C[C@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)c1cccc(Br)c1 ZINC000195492170 553050882 /nfs/dbraw/zinc/05/08/82/553050882.db2.gz ISNAXQSNWHHXRG-NSHDSACASA-N 0 0 397.294 2.729 10 0 GFAERN O=C(c1cc(Cl)ccc1I)N1CC[C@@H](CCO)C1 ZINC000230185697 553065236 /nfs/dbraw/zinc/06/52/36/553065236.db2.gz XYZFWOSHAMHIEO-VIFPVBQESA-N 0 0 379.625 2.789 10 0 GFAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000245862356 553098573 /nfs/dbraw/zinc/09/85/73/553098573.db2.gz FOJADOBSLFHPRG-CZUORRHYSA-N 0 0 393.285 2.667 10 0 GFAERN CC(C)OCCS(=O)(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246876404 553115059 /nfs/dbraw/zinc/11/50/59/553115059.db2.gz WOWAIXHCEJGIGX-CABCVRRESA-N 0 0 381.416 2.568 10 0 GFAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246903943 553115264 /nfs/dbraw/zinc/11/52/64/553115264.db2.gz HYQVQVKGBGZAOY-IGCXYCKISA-N 0 0 387.307 2.940 10 0 GFAERN O[C@H](COc1cccc(Br)c1)CN1CCO[C@@H](c2ccco2)C1 ZINC000247019302 553117432 /nfs/dbraw/zinc/11/74/32/553117432.db2.gz SIVVLANDJKNTMJ-WMLDXEAASA-N 0 0 382.254 2.855 10 0 GFAERN O=S(=O)(c1ccc(F)c(Br)c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000247400865 553122155 /nfs/dbraw/zinc/12/21/55/553122155.db2.gz HTMJMRWNSYCPNA-KGLIPLIRSA-N 0 0 378.263 2.920 10 0 GFAERN CCOCCN1CCN(CC(=O)Nc2ccc(Br)cc2C)C[C@H]1C ZINC000247591256 553124080 /nfs/dbraw/zinc/12/40/80/553124080.db2.gz JQZCRFOSPNQKFI-OAHLLOKOSA-N 0 0 398.345 2.739 10 0 GFAERN CN1CCO[C@H](CNC(=O)[C@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248543515 553130354 /nfs/dbraw/zinc/13/03/54/553130354.db2.gz CMJRMBOVHJEZPB-UKPHBRMFSA-N 0 0 387.307 2.908 10 0 GFAERN CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000248903021 553137087 /nfs/dbraw/zinc/13/70/87/553137087.db2.gz UNWCXTGKASAHSV-IUIKQTSFSA-N 0 0 383.286 2.700 10 0 GFAERN COCCN1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@H]1C ZINC000248969903 553137788 /nfs/dbraw/zinc/13/77/88/553137788.db2.gz CJBQSZPHRHYHSN-DYVFJYSZSA-N 0 0 386.323 2.751 10 0 GFAERN CC(C)(C)c1csc([C@@H]2CN(S(=O)(=O)CC[C@H]3CCCO3)CCO2)n1 ZINC000249260849 553141589 /nfs/dbraw/zinc/14/15/89/553141589.db2.gz HAFIISMCNOSCJB-KGLIPLIRSA-N 0 0 388.555 2.713 10 0 GFAERN CC(C)(C)c1csc([C@H]2CN(S(=O)(=O)CC[C@H]3CCCO3)CCO2)n1 ZINC000249260854 553141956 /nfs/dbraw/zinc/14/19/56/553141956.db2.gz HAFIISMCNOSCJB-ZIAGYGMSSA-N 0 0 388.555 2.713 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2ccc(Br)cc2F)C1 ZINC000262709749 553174241 /nfs/dbraw/zinc/17/42/41/553174241.db2.gz LCTHPCHGJFTQSQ-UHFFFAOYSA-N 0 0 399.260 2.646 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000262721260 553174763 /nfs/dbraw/zinc/17/47/63/553174763.db2.gz PTQLFPYJFLDTRF-VOMCLLRMSA-N 0 0 389.279 2.814 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(Br)cc2F)C1 ZINC000263452393 553188178 /nfs/dbraw/zinc/18/81/78/553188178.db2.gz AYAQKYDEUNQDLF-UHFFFAOYSA-N 0 0 388.237 2.647 10 0 GFAERN C[C@@H](Cc1cccc(F)c1)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000301287790 563399342 /nfs/dbraw/zinc/39/93/42/563399342.db2.gz NNXPUAKVMMFLNH-LBPRGKRZSA-N 0 0 385.482 2.676 10 0 GFAERN CCc1nc2sccc2c(NC[C@@H](O)CS(=O)(=O)c2cccs2)n1 ZINC000301847267 563414034 /nfs/dbraw/zinc/41/40/34/563414034.db2.gz UUGLUJBWJQYXQD-SNVBAGLBSA-N 0 0 383.520 2.562 10 0 GFAERN COC(=O)c1sc(N2CCN(Cc3ccc(Cl)cn3)CC2)nc1Cl ZINC000302190066 563422889 /nfs/dbraw/zinc/42/28/89/563422889.db2.gz VJCGYJOJPWQBBF-UHFFFAOYSA-N 0 0 387.292 2.954 10 0 GFAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1c(Cl)cccc1Br ZINC000312927916 563437814 /nfs/dbraw/zinc/43/78/14/563437814.db2.gz XNEDZXANNYHSEG-CABZTGNLSA-N 0 0 382.707 2.932 10 0 GFAERN O=S(=O)(c1cc(Cl)cc2c1OCC2)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000328615720 563461406 /nfs/dbraw/zinc/46/14/06/563461406.db2.gz YXHARBWHWOJXQX-HIFRSBDPSA-N 0 0 399.921 2.733 10 0 GFAERN O=S(=O)(c1cc(Cl)cc2c1OCC2)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000328615721 563461505 /nfs/dbraw/zinc/46/15/05/563461505.db2.gz YXHARBWHWOJXQX-UKRRQHHQSA-N 0 0 399.921 2.733 10 0 GFAERN O=C(c1cccc(F)c1I)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000571263953 564542560 /nfs/dbraw/zinc/54/25/60/564542560.db2.gz FLEDFYURBQYZTE-AXFHLTTASA-N 0 0 389.208 2.663 10 0 GFAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000242156001 570432123 /nfs/dbraw/zinc/43/21/23/570432123.db2.gz WUZLDZBOVZKGBY-XNWVLMOPSA-N 0 0 396.491 2.714 10 0 GFAERN C[C@H](NC(=O)Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O)c1ccccn1 ZINC000096385816 570641687 /nfs/dbraw/zinc/64/16/87/570641687.db2.gz OSJPFGNSXXKWCJ-AWEZNQCLSA-N 0 0 391.406 2.599 10 0 GFAERN CC(C)c1ccc2c(c1)[C@@]1(C[C@H]1C(=O)Nc1nc(CC(N)=O)cs1)CCO2 ZINC000583619974 570800578 /nfs/dbraw/zinc/80/05/78/570800578.db2.gz CSLZXCBBMUJHON-YWZLYKJASA-N 0 0 385.489 2.973 10 0 GFAERN COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cscn2)cc1 ZINC000033138871 570822815 /nfs/dbraw/zinc/82/28/15/570822815.db2.gz STBTWCDZPACYLH-LJQANCHMSA-N 0 0 395.484 2.809 10 0 GFAERN CN1OC[C@H](S(=O)(=O)N2CCc3ccccc3C2)[C@@H]1c1cc(F)ccc1F ZINC000105050188 570913889 /nfs/dbraw/zinc/91/38/89/570913889.db2.gz HZZBPBQJFCHZKZ-OALUTQOASA-N 0 0 394.443 2.640 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000041181163 654623693 /nfs/dbraw/zinc/62/36/93/654623693.db2.gz USWYLLXMUHWETM-LLVKDONJSA-N 0 0 380.853 2.559 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(Cc3cc(O)ccc3Br)CCO2)n1 ZINC000122629913 654741175 /nfs/dbraw/zinc/74/11/75/654741175.db2.gz YHMYRDKPRAHZLV-MRXNPFEDSA-N 0 0 380.286 2.869 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1cnn(C)c1C)c1cccc(Br)c1 ZINC000053413060 654746343 /nfs/dbraw/zinc/74/63/43/654746343.db2.gz QGKVJVZKFKOHEG-AWEZNQCLSA-N 0 0 380.242 2.525 10 0 GFAERN C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1Br ZINC000054065981 654755788 /nfs/dbraw/zinc/75/57/88/654755788.db2.gz QLRWMFQTBBHPBS-ZDUSSCGKSA-N 0 0 390.285 2.832 10 0 GFAERN Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(Br)n1 ZINC000128227431 654842729 /nfs/dbraw/zinc/84/27/29/654842729.db2.gz COJSIGHRHFQKPE-JTQLQIEISA-N 0 0 388.221 2.776 10 0 GFAERN COc1ccc(Br)c(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000133519165 654965660 /nfs/dbraw/zinc/96/56/60/654965660.db2.gz FGUUKOAPTMOJBF-NSHDSACASA-N 0 0 393.285 2.917 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(I)cc1Cl ZINC000134210763 654986486 /nfs/dbraw/zinc/98/64/86/654986486.db2.gz UFZJSLIHDNLHBV-NEPJUHHUSA-N 0 0 379.625 2.978 10 0 GFAERN CC[C@H](C)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000070709455 654993883 /nfs/dbraw/zinc/99/38/83/654993883.db2.gz FZPJDJVLVAVYJL-XJKSGUPXSA-N 0 0 378.519 2.778 10 0 GFAERN CC(C)Cn1ccnc(N(C)CC(=O)Nc2ccccc2Br)c1=O ZINC000094131717 655028079 /nfs/dbraw/zinc/02/80/79/655028079.db2.gz GOOQIJMDKKRYRW-UHFFFAOYSA-N 0 0 393.285 2.737 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000106396158 655107845 /nfs/dbraw/zinc/10/78/45/655107845.db2.gz UULSFNMTYDIZGQ-CYBMUJFWSA-N 0 0 399.969 2.983 10 0 GFAERN COc1ccc([C@@H](OC(=O)CNC(C)=O)C(F)(F)F)cc1Br ZINC000159590005 655115412 /nfs/dbraw/zinc/11/54/12/655115412.db2.gz NCXWCOXIXGWKSL-GFCCVEGCSA-N 0 0 384.148 2.740 10 0 GFAERN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H](C(N)=O)C(C)C ZINC000107278528 655119403 /nfs/dbraw/zinc/11/94/03/655119403.db2.gz USZXCPVODPRYQE-HNNXBMFYSA-N 0 0 380.901 2.552 10 0 GFAERN CCn1cnnc1C1CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000107352046 655120133 /nfs/dbraw/zinc/12/01/33/655120133.db2.gz VQLVIZBBTPFSBR-UHFFFAOYSA-N 0 0 379.258 2.786 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000108997069 655140310 /nfs/dbraw/zinc/14/03/10/655140310.db2.gz ZORGMWGBTUZFLH-UONOGXRCSA-N 0 0 385.291 2.883 10 0 GFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000170661877 655144839 /nfs/dbraw/zinc/14/48/39/655144839.db2.gz DRTGFXIHRSXGID-VWYCJHECSA-N 0 0 393.292 2.883 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)Cc3ccccc3Br)CC2)nn1 ZINC000109634405 655149252 /nfs/dbraw/zinc/14/92/52/655149252.db2.gz RQMXVTICCJPQLL-UHFFFAOYSA-N 0 0 389.297 2.829 10 0 GFAERN O=C(c1cc(Br)ccc1O)N1CCC(Nc2cccnn2)CC1 ZINC000109636477 655149632 /nfs/dbraw/zinc/14/96/32/655149632.db2.gz QNVXCBBNWDHARA-UHFFFAOYSA-N 0 0 377.242 2.661 10 0 GFAERN O=C(CCc1nc(-c2ccsc2)no1)N1CCO[C@@H](c2nccs2)C1 ZINC000110874360 655161029 /nfs/dbraw/zinc/16/10/29/655161029.db2.gz CPXQOMMMSOSXHG-GFCCVEGCSA-N 0 0 376.463 2.787 10 0 GFAERN Cc1cnc2c(cccc2S(=O)(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000111343970 655169315 /nfs/dbraw/zinc/16/93/15/655169315.db2.gz FJOCYDLPJBWABZ-AWEZNQCLSA-N 0 0 375.475 2.762 10 0 GFAERN COCCN1CCN(C(=O)[C@@H](C)c2ccc(Br)s2)C[C@H]1C ZINC000173548089 655174259 /nfs/dbraw/zinc/17/42/59/655174259.db2.gz BQJHAHUHIXKUAH-NEPJUHHUSA-N 0 0 375.332 2.793 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)COc3cc(Cl)ccc3Cl)CCO2)c1 ZINC000112060741 655181336 /nfs/dbraw/zinc/18/13/36/655181336.db2.gz SUVGYTHYGOLAMF-CQSZACIVSA-N 0 0 384.263 2.805 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(F)ccc3Br)CCO2)c1 ZINC000112060632 655181376 /nfs/dbraw/zinc/18/13/76/655181376.db2.gz HYKLLMUZMHHFIY-CYBMUJFWSA-N 0 0 382.233 2.634 10 0 GFAERN C[C@@H](NC(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000173906087 655184730 /nfs/dbraw/zinc/18/47/30/655184730.db2.gz BRVHDDVGSXRWMP-HIFRSBDPSA-N 0 0 386.323 2.577 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)c1c(F)cccc1F ZINC000173928997 655186283 /nfs/dbraw/zinc/18/62/83/655186283.db2.gz XOOGAVLMCKJUSA-NSHDSACASA-N 0 0 376.425 2.643 10 0 GFAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[S@](=O)C(C)(C)C ZINC000112303763 655187932 /nfs/dbraw/zinc/18/79/32/655187932.db2.gz NAHOIULIDBFFIO-ODCWNRFASA-N 0 0 386.945 2.758 10 0 GFAERN CCN(C(=O)N[C@@H](C)c1ccccc1Br)[C@@H](C)CS(C)(=O)=O ZINC000112714008 655196165 /nfs/dbraw/zinc/19/61/65/655196165.db2.gz RQMQGQGBIUHRPQ-RYUDHWBXSA-N 0 0 391.331 2.975 10 0 GFAERN C[C@H](OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1CCOC1 ZINC000175263777 655217040 /nfs/dbraw/zinc/21/70/40/655217040.db2.gz OSHZEQFMKQBDNU-YNEHKIRRSA-N 0 0 382.254 2.770 10 0 GFAERN C[C@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000175634241 655224519 /nfs/dbraw/zinc/22/45/19/655224519.db2.gz JEIYJWDHEISKHT-WMLDXEAASA-N 0 0 383.945 2.794 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc3ccc(Br)cc3[nH]1)CC2 ZINC000114872498 655230040 /nfs/dbraw/zinc/23/00/40/655230040.db2.gz SEMCGLZOMOCTEP-GFCCVEGCSA-N 0 0 388.269 2.829 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1cc(Br)cs1)CC2 ZINC000114871615 655230073 /nfs/dbraw/zinc/23/00/73/655230073.db2.gz JPGHXTLPJRGCTA-LLVKDONJSA-N 0 0 383.315 2.728 10 0 GFAERN O=C(N[C@@H]1CCCn2ncnc21)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000176129335 655236205 /nfs/dbraw/zinc/23/62/05/655236205.db2.gz PCFAUJVIMZGHCC-LLVKDONJSA-N 0 0 378.205 2.926 10 0 GFAERN O=C(N[C@H]1CCCn2ncnc21)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000176129349 655236227 /nfs/dbraw/zinc/23/62/27/655236227.db2.gz PCFAUJVIMZGHCC-NSHDSACASA-N 0 0 378.205 2.926 10 0 GFAERN COc1nc(N2CCCN(Cc3csc(C)n3)CC2)ncc1Br ZINC000176249905 655241433 /nfs/dbraw/zinc/24/14/33/655241433.db2.gz YEYYHSLEJUYKDS-UHFFFAOYSA-N 0 0 398.330 2.725 10 0 GFAERN COc1ccc(-c2nc(C[S@@](=O)Cc3nnnn3C(C)C)cs2)cc1 ZINC000176498781 655247901 /nfs/dbraw/zinc/24/79/01/655247901.db2.gz XJZFTOGOJWJJKV-RUZDIDTESA-N 0 0 377.495 2.835 10 0 GFAERN CC(C)n1nnnc1C[S@@](=O)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000176518716 655249117 /nfs/dbraw/zinc/24/91/17/655249117.db2.gz JTQZRNHQAIGBCI-UXMMLNGASA-N 0 0 380.861 2.967 10 0 GFAERN Cc1oc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1S(=O)(=O)N(C)C ZINC000176527464 655249543 /nfs/dbraw/zinc/24/95/43/655249543.db2.gz PJUVJNZASOCLOC-GHMZBOCLSA-N 0 0 382.404 2.689 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)NCc2cccs2)CC1 ZINC000117022048 655258785 /nfs/dbraw/zinc/25/87/85/655258785.db2.gz OIYUNQWZYICTGE-UHFFFAOYSA-N 0 0 381.933 2.725 10 0 GFAERN Cc1cc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)sc1Br ZINC000176925660 655261855 /nfs/dbraw/zinc/26/18/55/655261855.db2.gz WKGBPCPLSZRNOV-JTQLQIEISA-N 0 0 390.328 2.731 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(Br)cnc2Cl)C[C@@H]1C ZINC000117278230 655262844 /nfs/dbraw/zinc/26/28/44/655262844.db2.gz FCHCUQYMZAGXOE-NSHDSACASA-N 0 0 390.709 2.680 10 0 GFAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000117521434 655265492 /nfs/dbraw/zinc/26/54/92/655265492.db2.gz XVCXGYSMJTVXTA-LBPRGKRZSA-N 0 0 388.295 2.501 10 0 GFAERN Cc1cnn(CCNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000118071318 655271639 /nfs/dbraw/zinc/27/16/39/655271639.db2.gz ZUWANFVBCZSVFB-HNNXBMFYSA-N 0 0 392.301 2.532 10 0 GFAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000177402318 655275383 /nfs/dbraw/zinc/27/53/83/655275383.db2.gz OFIXEDDXQCOYBL-WDEREUQCSA-N 0 0 382.379 2.585 10 0 GFAERN C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2F)C[C@@H]1N1CCOCC1 ZINC000177691223 655286444 /nfs/dbraw/zinc/28/64/44/655286444.db2.gz TVGRJUOVGCRWNT-ABAIWWIYSA-N 0 0 386.265 2.773 10 0 GFAERN O=C(c1ccc(F)cc1I)N1CCC[C@@H]1Cn1ccnc1 ZINC000177812514 655289169 /nfs/dbraw/zinc/28/91/69/655289169.db2.gz OBHXSGKGDUININ-GFCCVEGCSA-N 0 0 399.207 2.932 10 0 GFAERN COc1ccc(Br)c(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000177818058 655289537 /nfs/dbraw/zinc/28/95/37/655289537.db2.gz WDIDZXHRWJQFAM-WBMJQRKESA-N 0 0 398.301 2.642 10 0 GFAERN CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119342235 655299716 /nfs/dbraw/zinc/29/97/16/655299716.db2.gz FAADNZIOPPFTAS-PXAZEXFGSA-N 0 0 382.302 2.677 10 0 GFAERN O=C(Cc1ccccc1I)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119625197 655308953 /nfs/dbraw/zinc/30/89/53/655308953.db2.gz FEENAKASBHRNFM-YOEHRIQHSA-N 0 0 399.272 2.987 10 0 GFAERN C[C@H]1C[C@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC(C)(C)C1 ZINC000180161155 655323054 /nfs/dbraw/zinc/32/30/54/655323054.db2.gz SKQVRISMXKLGOO-JSGCOSHPSA-N 0 0 380.501 2.829 10 0 GFAERN C[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)c1ccc(OC(F)(F)F)cc1 ZINC000120019329 655324864 /nfs/dbraw/zinc/32/48/64/655324864.db2.gz URDYGFKZTQZIND-MRVPVSSYSA-N 0 0 394.396 2.785 10 0 GFAERN O=C(O[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1COc2ccc(Br)cc21 ZINC000186229261 655368454 /nfs/dbraw/zinc/36/84/54/655368454.db2.gz PGANAACXPQFEOC-SUYBPPKGSA-N 0 0 383.238 2.806 10 0 GFAERN C[C@H](OC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccc(Cl)c1F ZINC000186367534 655369121 /nfs/dbraw/zinc/36/91/21/655369121.db2.gz PCBGHPDUKKHDCZ-NSHDSACASA-N 0 0 386.832 2.799 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(F)c(C(F)(F)F)c1 ZINC000188103528 655378166 /nfs/dbraw/zinc/37/81/66/655378166.db2.gz PJHVUWHSQMXPSW-CYBMUJFWSA-N 0 0 383.363 2.954 10 0 GFAERN COC(=O)C[C@H](NC(=O)C[C@@H]1CCCOC1)c1cccc(Br)c1 ZINC000192856761 655407231 /nfs/dbraw/zinc/40/72/31/655407231.db2.gz CGFDTUFNMIQSHT-WFASDCNBSA-N 0 0 384.270 2.986 10 0 GFAERN CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000194355394 655415304 /nfs/dbraw/zinc/41/53/04/655415304.db2.gz DXMOPHJAIXNKRL-NSHDSACASA-N 0 0 376.425 2.643 10 0 GFAERN CCCNS(=O)(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000213474094 655421701 /nfs/dbraw/zinc/42/17/01/655421701.db2.gz FEYZEWORDYRWTR-OWBHPGMISA-N 0 0 380.491 2.788 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(CCCc2c(Cl)cccc2Cl)CCO1 ZINC000263458355 655451936 /nfs/dbraw/zinc/45/19/36/655451936.db2.gz BEVLHIUBUDLILC-CYBMUJFWSA-N 0 0 375.296 2.643 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc3sccc3s2)[C@H](O)C1 ZINC000702794489 655521832 /nfs/dbraw/zinc/52/18/32/655521832.db2.gz FMLYKVNQIZUNJD-GHMZBOCLSA-N 0 0 382.507 2.920 10 0 GFAERN CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000779845768 656949333 /nfs/dbraw/zinc/94/93/33/656949333.db2.gz JIRFKRMSRKXJSM-MGPQQGTHSA-N 0 0 386.235 2.707 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889196051 663235330 /nfs/dbraw/zinc/23/53/30/663235330.db2.gz CMAKNYREEUVGTK-SSDOTTSWSA-N 0 0 377.758 2.649 10 0 GFAERN O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCC[C@@H]1Cn1cncn1 ZINC000900676162 663719593 /nfs/dbraw/zinc/71/95/93/663719593.db2.gz ALGZRIFPPTXVIA-CQSZACIVSA-N 0 0 388.269 2.756 10 0 GFAERN Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NC[C@H]2CCCO2)o1 ZINC000003006091 203979750 /nfs/dbraw/zinc/97/97/50/203979750.db2.gz PWKHMUFGWJOUGY-MRXNPFEDSA-N 0 0 377.462 2.612 10 0 GFAERN CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@]12c1ccc(C)cc1 ZINC000004893410 204087759 /nfs/dbraw/zinc/08/77/59/204087759.db2.gz GWDJAVGZSMRKQM-FGSXEWAUSA-N 0 0 379.412 2.624 10 0 GFAERN C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C(C)(C)C)C[C@H](C)[NH2+]1 ZINC000005929712 204157032 /nfs/dbraw/zinc/15/70/32/204157032.db2.gz ZKXANRKOHXSTKC-TXEJJXNPSA-N 0 0 375.444 2.780 10 0 GFAERN CN(Cc1ccco1)C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O ZINC000006802399 204208812 /nfs/dbraw/zinc/20/88/12/204208812.db2.gz HHVQEQYXUWOEAC-UHFFFAOYSA-N 0 0 388.427 2.634 10 0 GFAERN Cc1ccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000006892795 204221373 /nfs/dbraw/zinc/22/13/73/204221373.db2.gz HOIOJCVRRCUBQE-CYBMUJFWSA-N 0 0 376.503 2.949 10 0 GFAERN O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(-c2ccc3c(c2)OCCO3)o1 ZINC000011689931 204351588 /nfs/dbraw/zinc/35/15/88/204351588.db2.gz SAMHOKIOWRPLPP-UHFFFAOYSA-N 0 0 389.371 2.946 10 0 GFAERN CC[C@H]1CN(CCNC(=O)c2cc(C)nn2CC)Cc2cc(OC)ccc2O1 ZINC000011976866 204365672 /nfs/dbraw/zinc/36/56/72/204365672.db2.gz WSCOYEHQNNBVJX-KRWDZBQOSA-N 0 0 386.496 2.623 10 0 GFAERN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)C1=O ZINC000012022578 204367763 /nfs/dbraw/zinc/36/77/63/204367763.db2.gz SVLFCUXHDDZNQF-UHFFFAOYSA-N 0 0 394.399 2.920 10 0 GFAERN COc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)cc1 ZINC000012206171 204382129 /nfs/dbraw/zinc/38/21/29/204382129.db2.gz DUKKQQBXHBKGPL-UHFFFAOYSA-N 0 0 394.836 2.667 10 0 GFAERN Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000012208091 204384045 /nfs/dbraw/zinc/38/40/45/204384045.db2.gz BKAFUQMZSBSYAD-UHFFFAOYSA-N 0 0 398.481 2.865 10 0 GFAERN CCc1ccc([C@@H]2C[C@H](C(=O)NCCOC)CN(C(=O)c3ccoc3)C2)cc1 ZINC000034738450 204974411 /nfs/dbraw/zinc/97/44/11/204974411.db2.gz QUSWVUVCCTVBFD-UXHICEINSA-N 0 0 384.476 2.851 10 0 GFAERN Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000036054946 205003661 /nfs/dbraw/zinc/00/36/61/205003661.db2.gz WCMFRBNMCKXOIG-LEWJYISDSA-N 0 0 396.462 2.849 10 0 GFAERN CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)COC ZINC000036249262 205009613 /nfs/dbraw/zinc/00/96/13/205009613.db2.gz QVBOQNCUBVBLTC-UHFFFAOYSA-N 0 0 391.443 2.702 10 0 GFAERN COc1cccc([C@@]2(CN3CCN(C(=O)c4ccccc4)CC3)CCOC2)c1 ZINC000055167482 205143498 /nfs/dbraw/zinc/14/34/98/205143498.db2.gz GYHICNAMUMVOSP-HSZRJFAPSA-N 0 0 380.488 2.811 10 0 GFAERN COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc3oc(C)nc3c2)C1 ZINC000065195698 205216898 /nfs/dbraw/zinc/21/68/98/205216898.db2.gz LVGDAYJFETVKPO-OAHLLOKOSA-N 0 0 379.416 2.814 10 0 GFAERN CN1CCN(C(=O)CC[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000065136325 205212689 /nfs/dbraw/zinc/21/26/89/205212689.db2.gz YLRROZSREJDMNU-MRXNPFEDSA-N 0 0 376.476 2.624 10 0 GFAERN O=C(NC1CC1)c1ccc(OCC2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000065180100 205215908 /nfs/dbraw/zinc/21/59/08/205215908.db2.gz FLEQWQSMTHAGOZ-UHFFFAOYSA-N 0 0 379.460 2.905 10 0 GFAERN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)NC[C@@H]3CCCO3)sc12 ZINC000065293989 205227150 /nfs/dbraw/zinc/22/71/50/205227150.db2.gz JLNGQNMLVIVKFA-INIZCTEOSA-N 0 0 399.520 2.830 10 0 GFAERN CN1CCCn2nc(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2C1=O ZINC000065225850 205219178 /nfs/dbraw/zinc/21/91/78/205219178.db2.gz XNMQZOXMRQJMLG-UHFFFAOYSA-N 0 0 385.443 2.909 10 0 GFAERN COC(=O)[C@@H](NCc1c(C)n(CC(N)=O)c2ccccc12)c1cccc(C)c1 ZINC000067677203 205254845 /nfs/dbraw/zinc/25/48/45/205254845.db2.gz ZSOZLGYYZBEYTI-NRFANRHFSA-N 0 0 379.460 2.747 10 0 GFAERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 ZINC000095087307 205437888 /nfs/dbraw/zinc/43/78/88/205437888.db2.gz LYBUITUGHCQHOV-OAHLLOKOSA-N 0 0 376.453 2.977 10 0 GFAERN O=C(NCCCN1CCOCC1)c1ccc(COc2cccc(Cl)c2)o1 ZINC000027970001 206022789 /nfs/dbraw/zinc/02/27/89/206022789.db2.gz UXSIXSNAMPJHHU-UHFFFAOYSA-N 0 0 378.856 2.964 10 0 GFAERN CCn1ncc(Br)c1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000028223842 206034313 /nfs/dbraw/zinc/03/43/13/206034313.db2.gz LPBZYBZZFNJQBX-UHFFFAOYSA-N 0 0 381.249 2.767 10 0 GFAERN O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccn(Cc2ccccc2Cl)n1 ZINC000032647776 206091913 /nfs/dbraw/zinc/09/19/13/206091913.db2.gz YSLREXZKAXKLRA-UHFFFAOYSA-N 0 0 393.838 2.742 10 0 GFAERN CC(=O)Nc1ccc(CN2CCN3C(=O)N(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096269109 206121792 /nfs/dbraw/zinc/12/17/92/206121792.db2.gz QNMZXENOLJVRCP-OAQYLSRUSA-N 0 0 378.476 2.767 10 0 GFAERN COCc1nn2c(nc(COC(=O)C34CC5CC(CC(C5)C3)C4)cc2=O)s1 ZINC000041077300 206195460 /nfs/dbraw/zinc/19/54/60/206195460.db2.gz HUHQUIYLIYJFSP-UHFFFAOYSA-N 0 0 389.477 2.557 10 0 GFAERN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000065227127 136160441 /nfs/dbraw/zinc/16/04/41/136160441.db2.gz LIIQZANIEGVPAR-ZDUSSCGKSA-N 0 0 377.404 2.609 10 0 GFAERN COc1ccc(O)c([C@@H]2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)c1 ZINC000504065768 534203775 /nfs/dbraw/zinc/20/37/75/534203775.db2.gz JGVIOWOSPPNINS-ZDUSSCGKSA-N 0 0 376.361 2.839 10 0 GFAERN CCN(CCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O)c1ccccc1 ZINC000073658052 521041489 /nfs/dbraw/zinc/04/14/89/521041489.db2.gz MLKGKZVEFJSSIW-UHFFFAOYSA-N 0 0 383.448 2.624 10 0 GFAERN COc1cc2[nH]c(=O)n(Cc3cccc(Br)c3)c(=O)c2cc1OC ZINC000073657932 522988921 /nfs/dbraw/zinc/98/89/21/522988921.db2.gz PMPVCFLBYNAAEC-UHFFFAOYSA-N 0 0 391.221 2.518 10 0 GFAERN CC(=O)N1N=C(c2cccc(Br)c2)O[C@H]1Cn1nc(C)cc1C ZINC000021093218 551116387 /nfs/dbraw/zinc/11/63/87/551116387.db2.gz CMJXLORWGGRFQU-HNNXBMFYSA-N 0 0 377.242 2.829 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000028499426 551124626 /nfs/dbraw/zinc/12/46/26/551124626.db2.gz WZNJVPMZCTWHCI-HUUCEWRRSA-N 0 0 386.514 2.683 10 0 GFAERN C[C@@H](NC(=O)c1ccccc1OCC(N)=O)c1cccc(Br)c1 ZINC000030465476 551128094 /nfs/dbraw/zinc/12/80/94/551128094.db2.gz SXPWVFRCJJFTMV-LLVKDONJSA-N 0 0 377.238 2.804 10 0 GFAERN CCN1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000040503791 551134972 /nfs/dbraw/zinc/13/49/72/551134972.db2.gz AYRQCIANDVNQEZ-LLVKDONJSA-N 0 0 381.723 2.865 10 0 GFAERN C[C@H](NC(=O)c1sccc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000044820039 551144784 /nfs/dbraw/zinc/14/47/84/551144784.db2.gz ZTPULQRSRTYYPT-QMMMGPOBSA-N 0 0 389.296 2.649 10 0 GFAERN C[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1CCCO1 ZINC000047805977 551153840 /nfs/dbraw/zinc/15/38/40/551153840.db2.gz WSWGQQGLQJGVEH-WBMJQRKESA-N 0 0 398.301 2.975 10 0 GFAERN O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCN2CCCC[C@@H]2C1 ZINC000106635300 551200976 /nfs/dbraw/zinc/20/09/76/551200976.db2.gz YWNPEVFIOVJYJK-MRXNPFEDSA-N 0 0 389.297 2.945 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116311515 551211822 /nfs/dbraw/zinc/21/18/22/551211822.db2.gz PVSAXUZLEIYCTJ-CYBMUJFWSA-N 0 0 377.286 2.919 10 0 GFAERN Cc1ccc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000116311142 551211987 /nfs/dbraw/zinc/21/19/87/551211987.db2.gz OZAJTISZZCLNJR-CYBMUJFWSA-N 0 0 377.286 2.919 10 0 GFAERN COc1cc(Cl)c(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1Cl ZINC000116370513 551213462 /nfs/dbraw/zinc/21/34/62/551213462.db2.gz DWORLPBNVCFWQO-JTQLQIEISA-N 0 0 390.292 2.914 10 0 GFAERN Cc1noc([C@H](C)N2CCN(Cc3cc(O)ccc3Br)CC2)n1 ZINC000121322021 551231692 /nfs/dbraw/zinc/23/16/92/551231692.db2.gz QNIDMZRCGKYKHX-NSHDSACASA-N 0 0 381.274 2.725 10 0 GFAERN O=C(CCCc1ccccc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000123144473 551303538 /nfs/dbraw/zinc/30/35/38/551303538.db2.gz MQUXFWHADLCKGQ-MRXNPFEDSA-N 0 0 381.314 2.705 10 0 GFAERN O=C(COc1ccc(Br)cc1)N1CCC(Cn2cccn2)CC1 ZINC000126305212 551328068 /nfs/dbraw/zinc/32/80/68/551328068.db2.gz VDNWBIWSQMCCRN-UHFFFAOYSA-N 0 0 378.270 2.963 10 0 GFAERN CC[S@](=O)c1ccccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000127451529 551340832 /nfs/dbraw/zinc/34/08/32/551340832.db2.gz LIMVAJFBZRYARO-YEBMWUKDSA-N 0 0 379.503 2.709 10 0 GFAERN C[C@H](c1cccc(Br)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000128093521 551346651 /nfs/dbraw/zinc/34/66/51/551346651.db2.gz USOIRTJRUPLDDF-CYBMUJFWSA-N 0 0 387.285 2.770 10 0 GFAERN COc1ccsc1S(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000128747683 551352012 /nfs/dbraw/zinc/35/20/12/551352012.db2.gz AAXGIOKJJUFABH-LBPRGKRZSA-N 0 0 382.511 2.600 10 0 GFAERN Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000132747121 551378362 /nfs/dbraw/zinc/37/83/62/551378362.db2.gz BQYXGOFKEGTQOL-OAHLLOKOSA-N 0 0 397.294 2.995 10 0 GFAERN C[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000145469070 551396333 /nfs/dbraw/zinc/39/63/33/551396333.db2.gz FDNOFNJCWUJCFB-VXGBXAGGSA-N 0 0 379.254 2.908 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2cc(F)ccc2Br)C[C@@H]1C ZINC000151156314 551407972 /nfs/dbraw/zinc/40/79/72/551407972.db2.gz UBKFYMGEEJHOOG-ZDUSSCGKSA-N 0 0 387.293 2.700 10 0 GFAERN COC[C@H](NC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CC1 ZINC000151975496 551423816 /nfs/dbraw/zinc/42/38/16/551423816.db2.gz OWHHCQFVRPUFFG-RTHLEPHNSA-N 0 0 385.247 2.519 10 0 GFAERN COC[C@@H](NC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CC1 ZINC000151975661 551423999 /nfs/dbraw/zinc/42/39/99/551423999.db2.gz OWHHCQFVRPUFFG-RMLUDKJBSA-N 0 0 385.247 2.519 10 0 GFAERN C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1ncccc1Br)c1ccccc1 ZINC000154318969 551471936 /nfs/dbraw/zinc/47/19/36/551471936.db2.gz TVZSYVNPSIFRDV-VXGBXAGGSA-N 0 0 397.294 2.884 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000154660591 551480634 /nfs/dbraw/zinc/48/06/34/551480634.db2.gz KBPKKHKKZLKNTH-LXZKKBNFSA-N 0 0 396.329 2.878 10 0 GFAERN Cc1csc([C@H]2CN(CCCS(=O)(=O)c3cccc(C)c3)CCO2)n1 ZINC000155146703 551492718 /nfs/dbraw/zinc/49/27/18/551492718.db2.gz VLIVNUZZKQPMFB-QGZVFWFLSA-N 0 0 380.535 2.997 10 0 GFAERN CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000156749200 551528111 /nfs/dbraw/zinc/52/81/11/551528111.db2.gz DPLVTWIXBXPALR-JOYOIKCWSA-N 0 0 384.263 2.544 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000157045648 551532722 /nfs/dbraw/zinc/53/27/22/551532722.db2.gz TYLMWQNRMBYEHP-LLVKDONJSA-N 0 0 375.281 2.961 10 0 GFAERN CC[C@@H](COC)NC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC000157514663 551538758 /nfs/dbraw/zinc/53/87/58/551538758.db2.gz DLOTZUIUXGFXHP-UONOGXRCSA-N 0 0 387.274 2.778 10 0 GFAERN COC[C@@H](NC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1)C1CC1 ZINC000158391251 551551303 /nfs/dbraw/zinc/55/13/03/551551303.db2.gz LHDVLIROSUSMHX-LSDHHAIUSA-N 0 0 399.285 2.778 10 0 GFAERN O=S(=O)(c1cc(F)ccc1F)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158509238 551552823 /nfs/dbraw/zinc/55/28/23/551552823.db2.gz CIEYAHKIGARGGT-XHDPSFHLSA-N 0 0 375.343 2.740 10 0 GFAERN O=S(=O)(Cc1ccc(Cl)nc1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158553786 551553211 /nfs/dbraw/zinc/55/32/11/551553211.db2.gz YEUILRPQZIJUSV-IUODEOHRSA-N 0 0 388.823 2.651 10 0 GFAERN C[C@H](C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000164089063 551623882 /nfs/dbraw/zinc/62/38/82/551623882.db2.gz HNPNVXZQESNQNZ-JKIFEVAISA-N 0 0 381.314 2.732 10 0 GFAERN C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CCCn2ncnc21 ZINC000164776718 551626914 /nfs/dbraw/zinc/62/69/14/551626914.db2.gz VEFVORQGYARABR-FZMZJTMJSA-N 0 0 378.274 2.882 10 0 GFAERN C[C@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCS1 ZINC000171569234 551657983 /nfs/dbraw/zinc/65/79/83/551657983.db2.gz ZOEDFVYIILPRSC-FZMZJTMJSA-N 0 0 383.311 2.766 10 0 GFAERN O=C(CN1CCO[C@@H](c2nccs2)C1)Nc1nc(-c2ccco2)cs1 ZINC000171662987 551660031 /nfs/dbraw/zinc/66/00/31/551660031.db2.gz SVNKGOFRBWXFJZ-CYBMUJFWSA-N 0 0 376.463 2.872 10 0 GFAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CCC(c2cc[nH]n2)CC1 ZINC000172385611 551677702 /nfs/dbraw/zinc/67/77/02/551677702.db2.gz YTFYZODEHCMBOQ-UHFFFAOYSA-N 0 0 378.226 2.921 10 0 GFAERN O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000172849316 551688126 /nfs/dbraw/zinc/68/81/26/551688126.db2.gz HSTHBDDDMWBICL-LSDHHAIUSA-N 0 0 378.485 2.583 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3cc(Cl)ccc3Br)CCO2)[nH]1 ZINC000173096902 551696020 /nfs/dbraw/zinc/69/60/20/551696020.db2.gz KEFCYKIHPUJYPR-GFCCVEGCSA-N 0 0 399.676 2.997 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000173131460 552078565 /nfs/dbraw/zinc/07/85/65/552078565.db2.gz FMWNISZABQHXND-CQSZACIVSA-N 0 0 378.416 2.934 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3cccc(Br)c3C)CCO2)c1 ZINC000173354495 552083944 /nfs/dbraw/zinc/08/39/44/552083944.db2.gz GYFONBKPJGRBER-CQSZACIVSA-N 0 0 378.270 2.804 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3csc(-c4cccs4)n3)CCO2)[nH]1 ZINC000173573565 552088302 /nfs/dbraw/zinc/08/83/02/552088302.db2.gz XMFCXTMUXVPGTN-NSHDSACASA-N 0 0 375.479 2.766 10 0 GFAERN CC(C)c1csc([C@H]2CCCN(C(=O)c3csc(S(N)(=O)=O)c3)C2)n1 ZINC000173961726 552095956 /nfs/dbraw/zinc/09/59/56/552095956.db2.gz GWDORCAKMMVGBS-NSHDSACASA-N 0 0 399.563 2.995 10 0 GFAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174106003 552099197 /nfs/dbraw/zinc/09/91/97/552099197.db2.gz GEZNFZQSKVOYHU-AWEZNQCLSA-N 0 0 380.217 2.806 10 0 GFAERN C[C@H]1CN([C@@H](CNC(=O)N(C)Cc2cscn2)c2cccs2)CCO1 ZINC000175051253 552114690 /nfs/dbraw/zinc/11/46/90/552114690.db2.gz BIVOJUYMQRJJCA-ZFWWWQNUSA-N 0 0 380.539 2.808 10 0 GFAERN COC(=O)c1cccc(CS(=O)(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000175381885 552120863 /nfs/dbraw/zinc/12/08/63/552120863.db2.gz IJNNAPBBPXXPJK-HNNXBMFYSA-N 0 0 380.491 2.987 10 0 GFAERN CC[C@@H](NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1 ZINC000176349844 552139221 /nfs/dbraw/zinc/13/92/21/552139221.db2.gz RTKVVOYYDGKXSG-IAQYHMDHSA-N 0 0 388.295 2.991 10 0 GFAERN CCc1nc(CC(=O)NC[C@@H](c2ccc(C)s2)N2CCOCC2)cs1 ZINC000176570749 552141934 /nfs/dbraw/zinc/14/19/34/552141934.db2.gz FOKVYLOEDPKSGG-HNNXBMFYSA-N 0 0 379.551 2.808 10 0 GFAERN Cc1nc(CN2CCCN(Cc3cc(F)cc(Br)c3)CC2)no1 ZINC000177711392 552157333 /nfs/dbraw/zinc/15/73/33/552157333.db2.gz FRILTBHDTRYUDX-UHFFFAOYSA-N 0 0 383.265 2.988 10 0 GFAERN C[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)c1ccccc1Br ZINC000178447278 552170843 /nfs/dbraw/zinc/17/08/43/552170843.db2.gz HRHBXRJDYODTDL-NSHDSACASA-N 0 0 389.315 2.634 10 0 GFAERN C[C@H]1CN([C@@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000178621136 552173358 /nfs/dbraw/zinc/17/33/58/552173358.db2.gz WMFNDRGFUANECZ-KBPBESRZSA-N 0 0 380.539 2.508 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)C(C)C ZINC000178865078 552177684 /nfs/dbraw/zinc/17/76/84/552177684.db2.gz NQJMJADSKANAIR-OAHLLOKOSA-N 0 0 378.885 2.782 10 0 GFAERN CCN(CCc1nccs1)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000179228822 552187824 /nfs/dbraw/zinc/18/78/24/552187824.db2.gz QLLUNWLFRVMZHX-AWEZNQCLSA-N 0 0 379.507 2.636 10 0 GFAERN O=C(NCCOCc1ccc(Cl)cc1Cl)N[C@@H]1CCCn2ncnc21 ZINC000179638272 552198400 /nfs/dbraw/zinc/19/84/00/552198400.db2.gz BTKOGCZHXCNPOI-CQSZACIVSA-N 0 0 384.267 2.936 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCCOCc1ccc(Cl)cc1Cl)C(C)C ZINC000179666849 552199918 /nfs/dbraw/zinc/19/99/18/552199918.db2.gz HLWNMFDTLXQGNY-CQSZACIVSA-N 0 0 376.284 2.580 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)C(C)C ZINC000179775383 552202610 /nfs/dbraw/zinc/20/26/10/552202610.db2.gz YSWHBPRGZUYVIN-LLVKDONJSA-N 0 0 381.192 2.968 10 0 GFAERN FC(F)Oc1ccc(CN2CC[C@@H](N3CCOCC3)C2)cc1Br ZINC000179779471 552203169 /nfs/dbraw/zinc/20/31/69/552203169.db2.gz MIHCZHFPOCBGEE-CYBMUJFWSA-N 0 0 391.256 2.957 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000179990922 552209337 /nfs/dbraw/zinc/20/93/37/552209337.db2.gz NNWDJHGPIFTYLX-UONOGXRCSA-N 0 0 383.279 2.702 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000180056081 552210922 /nfs/dbraw/zinc/21/09/22/552210922.db2.gz CLXKKHSIWRQOGG-UHFFFAOYSA-N 0 0 388.280 2.676 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(Br)c2Cl)CC1 ZINC000180096733 552213369 /nfs/dbraw/zinc/21/33/69/552213369.db2.gz BHCWYBLYLCQIMB-NSHDSACASA-N 0 0 375.694 2.631 10 0 GFAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000180235569 552218708 /nfs/dbraw/zinc/21/87/08/552218708.db2.gz FQPUWFLTVNBUPZ-PWSUYJOCSA-N 0 0 394.324 2.778 10 0 GFAERN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180981215 552242010 /nfs/dbraw/zinc/24/20/10/552242010.db2.gz SHUVYPJRXBZGJT-LBPRGKRZSA-N 0 0 389.308 2.827 10 0 GFAERN O=C(Nc1ccc(Cl)c(OC(F)F)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000181892869 552269847 /nfs/dbraw/zinc/26/98/47/552269847.db2.gz VLIPYFLXFZWRHD-CABZTGNLSA-N 0 0 376.787 2.547 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)Nc2nnc(C(F)(F)F)s2)C12CCOCC2 ZINC000183982631 552324467 /nfs/dbraw/zinc/32/44/67/552324467.db2.gz MPOUKAGQDATYOW-IUCAKERBSA-N 0 0 380.392 2.653 10 0 GFAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000184155811 552328428 /nfs/dbraw/zinc/32/84/28/552328428.db2.gz VAVCASDYTBEUGO-TZMCWYRMSA-N 0 0 376.507 2.970 10 0 GFAERN O=C(CCc1cc(F)ccc1Br)N1CCC[C@@H](n2cncn2)C1 ZINC000184271918 552331821 /nfs/dbraw/zinc/33/18/21/552331821.db2.gz FISSOHDZHZBERI-CQSZACIVSA-N 0 0 381.249 2.976 10 0 GFAERN O=C(NCCCOCCO)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000185575473 552366433 /nfs/dbraw/zinc/36/64/33/552366433.db2.gz OXJRUGWAAVISEJ-GOEBONIOSA-N 0 0 376.280 2.976 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br ZINC000185773337 552370245 /nfs/dbraw/zinc/37/02/45/552370245.db2.gz KYKNBDWPSIWVGQ-CABZTGNLSA-N 0 0 397.269 2.868 10 0 GFAERN Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000186349467 552385771 /nfs/dbraw/zinc/38/57/71/552385771.db2.gz CUTNLMTYJQGJGX-CYBMUJFWSA-N 0 0 392.264 2.588 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Br)c(C)nc1OC ZINC000186783851 552397626 /nfs/dbraw/zinc/39/76/26/552397626.db2.gz OZGJFJNIBQKIBC-LBPRGKRZSA-N 0 0 394.273 2.580 10 0 GFAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000187207438 552409410 /nfs/dbraw/zinc/40/94/10/552409410.db2.gz HYBNSVUVLPDGID-GXFFZTMASA-N 0 0 387.249 2.502 10 0 GFAERN O=C(c1cc(F)cc2[nH]c(=S)[nH]c21)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187565730 552419485 /nfs/dbraw/zinc/41/94/85/552419485.db2.gz PZBFJUYLLAXXQD-GWCFXTLKSA-N 0 0 377.466 2.900 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1ccc(F)cc1Br)CC2 ZINC000188206339 552439168 /nfs/dbraw/zinc/43/91/68/552439168.db2.gz ASYIFVLWVCZOQU-CYBMUJFWSA-N 0 0 395.276 2.977 10 0 GFAERN C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188824726 552456191 /nfs/dbraw/zinc/45/61/91/552456191.db2.gz CDTLVVSTYJRCJO-LBPRGKRZSA-N 0 0 394.313 2.690 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(I)cc2)C1 ZINC000189328406 552468612 /nfs/dbraw/zinc/46/86/12/552468612.db2.gz PJCFOUKKULENCK-UONOGXRCSA-N 0 0 399.232 2.945 10 0 GFAERN O=C(N[C@H]1CCCn2ncnc21)N1CCc2cc(Br)ccc2C1 ZINC000189500704 552473398 /nfs/dbraw/zinc/47/33/98/552473398.db2.gz LMAWLECYVKMXBO-AWEZNQCLSA-N 0 0 376.258 2.643 10 0 GFAERN CC(C)[C@H](NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl)C(N)=O ZINC000189532823 552474170 /nfs/dbraw/zinc/47/41/70/552474170.db2.gz FGKFCUJRJADGSR-AWEZNQCLSA-N 0 0 384.267 2.870 10 0 GFAERN C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@@H]1N1CCOCC1 ZINC000189935234 552483211 /nfs/dbraw/zinc/48/32/11/552483211.db2.gz ULKFFYIUVVNCOU-YPMHNXCESA-N 0 0 380.901 2.584 10 0 GFAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cc(C)c1Br ZINC000190590423 552502212 /nfs/dbraw/zinc/50/22/12/552502212.db2.gz KUAFIBUYJQHFHP-TZMCWYRMSA-N 0 0 383.286 2.672 10 0 GFAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000191567230 552531938 /nfs/dbraw/zinc/53/19/38/552531938.db2.gz XVQPKYDHNYNPRI-ZFWWWQNUSA-N 0 0 397.313 2.729 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000191765699 552537462 /nfs/dbraw/zinc/53/74/62/552537462.db2.gz GGWHMOKYNUKRAB-ZDUSSCGKSA-N 0 0 379.298 2.998 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[C@H]1CCCO1 ZINC000192957455 552979254 /nfs/dbraw/zinc/97/92/54/552979254.db2.gz WSIMSKASBULGRX-MEBBXXQBSA-N 0 0 381.270 2.560 10 0 GFAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(Cl)s2)s1 ZINC000193271302 552988466 /nfs/dbraw/zinc/98/84/66/552988466.db2.gz SUDMMEICCBJDAI-QMMMGPOBSA-N 0 0 393.943 2.932 10 0 GFAERN CCCCOC[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000193362369 552991038 /nfs/dbraw/zinc/99/10/38/552991038.db2.gz CFCVPDUTMSRDPW-SJCJKPOMSA-N 0 0 389.279 2.938 10 0 GFAERN Cc1nc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)ccc1Br ZINC000194147774 553012872 /nfs/dbraw/zinc/01/28/72/553012872.db2.gz LWRXGPUOWJTTEH-ZDUSSCGKSA-N 0 0 392.257 2.568 10 0 GFAERN CN1CCO[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000194621204 553025606 /nfs/dbraw/zinc/02/56/06/553025606.db2.gz KPGZCXYWYXMWOL-INIZCTEOSA-N 0 0 381.314 2.708 10 0 GFAERN C[C@H](C(=O)NCC1CCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000194694452 553027633 /nfs/dbraw/zinc/02/76/33/553027633.db2.gz NZPJTRYSHZROEP-SECBINFHSA-N 0 0 385.247 2.521 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1ccc(F)c(Br)c1)CC2 ZINC000195284040 553043860 /nfs/dbraw/zinc/04/38/60/553043860.db2.gz DCTQBNOKLMAXRQ-LBPRGKRZSA-N 0 0 395.276 2.977 10 0 GFAERN CS(=O)(=O)c1ccc(NC(=O)CN2CCCC[C@@H]2c2nccs2)cc1 ZINC000195362362 553046147 /nfs/dbraw/zinc/04/61/47/553046147.db2.gz VWVRJKIMXAGEJK-OAHLLOKOSA-N 0 0 379.507 2.712 10 0 GFAERN C[C@H](NC(=O)c1ccc(CS(N)(=O)=O)cc1)c1cccc(Br)c1 ZINC000195440788 553048903 /nfs/dbraw/zinc/04/89/03/553048903.db2.gz LMWGYRPBSUSQKF-NSHDSACASA-N 0 0 397.294 2.729 10 0 GFAERN O=S(=O)(N[C@@H]1CCCC[C@H]1CO)c1ccc(Cl)c(Br)c1 ZINC000236504275 553069105 /nfs/dbraw/zinc/06/91/05/553069105.db2.gz XTQHCDAOCAEPND-TVQRCGJNSA-N 0 0 382.707 2.932 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cc(C)c(Br)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000245553798 553092711 /nfs/dbraw/zinc/09/27/11/553092711.db2.gz GACULNFSFGIAMF-LSDHHAIUSA-N 0 0 383.330 2.983 10 0 GFAERN CC[C@H]1CN(C(=O)c2cc(C)c(Br)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000245553797 553092849 /nfs/dbraw/zinc/09/28/49/553092849.db2.gz GACULNFSFGIAMF-GJZGRUSLSA-N 0 0 383.330 2.983 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Br)c2)C[C@@H]1C ZINC000246150271 553103510 /nfs/dbraw/zinc/10/35/10/553103510.db2.gz VNCIEKUZHYCMRW-QWRGUYRKSA-N 0 0 375.694 2.630 10 0 GFAERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246968032 553116591 /nfs/dbraw/zinc/11/65/91/553116591.db2.gz QATNMDIVUDZEFW-YDHLFZDLSA-N 0 0 387.307 2.940 10 0 GFAERN C[C@H](C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)c1ccc(Br)s1 ZINC000247043756 553118120 /nfs/dbraw/zinc/11/81/20/553118120.db2.gz YBOWZPJICVUQOQ-SRVKXCTJSA-N 0 0 375.332 2.528 10 0 GFAERN CCOCCN1CCN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1C ZINC000247737117 553125143 /nfs/dbraw/zinc/12/51/43/553125143.db2.gz MYRJQFQXAMZODE-GFCCVEGCSA-N 0 0 399.289 2.635 10 0 GFAERN CCOCCN1CCN(CC(=O)Nc2ccc(Br)c(C)c2)C[C@H]1C ZINC000247878045 553126515 /nfs/dbraw/zinc/12/65/15/553126515.db2.gz YXODYJYMWRXXMQ-OAHLLOKOSA-N 0 0 398.345 2.739 10 0 GFAERN Cc1cc(N2C[C@H](C(=O)N[C@H](C)[C@H]3CCCO3)CC2=O)ccc1Br ZINC000248056359 553127705 /nfs/dbraw/zinc/12/77/05/553127705.db2.gz CACWWDIDCJVWSE-XJKCOSOUSA-N 0 0 395.297 2.794 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000263093198 553182146 /nfs/dbraw/zinc/18/21/46/553182146.db2.gz VSYHTBWRBNXNBV-UHFFFAOYSA-N 0 0 388.295 2.773 10 0 GFAERN CO[C@]1(C(=O)Nc2cc(Cl)ccc2I)CCOC1 ZINC000297833415 563337095 /nfs/dbraw/zinc/33/70/95/563337095.db2.gz QULDXKORZJNCBR-GFCCVEGCSA-N 0 0 381.597 2.689 10 0 GFAERN Cn1ncc(NCc2nc(-c3cccc(Cl)c3)no2)c(Br)c1=O ZINC000301249436 563398077 /nfs/dbraw/zinc/39/80/77/563398077.db2.gz BPICIBNNZYPNKM-UHFFFAOYSA-N 0 0 396.632 2.858 10 0 GFAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000282135008 563399097 /nfs/dbraw/zinc/39/90/97/563399097.db2.gz OMGVRLPHUZROHZ-RDDDGLTNSA-N 0 0 390.075 2.609 10 0 GFAERN COc1ccsc1S(=O)(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328619965 563461701 /nfs/dbraw/zinc/46/17/01/563461701.db2.gz GOPGAWKOZHMQAP-VIFPVBQESA-N 0 0 395.428 2.513 10 0 GFAERN CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1c1ncc[nH]1 ZINC000328616782 563461797 /nfs/dbraw/zinc/46/17/97/563461797.db2.gz CAGQCOWMECTBFO-AWEZNQCLSA-N 0 0 389.308 2.535 10 0 GFAERN C[C@@H](NC(=O)NCCNC(=O)c1ccco1)c1cccc(Br)c1 ZINC000500399603 564951909 /nfs/dbraw/zinc/95/19/09/564951909.db2.gz FVDPZZRSCDOUGC-LLVKDONJSA-N 0 0 380.242 2.832 10 0 GFAERN CC1=C(C(N)=O)[C@H](c2ccc(COc3ccc(F)cc3F)o2)n2ncnc2N1 ZINC000020412994 570254677 /nfs/dbraw/zinc/25/46/77/570254677.db2.gz IYNKHLITEMYQPT-INIZCTEOSA-N 0 0 387.346 2.503 10 0 GFAERN COC(=O)c1nn(-c2ccccc2)c(N)c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000725254673 570280252 /nfs/dbraw/zinc/28/02/52/570280252.db2.gz PAOBIULSLRCFKZ-CYBMUJFWSA-N 0 0 386.452 2.966 10 0 GFAERN CCOC(=O)C(=O)c1ccc2c(c1)c1cc(C(=O)C(=O)OCC)ccc1n2C ZINC000003171882 570331761 /nfs/dbraw/zinc/33/17/61/570331761.db2.gz CTCXUYSCTBMFEQ-UHFFFAOYSA-N 0 0 381.384 2.823 10 0 GFAERN CCc1[nH]nc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1C ZINC000032519503 570511347 /nfs/dbraw/zinc/51/13/47/570511347.db2.gz PRFYZOOKDVQMKP-LJQANCHMSA-N 0 0 399.514 2.846 10 0 GFAERN COC(=O)c1cccc(NC(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)c2cccs2)c1 ZINC000097139595 570899052 /nfs/dbraw/zinc/89/90/52/570899052.db2.gz LVICKTFVHYONEN-BPUTZDHNSA-N 0 0 399.472 2.959 10 0 GFAERN O=C(NC1CC1)[C@H]1CN(C(=O)Nc2cc(F)ccc2F)CC12CCOCC2 ZINC000097077677 570936805 /nfs/dbraw/zinc/93/68/05/570936805.db2.gz YPZKDVYZXHZGPK-CQSZACIVSA-N 0 0 379.407 2.504 10 0 GFAERN CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CCC(NC(=O)C3CC3)CC2)ncn1 ZINC000435344187 570994287 /nfs/dbraw/zinc/99/42/87/570994287.db2.gz SYNWMJRSRCKZRZ-YLJYHZDGSA-N 0 0 387.528 2.587 10 0 GFAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000017851861 654522094 /nfs/dbraw/zinc/52/20/94/654522094.db2.gz VHOGQWQTDVQYDN-NWDGAFQWSA-N 0 0 382.869 2.632 10 0 GFAERN C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000017851862 654522111 /nfs/dbraw/zinc/52/21/11/654522111.db2.gz VHOGQWQTDVQYDN-RYUDHWBXSA-N 0 0 382.869 2.632 10 0 GFAERN Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1I ZINC000024001404 654541363 /nfs/dbraw/zinc/54/13/63/654541363.db2.gz FALSMYJNFKSOFS-SNVBAGLBSA-N 0 0 398.200 2.950 10 0 GFAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000024225122 654542775 /nfs/dbraw/zinc/54/27/75/654542775.db2.gz GQFYNJNJJYYGPN-IUCAKERBSA-N 0 0 398.706 2.909 10 0 GFAERN C[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000025736924 654552878 /nfs/dbraw/zinc/55/28/78/654552878.db2.gz DAKMZKUZRWHLQL-IINYFYTJSA-N 0 0 379.309 2.985 10 0 GFAERN C[C@@H](NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)[C@H]1CCCO1 ZINC000027903452 654566392 /nfs/dbraw/zinc/56/63/92/654566392.db2.gz KECAUSPOJLLAHG-BXUZGUMPSA-N 0 0 379.507 2.612 10 0 GFAERN C[C@@H]1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C[C@@H](C)O1 ZINC000032633633 654606932 /nfs/dbraw/zinc/60/69/32/654606932.db2.gz LGHJNSOMRBBZMV-VXGBXAGGSA-N 0 0 379.507 2.564 10 0 GFAERN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)s2)c1 ZINC000041758576 654630875 /nfs/dbraw/zinc/63/08/75/654630875.db2.gz QFWGDLHXCYJUEP-SNVBAGLBSA-N 0 0 379.869 2.885 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1cccs1 ZINC000048880907 654713411 /nfs/dbraw/zinc/71/34/11/654713411.db2.gz GPVRVFQEABAAOB-VIFPVBQESA-N 0 0 386.882 2.621 10 0 GFAERN CCN(C(=O)N[C@H](C)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000049789279 654716052 /nfs/dbraw/zinc/71/60/52/654716052.db2.gz MRCIMJSDHRWCHC-VXGBXAGGSA-N 0 0 389.315 2.729 10 0 GFAERN C[C@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1C(F)(F)F ZINC000121878833 654724871 /nfs/dbraw/zinc/72/48/71/654724871.db2.gz PZZQAUYAKKPHCW-NSHDSACASA-N 0 0 379.400 2.981 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C)c1Br ZINC000121962776 654725890 /nfs/dbraw/zinc/72/58/90/654725890.db2.gz OEWUWMHOIYWEIN-CYBMUJFWSA-N 0 0 389.315 2.900 10 0 GFAERN Brc1ccc2c(c1)C=C(CN1CCO[C@H](Cn3cccn3)C1)CO2 ZINC000122285026 654732364 /nfs/dbraw/zinc/73/23/64/654732364.db2.gz IVZLLWBLJVZPME-KRWDZBQOSA-N 0 0 390.281 2.822 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(Br)c(F)c1)CC2 ZINC000122309823 654733298 /nfs/dbraw/zinc/73/32/98/654733298.db2.gz AUNAFCBRSIITNH-LBPRGKRZSA-N 0 0 395.276 2.977 10 0 GFAERN O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@H]1COc2ccccc21 ZINC000122843319 654744338 /nfs/dbraw/zinc/74/43/38/654744338.db2.gz GCFMWZOYVRYVIA-ZDUSSCGKSA-N 0 0 397.175 2.916 10 0 GFAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000128452209 654847237 /nfs/dbraw/zinc/84/72/37/654847237.db2.gz RCCUBMABWKQCJF-ZDUSSCGKSA-N 0 0 384.864 2.559 10 0 GFAERN O=S(=O)(c1ccc(Cl)nc1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000128703769 654851395 /nfs/dbraw/zinc/85/13/95/654851395.db2.gz PNJPQTRADWMOQA-ZDUSSCGKSA-N 0 0 381.889 2.579 10 0 GFAERN Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)ccc1Br ZINC000132688290 654945909 /nfs/dbraw/zinc/94/59/09/654945909.db2.gz PQHZWMBMVGXJEN-CQSZACIVSA-N 0 0 397.294 2.995 10 0 GFAERN C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1c(Cl)ccc(F)c1Cl ZINC000097699260 655037759 /nfs/dbraw/zinc/03/77/59/655037759.db2.gz BDVBNCXXHCLXAF-ZETCQYMHSA-N 0 0 376.215 2.640 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2ccc(C)nc2Br)C[C@@H]1C ZINC000151432331 655051229 /nfs/dbraw/zinc/05/12/29/655051229.db2.gz RSEBDIJEDUXOFQ-ZDUSSCGKSA-N 0 0 385.306 2.727 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1nc(Cl)ccc1Cl ZINC000103819989 655076437 /nfs/dbraw/zinc/07/64/37/655076437.db2.gz VLSVDLXJHUIZIH-LBPRGKRZSA-N 0 0 381.281 2.636 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1cc(F)ccc1Br ZINC000155322311 655083632 /nfs/dbraw/zinc/08/36/32/655083632.db2.gz YFKUNGVRNHOGTG-GFCCVEGCSA-N 0 0 394.262 2.698 10 0 GFAERN COCCN1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000106109531 655103119 /nfs/dbraw/zinc/10/31/19/655103119.db2.gz XIRPPORXKAAKCV-KGLIPLIRSA-N 0 0 388.339 2.823 10 0 GFAERN Cc1cnn([C@@H]2CCCN(CC(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000106222387 655105225 /nfs/dbraw/zinc/10/52/25/655105225.db2.gz YYCNFIWFHAKIPL-CQSZACIVSA-N 0 0 378.274 2.625 10 0 GFAERN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000106219121 655105264 /nfs/dbraw/zinc/10/52/64/655105264.db2.gz IMSCXWQAHASHPV-CQSZACIVSA-N 0 0 382.295 2.880 10 0 GFAERN CCOc1cc(C)nc(N2CCN(C(=O)c3sccc3SC)CC2)n1 ZINC000107252985 655119254 /nfs/dbraw/zinc/11/92/54/655119254.db2.gz AAEXJSSHXLORME-UHFFFAOYSA-N 0 0 378.523 2.930 10 0 GFAERN COC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)c1ccccc1 ZINC000170657254 655144912 /nfs/dbraw/zinc/14/49/12/655144912.db2.gz RZWWGHINKTYKRI-LLVKDONJSA-N 0 0 389.260 2.971 10 0 GFAERN CCCCNC(=O)Cc1noc(CCOc2cccc(Br)c2)n1 ZINC000109447174 655146832 /nfs/dbraw/zinc/14/68/32/655146832.db2.gz HRRGERBIHHZZFZ-UHFFFAOYSA-N 0 0 382.258 2.912 10 0 GFAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000171097600 655148613 /nfs/dbraw/zinc/14/86/13/655148613.db2.gz OAPYNBPUCWHIAC-PLWJUESGSA-N 0 0 388.283 2.777 10 0 GFAERN COc1cc(Br)ccc1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000109637947 655149564 /nfs/dbraw/zinc/14/95/64/655149564.db2.gz OZZTXNUQYFGSEE-UHFFFAOYSA-N 0 0 391.269 2.964 10 0 GFAERN CCCn1cc(CN2CCCN(C(=O)c3cc(Br)c[nH]3)CC2)cn1 ZINC000109664804 655150190 /nfs/dbraw/zinc/15/01/90/655150190.db2.gz IYTFKOBNHLQAPF-UHFFFAOYSA-N 0 0 394.317 2.732 10 0 GFAERN O=C(OCCSCc1ccc(Br)cc1F)[C@H]1CNC(=O)C1 ZINC000171502034 655152081 /nfs/dbraw/zinc/15/20/81/655152081.db2.gz KTOARJAYMLDWIV-SNVBAGLBSA-N 0 0 376.247 2.501 10 0 GFAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000109988947 655154836 /nfs/dbraw/zinc/15/48/36/655154836.db2.gz QGUUGYGHYNAPIL-IOASZLSFSA-N 0 0 395.297 2.690 10 0 GFAERN O=C(CCc1nnc(-c2ccsc2)o1)N1CCO[C@H](c2nccs2)C1 ZINC000110881870 655160995 /nfs/dbraw/zinc/16/09/95/655160995.db2.gz GSIJWFWNFMCAAH-LBPRGKRZSA-N 0 0 376.463 2.787 10 0 GFAERN O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083338 655164180 /nfs/dbraw/zinc/16/41/80/655164180.db2.gz PWAIMXKZAGZFLT-GVDBMIGSSA-N 0 0 390.281 2.677 10 0 GFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2nc(Cl)ccc2Cl)ncn1 ZINC000173444695 655172668 /nfs/dbraw/zinc/17/26/68/655172668.db2.gz JHXOTJKEROMVJD-SNVBAGLBSA-N 0 0 381.267 2.619 10 0 GFAERN C[C@H](C(=O)OCc1ccc(Br)cn1)N1C(=O)c2ccccc2C1=O ZINC000112207324 655184397 /nfs/dbraw/zinc/18/43/97/655184397.db2.gz PDQWLQHLGCKTOE-SNVBAGLBSA-N 0 0 389.205 2.572 10 0 GFAERN CCOc1ncc(C(=O)N2CCN(Cc3cnc(C)s3)CC2)cc1Cl ZINC000112297479 655187216 /nfs/dbraw/zinc/18/72/16/655187216.db2.gz SCCISUIKNNYVOV-UHFFFAOYSA-N 0 0 380.901 2.857 10 0 GFAERN O=S(=O)(/C=C/c1cccc(Br)c1)N1CCC[C@H](n2cncn2)C1 ZINC000173983379 655188111 /nfs/dbraw/zinc/18/81/11/655188111.db2.gz NWULPACXDPADFJ-VFADXPBXSA-N 0 0 397.298 2.678 10 0 GFAERN O=C(NCCc1cc(Br)ccc1F)N1CCC[C@H](n2cncn2)C1 ZINC000174362990 655200331 /nfs/dbraw/zinc/20/03/31/655200331.db2.gz NVRLAXSGVKBHFK-AWEZNQCLSA-N 0 0 396.264 2.769 10 0 GFAERN CC[C@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CCN1C[C@@H](C)O ZINC000174616343 655205254 /nfs/dbraw/zinc/20/52/54/655205254.db2.gz HIADDKRJENCUPX-NEPJUHHUSA-N 0 0 377.432 2.611 10 0 GFAERN Cc1cc(OC(F)F)c(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000114314410 655221317 /nfs/dbraw/zinc/22/13/17/655221317.db2.gz YZCDQQDKKGZBNM-SECBINFHSA-N 0 0 390.433 2.796 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000114720168 655227751 /nfs/dbraw/zinc/22/77/51/655227751.db2.gz VPJJDWXPRYYEDP-UHFFFAOYSA-N 0 0 385.343 2.649 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3ccc(Cl)s3)on1)CC2 ZINC000114862862 655229794 /nfs/dbraw/zinc/22/97/94/655229794.db2.gz OEKNUCAGWQOPLP-SECBINFHSA-N 0 0 377.857 2.955 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cc(F)ccc1Br)CC2 ZINC000114938428 655230499 /nfs/dbraw/zinc/23/04/99/655230499.db2.gz IDIFXLJTEMYUQX-LBPRGKRZSA-N 0 0 396.264 2.556 10 0 GFAERN CNS(=O)(=O)c1csc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000176166688 655238047 /nfs/dbraw/zinc/23/80/47/655238047.db2.gz TURLZKFOPBIVHL-QMMMGPOBSA-N 0 0 376.862 2.940 10 0 GFAERN CCc1cnc(CN(C)C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000176179544 655238553 /nfs/dbraw/zinc/23/85/53/655238553.db2.gz YQTDCWPPFCBYHX-AWEZNQCLSA-N 0 0 379.507 2.766 10 0 GFAERN O=C(CSCC(=O)N1CCC[C@H](n2cncn2)C1)c1ccc(Cl)cc1 ZINC000176229882 655240718 /nfs/dbraw/zinc/24/07/18/655240718.db2.gz JXLRXQTWVFVWPQ-HNNXBMFYSA-N 0 0 378.885 2.711 10 0 GFAERN CC[C@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(C)C ZINC000115817943 655242766 /nfs/dbraw/zinc/24/27/66/655242766.db2.gz VSSHMHBVPDTFTO-LBPRGKRZSA-N 0 0 377.304 2.569 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3ccc([S@](C)=O)cc3)CC2)cs1 ZINC000116468459 655248397 /nfs/dbraw/zinc/24/83/97/655248397.db2.gz NLZQEDFPXJUJPG-RUZDIDTESA-N 0 0 377.535 2.537 10 0 GFAERN Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000116587061 655249828 /nfs/dbraw/zinc/24/98/28/655249828.db2.gz OLPNZXCLGTYDLV-LLVKDONJSA-N 0 0 381.263 2.990 10 0 GFAERN CCn1ccnc1CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000176907232 655260632 /nfs/dbraw/zinc/26/06/32/655260632.db2.gz BEGGCSDIFGGNGX-QWHCGFSZSA-N 0 0 383.901 2.737 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc(Br)c(C)c3)CCO2)[nH]1 ZINC000176950510 655263564 /nfs/dbraw/zinc/26/35/64/655263564.db2.gz SKFYFVUYYQYKHN-ZDUSSCGKSA-N 0 0 380.246 2.789 10 0 GFAERN Cc1cnn(CCNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 ZINC000117817648 655268314 /nfs/dbraw/zinc/26/83/14/655268314.db2.gz VNQANLZTJRPBFT-UHFFFAOYSA-N 0 0 388.269 2.878 10 0 GFAERN Cc1sc2[nH]c(CSC[C@H](O)CO)nc(=O)c2c1-c1ccc(C)cc1 ZINC000177429717 655276662 /nfs/dbraw/zinc/27/66/62/655276662.db2.gz XLCOORQRAQKPGH-CYBMUJFWSA-N 0 0 376.503 2.855 10 0 GFAERN O=C(CCc1ccccc1Br)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118672457 655280783 /nfs/dbraw/zinc/28/07/83/655280783.db2.gz KIMZXXBWWOWKKD-HNNXBMFYSA-N 0 0 389.297 2.957 10 0 GFAERN O=S(=O)(Cc1ccc(Cl)nc1)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000177583547 655282372 /nfs/dbraw/zinc/28/23/72/655282372.db2.gz IQEWAQIQGOBLHP-UHFFFAOYSA-N 0 0 382.873 2.884 10 0 GFAERN CN1CCO[C@H](CNC(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177989371 655294104 /nfs/dbraw/zinc/29/41/04/655294104.db2.gz XQTQJRAQCNDCBW-MRVPVSSYSA-N 0 0 380.645 2.694 10 0 GFAERN CC(C)c1nc(C2(NC(=O)c3csc(S(C)(=O)=O)c3)CCCC2)no1 ZINC000119299862 655297566 /nfs/dbraw/zinc/29/75/66/655297566.db2.gz ZMHMCBRQHGYFKE-UHFFFAOYSA-N 0 0 383.495 2.857 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1cnc(Cl)cn1)c1cccc(Br)c1 ZINC000178217731 655299953 /nfs/dbraw/zinc/29/99/53/655299953.db2.gz ZYKXLFDKOWJJNO-NSHDSACASA-N 0 0 398.644 2.927 10 0 GFAERN CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CCN1C[C@@H](C)O ZINC000178564615 655305059 /nfs/dbraw/zinc/30/50/59/655305059.db2.gz HRIVQHTXOKROLL-GHMZBOCLSA-N 0 0 379.810 2.671 10 0 GFAERN C[C@H](NC(=O)NCc1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000178627935 655306334 /nfs/dbraw/zinc/30/63/34/655306334.db2.gz LMASUKADYHXQAW-NSHDSACASA-N 0 0 378.274 2.937 10 0 GFAERN O=C(N[C@@H]1COc2ccccc21)c1cc(Cn2cc(Br)cn2)on1 ZINC000119553813 655307002 /nfs/dbraw/zinc/30/70/02/655307002.db2.gz QPSLYTAFCLPMRK-CQSZACIVSA-N 0 0 389.209 2.545 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2ccc(Br)nc2C)C[C@H]1C ZINC000181301325 655334655 /nfs/dbraw/zinc/33/46/55/655334655.db2.gz LYHADGADJNCLPO-GFCCVEGCSA-N 0 0 385.306 2.727 10 0 GFAERN C[C@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)c1cccc(Br)c1 ZINC000120522255 655338008 /nfs/dbraw/zinc/33/80/08/655338008.db2.gz SYMAATUSQNCAGZ-STQMWFEESA-N 0 0 393.285 2.542 10 0 GFAERN O=C(OCC1CC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183524364 655351828 /nfs/dbraw/zinc/35/18/28/655351828.db2.gz HDFRJWUTWLCMBA-MRXNPFEDSA-N 0 0 377.487 2.817 10 0 GFAERN CCOC(=O)C[C@@H](NC(=O)C[C@@H](O)C(C)C)c1cccc(Br)c1 ZINC000184853910 655359843 /nfs/dbraw/zinc/35/98/43/655359843.db2.gz PHPVXYVUTWPDJJ-HUUCEWRRSA-N 0 0 386.286 2.967 10 0 GFAERN C[C@H](NC(=O)NNc1nc2ccccn2n1)c1ccccc1Br ZINC000190467019 655392307 /nfs/dbraw/zinc/39/23/07/655392307.db2.gz BRNJNFLVMCACQF-JTQLQIEISA-N 0 0 375.230 2.879 10 0 GFAERN C[C@@H]1OCCC[C@H]1C(=O)Oc1cc([N+](=O)[O-])ccc1I ZINC000192301338 655404372 /nfs/dbraw/zinc/40/43/72/655404372.db2.gz YOMZQLJMSPPOSP-WCBMZHEXSA-N 0 0 391.161 2.920 10 0 GFAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[C@H](Oc2cccnc2)C1 ZINC000193594879 655411186 /nfs/dbraw/zinc/41/11/86/655411186.db2.gz HKMTUKLVVUNYPK-DOTOQJQBSA-N 0 0 389.249 2.828 10 0 GFAERN COCCn1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc2oc(Br)cc21 ZINC000223715321 655422503 /nfs/dbraw/zinc/42/25/03/655422503.db2.gz KDLCQTRGGFZKSB-PHIMTYICSA-N 0 0 385.258 2.893 10 0 GFAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCc2cccc(Br)c2C1 ZINC000246268504 655429603 /nfs/dbraw/zinc/42/96/03/655429603.db2.gz AWTMDTHRDCQEFV-ZIAGYGMSSA-N 0 0 375.266 2.716 10 0 GFAERN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000246398372 655429962 /nfs/dbraw/zinc/42/99/62/655429962.db2.gz AEMTYJSDWHJLQA-LPEHRKFASA-N 0 0 376.272 2.597 10 0 GFAERN O=C(/C=C\c1ccc(I)o1)N[C@@H]1CCCC[C@H]1CO ZINC000255580111 655439765 /nfs/dbraw/zinc/43/97/65/655439765.db2.gz DGRVLRDLCVWDPB-BPFCZXJPSA-N 0 0 375.206 2.565 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000263021861 655448596 /nfs/dbraw/zinc/44/85/96/655448596.db2.gz SSISTLWTSFNKEU-ZDUSSCGKSA-N 0 0 395.308 2.553 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc3c(Cl)ccc(Cl)c3n2)CCO1 ZINC000263397709 655451614 /nfs/dbraw/zinc/45/16/14/655451614.db2.gz IBGDCYAPQYZTII-LLVKDONJSA-N 0 0 384.263 2.763 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cccc(Cl)c2Cl)[C@H](O)C1 ZINC000702796087 655521857 /nfs/dbraw/zinc/52/18/57/655521857.db2.gz MPNSTRBLBIDNMV-ZWNOBZJWSA-N 0 0 389.279 2.951 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)[C@H](O)C1 ZINC000705697180 655522152 /nfs/dbraw/zinc/52/21/52/655522152.db2.gz UCUXILIVUFWKFR-QMTHXVAHSA-N 0 0 389.279 2.951 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Br)cc1Br)c1cn(C)nn1 ZINC000720619373 655524525 /nfs/dbraw/zinc/52/45/25/655524525.db2.gz KAEGUEZHYQPGEJ-SSDOTTSWSA-N 0 0 388.063 2.831 10 0 GFAERN C[C@@H](NC(=O)c1cc(Br)sc1Br)c1cn(C)nn1 ZINC000720615865 655524558 /nfs/dbraw/zinc/52/45/58/655524558.db2.gz UXLMSLKBDIZKDC-RXMQYKEDSA-N 0 0 394.092 2.893 10 0 GFAERN O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCC[C@H](n2cncn2)C1 ZINC000900576585 663717267 /nfs/dbraw/zinc/71/72/67/663717267.db2.gz DZQDPJNWVAVCGO-AWEZNQCLSA-N 0 0 388.269 2.928 10 0 GFAERN COc1c(O)cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1O ZINC000002572320 203824426 /nfs/dbraw/zinc/82/44/26/203824426.db2.gz PKCHTMJVPXNXSA-UHFFFAOYSA-N 0 0 390.344 2.611 10 0 GFAERN COc1cccc(CNC(=O)CCS(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000002954178 203976213 /nfs/dbraw/zinc/97/62/13/203976213.db2.gz HJTKLOSUNZFCKY-UHFFFAOYSA-N 0 0 381.881 2.970 10 0 GFAERN C[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000003036758 203982100 /nfs/dbraw/zinc/98/21/00/203982100.db2.gz SQIHOUMNYUKHSF-RDTXWAMCSA-N 0 0 398.434 2.965 10 0 GFAERN C[C@@H](NC(=O)COc1cc(=O)n(C)c2ccccc12)c1ccc2c(c1)OCCO2 ZINC000003959037 204022171 /nfs/dbraw/zinc/02/21/71/204022171.db2.gz JOHVTQCZBJVADE-CQSZACIVSA-N 0 0 394.427 2.566 10 0 GFAERN Cc1c(C(=O)N2CCC(C(N)=O)CC2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000004019765 204023853 /nfs/dbraw/zinc/02/38/53/204023853.db2.gz MPDCHGRXQJTTHM-UHFFFAOYSA-N 0 0 386.452 2.848 10 0 GFAERN CCCCCCC(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C1CC1 ZINC000004796170 204076396 /nfs/dbraw/zinc/07/63/96/204076396.db2.gz KBULVYJPEAUKIL-UHFFFAOYSA-N 0 0 389.496 2.711 10 0 GFAERN Cc1ccccc1C1=NO[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)C)C1 ZINC000006872529 204217433 /nfs/dbraw/zinc/21/74/33/204217433.db2.gz AKYRJQZOYXQNHF-LEWJYISDSA-N 0 0 393.487 2.740 10 0 GFAERN CC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)c1 ZINC000012202532 204381878 /nfs/dbraw/zinc/38/18/78/204381878.db2.gz PMNAWZONGIUTQL-UHFFFAOYSA-N 0 0 386.429 2.734 10 0 GFAERN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C2CC2)S(C)(=O)=O)o1 ZINC000035767856 204996691 /nfs/dbraw/zinc/99/66/91/204996691.db2.gz AVHDMPSVBZGDIR-UHFFFAOYSA-N 0 0 376.478 2.541 10 0 GFAERN COCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2C)C[C@@H]1c1cccc(OC)c1 ZINC000036045700 205002164 /nfs/dbraw/zinc/00/21/64/205002164.db2.gz ZFHBDPFUTREROG-NHCUHLMSSA-N 0 0 396.487 2.622 10 0 GFAERN CC(C)NC(=S)N1C[C@@H](c2ccccc2)[C@H](C(=O)NCc2cccnc2)C1 ZINC000036042448 205002454 /nfs/dbraw/zinc/00/24/54/205002454.db2.gz ICXUCLGWQBWNQM-RBUKOAKNSA-N 0 0 382.533 2.696 10 0 GFAERN CCCNC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036157743 205007707 /nfs/dbraw/zinc/00/77/07/205007707.db2.gz PXMDRVKIKDAYKF-HXUWFJFHSA-N 0 0 399.535 2.740 10 0 GFAERN O=C(NCCc1ccco1)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1 ZINC000035396990 204988046 /nfs/dbraw/zinc/98/80/46/204988046.db2.gz YMRVKWMSIOPJJK-UHFFFAOYSA-N 0 0 392.459 2.676 10 0 GFAERN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)C1 ZINC000036615449 205019062 /nfs/dbraw/zinc/01/90/62/205019062.db2.gz OQSCLHRPLFFMQL-NHYWBVRUSA-N 0 0 382.819 2.774 10 0 GFAERN COC(=O)C[C@H](NC(=O)CCn1cc(C)cn1)c1cccc(Br)c1 ZINC000053420851 205135984 /nfs/dbraw/zinc/13/59/84/205135984.db2.gz CBEWBVRXEFCDNT-HNNXBMFYSA-N 0 0 394.269 2.765 10 0 GFAERN CCN1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000057996613 205162340 /nfs/dbraw/zinc/16/23/40/205162340.db2.gz NPUGHJHZAPCFKV-UHFFFAOYSA-N 0 0 381.455 2.888 10 0 GFAERN Cc1ccnc(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2ncn(C)c3=O)c1 ZINC000064991888 205205819 /nfs/dbraw/zinc/20/58/19/205205819.db2.gz HAGNEDFGWGHZJV-UHFFFAOYSA-N 0 0 394.822 2.728 10 0 GFAERN C[N@@H+]1CCCN(c2ccc(NC(=O)COc3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064589132 205191929 /nfs/dbraw/zinc/19/19/29/205191929.db2.gz ZSUNYVBIGHUREL-UHFFFAOYSA-N 0 0 383.448 2.544 10 0 GFAERN O=C(CCC1=NNC(=O)CC1)N1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000067805434 205260989 /nfs/dbraw/zinc/26/09/89/205260989.db2.gz GDVAEGPMVWZLBM-QGZVFWFLSA-N 0 0 377.448 2.506 10 0 GFAERN CC(C)C(=O)NCCc1csc([C@@H]2CCCN(C(=O)c3cccn3C)C2)n1 ZINC000096373149 205562743 /nfs/dbraw/zinc/56/27/43/205562743.db2.gz GCPPKXPBVIXMPA-OAHLLOKOSA-N 0 0 388.537 2.816 10 0 GFAERN Cc1cc(C)nc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)n1 ZINC000027981034 206024187 /nfs/dbraw/zinc/02/41/87/206024187.db2.gz UZOGTYCKDXUYOW-UHFFFAOYSA-N 0 0 376.214 2.946 10 0 GFAERN COCCCNC(=O)CN(C)c1nc2c(s1)c(C)nn2-c1cccc(C)c1 ZINC000065294131 206106550 /nfs/dbraw/zinc/10/65/50/206106550.db2.gz HUSYNULICAQHFU-UHFFFAOYSA-N 0 0 387.509 2.688 10 0 GFAERN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)C(=O)NC1CCCC1 ZINC000065077589 222098868 /nfs/dbraw/zinc/09/88/68/222098868.db2.gz WFPMOXFNINZJAA-LBPRGKRZSA-N 0 0 396.534 2.590 10 0 GFAERN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)C(=O)NC1CCCC1 ZINC000065077591 222098998 /nfs/dbraw/zinc/09/89/98/222098998.db2.gz WFPMOXFNINZJAA-GFCCVEGCSA-N 0 0 396.534 2.590 10 0 GFAERN CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C ZINC000504397677 526320939 /nfs/dbraw/zinc/32/09/39/526320939.db2.gz VRADRJBKILTRPZ-PQVOTUFGSA-N 0 0 388.552 2.785 10 0 GFAERN CCOC(=O)[C@@H]1C[C@]2(C)C(=O)CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 ZINC000504752228 527889228 /nfs/dbraw/zinc/88/92/28/527889228.db2.gz LKQRJDNQXYKHIT-ZWOKBUDYSA-N 0 0 393.505 2.839 10 0 GFAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1nc(Br)ccc1Br ZINC000189480618 552472425 /nfs/dbraw/zinc/47/24/25/552472425.db2.gz XDCXVJGMMPFBST-WCBMZHEXSA-N 0 0 392.091 2.888 10 0 GFAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCOCC(F)(F)F ZINC000029101983 551125463 /nfs/dbraw/zinc/12/54/63/551125463.db2.gz SIXLZHDHTWNJQR-ZDUSSCGKSA-N 0 0 380.794 2.790 10 0 GFAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)cc1 ZINC000043759592 551142649 /nfs/dbraw/zinc/14/26/49/551142649.db2.gz HNUCSUYBPFACCT-LLVKDONJSA-N 0 0 397.294 2.848 10 0 GFAERN C[C@H](NC(=O)c1cc(-c2cccs2)on1)c1ccc(S(N)(=O)=O)cc1 ZINC000054583967 551169941 /nfs/dbraw/zinc/16/99/41/551169941.db2.gz CWVUIWCNJHOJOX-JTQLQIEISA-N 0 0 377.447 2.542 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000057022173 551179539 /nfs/dbraw/zinc/17/95/39/551179539.db2.gz NSKSYMBSGHIJSA-JTQLQIEISA-N 0 0 391.873 2.922 10 0 GFAERN COC(=O)CSCCNC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000105645470 551199534 /nfs/dbraw/zinc/19/95/34/551199534.db2.gz QCCYGAJVJWGBJI-JTQLQIEISA-N 0 0 375.288 2.716 10 0 GFAERN Cc1cc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1Br ZINC000116370924 551213242 /nfs/dbraw/zinc/21/32/42/551213242.db2.gz OSEFTJATXDFJST-LBPRGKRZSA-N 0 0 384.299 2.669 10 0 GFAERN C[C@@H]1COC[C@@H](C)N1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000120761098 551221797 /nfs/dbraw/zinc/22/17/97/551221797.db2.gz JRVWQLWZPRLDIV-WZRBSPASSA-N 0 0 378.694 2.951 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000120974249 551223944 /nfs/dbraw/zinc/22/39/44/551223944.db2.gz QZVRQZGDZWMIGP-ZIAGYGMSSA-N 0 0 386.235 2.708 10 0 GFAERN Cc1nc(C)c(CCC(=O)N[C@@H](C)c2cccc(Br)c2)c(=O)[nH]1 ZINC000121248396 551230877 /nfs/dbraw/zinc/23/08/77/551230877.db2.gz INLBSSFUAPVQBH-JTQLQIEISA-N 0 0 378.270 2.959 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000121317885 551231745 /nfs/dbraw/zinc/23/17/45/551231745.db2.gz PZQHUVAXUJSDNN-UKRRQHHQSA-N 0 0 383.279 2.873 10 0 GFAERN C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000121705497 551240085 /nfs/dbraw/zinc/24/00/85/551240085.db2.gz QMQQFTJHXBZDFP-LLVKDONJSA-N 0 0 399.314 2.558 10 0 GFAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000125656414 551322496 /nfs/dbraw/zinc/32/24/96/551322496.db2.gz VUHHXZWMSCDWFC-LLVKDONJSA-N 0 0 378.629 2.984 10 0 GFAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000126281077 551327470 /nfs/dbraw/zinc/32/74/70/551327470.db2.gz VFTIXJNKJCIBAH-AWEZNQCLSA-N 0 0 398.301 2.697 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)Cc2ccccc2I)cn1 ZINC000128819309 551352817 /nfs/dbraw/zinc/35/28/17/551352817.db2.gz HBSNKAVXQDIPQZ-OAHLLOKOSA-N 0 0 395.244 2.931 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C)c1Br ZINC000128980175 551353953 /nfs/dbraw/zinc/35/39/53/551353953.db2.gz FFJXDDCCZYQMAR-LBPRGKRZSA-N 0 0 379.258 2.760 10 0 GFAERN CCOc1ccc(S(=O)(=O)N2CCS[C@@H](C)C2)cc1Br ZINC000130030521 551361489 /nfs/dbraw/zinc/36/14/89/551361489.db2.gz QUQKOFQQQONPIY-JTQLQIEISA-N 0 0 380.329 2.974 10 0 GFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000130442186 551364835 /nfs/dbraw/zinc/36/48/35/551364835.db2.gz QIXNXYDNCIUKCT-LLVKDONJSA-N 0 0 379.258 2.734 10 0 GFAERN CC(C)c1csc([C@@H]2CCCN(C(=O)N[C@H](C)CCS(C)(=O)=O)C2)n1 ZINC000135310295 551387088 /nfs/dbraw/zinc/38/70/88/551387088.db2.gz MCFZTLBNLUPYCH-ZIAGYGMSSA-N 0 0 387.571 2.979 10 0 GFAERN CCCCOCCN(C(=O)[C@@H]1CNC(=O)C1)c1ccc(Br)cc1 ZINC000135648463 551388459 /nfs/dbraw/zinc/38/84/59/551388459.db2.gz NVVKJRWCKRKANN-ZDUSSCGKSA-N 0 0 383.286 2.735 10 0 GFAERN Cc1nc(CC(C)C)c(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000151157344 551408371 /nfs/dbraw/zinc/40/83/71/551408371.db2.gz HYVBFSLCXDEHIJ-LLVKDONJSA-N 0 0 381.523 2.788 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)CC2 ZINC000151245011 551409766 /nfs/dbraw/zinc/40/97/66/551409766.db2.gz MHTPPOAKYGIUPH-ZDUSSCGKSA-N 0 0 389.308 2.582 10 0 GFAERN C[C@@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(Cl)c1 ZINC000152758815 551439224 /nfs/dbraw/zinc/43/92/24/551439224.db2.gz DBBYIHHCZUDUOT-LLVKDONJSA-N 0 0 391.896 2.606 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)Cc2ccc(Br)cc2C)n1 ZINC000152790877 551440218 /nfs/dbraw/zinc/44/02/18/551440218.db2.gz QNOKJRZUWAODAH-CQSZACIVSA-N 0 0 380.242 2.592 10 0 GFAERN O=C(c1ccc(Br)c(O)c1)N1CCC(Nc2cccnn2)CC1 ZINC000152958318 551443917 /nfs/dbraw/zinc/44/39/17/551443917.db2.gz WIFDYQRKKOBANL-UHFFFAOYSA-N 0 0 377.242 2.661 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Cc3cc(Cl)ccc3Br)CCO2)[nH]1 ZINC000153223437 551448673 /nfs/dbraw/zinc/44/86/73/551448673.db2.gz ZWZBTVWVCYKOQO-ZDUSSCGKSA-N 0 0 399.676 2.672 10 0 GFAERN C[C@@H]1CN([C@@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000153724122 551459122 /nfs/dbraw/zinc/45/91/22/551459122.db2.gz QQTRNPQLKSQYHC-HIFRSBDPSA-N 0 0 380.539 2.508 10 0 GFAERN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000153962835 551464218 /nfs/dbraw/zinc/46/42/18/551464218.db2.gz VKGICDMDTNPMPB-LBPRGKRZSA-N 0 0 385.482 2.831 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)Nc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000154149509 551468869 /nfs/dbraw/zinc/46/88/69/551468869.db2.gz OJAJQCZVMATAOU-GFCCVEGCSA-N 0 0 398.236 2.874 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1CCCO1 ZINC000154570829 551477871 /nfs/dbraw/zinc/47/78/71/551477871.db2.gz IMXFQBOPKLXTQX-UFBFGSQYSA-N 0 0 375.650 2.725 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000154559397 551478059 /nfs/dbraw/zinc/47/80/59/551478059.db2.gz HQRMVYFPTXUUJM-LLVKDONJSA-N 0 0 377.238 2.966 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C[C@@H](C)O1 ZINC000154638941 551480050 /nfs/dbraw/zinc/48/00/50/551480050.db2.gz XPCBBSHTQYMTJI-RKDXNWHRSA-N 0 0 375.650 2.677 10 0 GFAERN O=C(CNC(=O)c1ccc(Br)cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000154935446 551486378 /nfs/dbraw/zinc/48/63/78/551486378.db2.gz JMNLLIRCKJNQFV-OAHLLOKOSA-N 0 0 391.269 2.656 10 0 GFAERN C[C@@H](C(=O)NC[C@@H]1CCCS1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000155071533 551490771 /nfs/dbraw/zinc/49/07/71/551490771.db2.gz ZTEVQWYGLFSSDL-IUCAKERBSA-N 0 0 387.288 2.990 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000155178615 551493484 /nfs/dbraw/zinc/49/34/84/551493484.db2.gz SCQGRNYNOMRIRA-SNVBAGLBSA-N 0 0 390.328 2.731 10 0 GFAERN COCCN1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)C[C@@H]1C ZINC000155203975 551494293 /nfs/dbraw/zinc/49/42/93/551494293.db2.gz MVSOLAWPWZHNJO-ZDUSSCGKSA-N 0 0 394.313 2.652 10 0 GFAERN O=S(=O)(c1c(F)cccc1F)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158536845 551553204 /nfs/dbraw/zinc/55/32/04/551553204.db2.gz AXSSUWGRVQSRGR-MEBBXXQBSA-N 0 0 375.343 2.740 10 0 GFAERN C[C@@H]1CN(C(=O)c2ccnc(Cl)c2I)C[C@@H](C)O1 ZINC000158831628 551557469 /nfs/dbraw/zinc/55/74/69/551557469.db2.gz BTGWUVDPPZCVTJ-HTQZYQBOSA-N 0 0 380.613 2.589 10 0 GFAERN COCCc1noc(CN(C)C(=O)N[C@H](C)c2ccccc2Br)n1 ZINC000159150080 551561541 /nfs/dbraw/zinc/56/15/41/551561541.db2.gz TYQXJEQSAKGUFH-LLVKDONJSA-N 0 0 397.273 2.924 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)c3ccc(Br)cc3)CCO2)c1 ZINC000162623680 551610346 /nfs/dbraw/zinc/61/03/46/551610346.db2.gz BAABTEBDUVZYDU-YOEHRIQHSA-N 0 0 392.297 2.985 10 0 GFAERN O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000163336873 551618962 /nfs/dbraw/zinc/61/89/62/551618962.db2.gz HRRJPULWZUSBMP-CABZTGNLSA-N 0 0 389.677 2.708 10 0 GFAERN Cc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)c1cccc(Br)c1)CC2 ZINC000171037459 551644844 /nfs/dbraw/zinc/64/48/44/551644844.db2.gz BEYAOIHSTAIEBO-QMTHXVAHSA-N 0 0 378.274 2.724 10 0 GFAERN C[C@H](NC(=O)Nc1ccc2scnc2c1)c1ccc(S(N)(=O)=O)cc1 ZINC000171374732 551653666 /nfs/dbraw/zinc/65/36/66/551653666.db2.gz QAJHRJIHTBWNKR-JTQLQIEISA-N 0 0 376.463 2.826 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CCS1 ZINC000171471948 551656246 /nfs/dbraw/zinc/65/62/46/551656246.db2.gz QLQWLLLUWHVNKX-SECBINFHSA-N 0 0 380.363 2.669 10 0 GFAERN O=C(CN1CC[C@@H](CNc2ccccn2)C1)Nc1ccc(Br)cn1 ZINC000171643888 551659901 /nfs/dbraw/zinc/65/99/01/551659901.db2.gz QUOOVVBREPBYJL-ZDUSSCGKSA-N 0 0 390.285 2.612 10 0 GFAERN O=C(CN1CCC[C@H](n2cncn2)C1)Nc1ccc(Br)cc1Cl ZINC000171701593 551661358 /nfs/dbraw/zinc/66/13/58/551661358.db2.gz DFKPXVSJVHMMRT-LBPRGKRZSA-N 0 0 398.692 2.970 10 0 GFAERN CSc1ncc(Cl)c(C(=O)N2CCCN(Cc3csc(C)n3)CC2)n1 ZINC000171815805 551664653 /nfs/dbraw/zinc/66/46/53/551664653.db2.gz VHBITINMIRRLFJ-UHFFFAOYSA-N 0 0 397.957 2.965 10 0 GFAERN O=C(c1n[nH]c2ccc(Br)cc21)N1CCO[C@@H](c2nccs2)C1 ZINC000171854622 551665010 /nfs/dbraw/zinc/66/50/10/551665010.db2.gz HQZBCNZVGKRRGJ-GFCCVEGCSA-N 0 0 393.266 2.996 10 0 GFAERN CNC(=O)c1cc(NC(=O)N2CCO[C@H](c3nccs3)C2)ccc1Cl ZINC000171890690 551666165 /nfs/dbraw/zinc/66/61/65/551666165.db2.gz CTVLPKUVDCLLEU-ZDUSSCGKSA-N 0 0 380.857 2.762 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)NCCOc3cccc(Br)c3)C2)cn1 ZINC000172114454 551671079 /nfs/dbraw/zinc/67/10/79/551671079.db2.gz PDXQAEZNHAARPU-ZDUSSCGKSA-N 0 0 393.285 2.761 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)CCN1CCOC ZINC000172229237 551673873 /nfs/dbraw/zinc/67/38/73/551673873.db2.gz UIDDBXDHBKTZMQ-GFCCVEGCSA-N 0 0 382.555 2.607 10 0 GFAERN COc1ccc([C@H](C)NC(=O)c2c[nH]c(=O)c(Br)c2)cc1OC ZINC000173056631 551693825 /nfs/dbraw/zinc/69/38/25/551693825.db2.gz YHRZUNJDYRGZMS-VIFPVBQESA-N 0 0 381.226 2.646 10 0 GFAERN C[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)C[C@@H]1N1CCOCC1 ZINC000173843163 552093515 /nfs/dbraw/zinc/09/35/15/552093515.db2.gz AILDLDYSXNLBFE-HIFRSBDPSA-N 0 0 377.535 2.593 10 0 GFAERN CCc1nnc([C@H]2CN(Cc3ccc(OC)c(Br)c3)CCO2)[nH]1 ZINC000174100613 552098876 /nfs/dbraw/zinc/09/88/76/552098876.db2.gz ULVXIEXSRPRVLO-CQSZACIVSA-N 0 0 381.274 2.712 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000175859182 552130092 /nfs/dbraw/zinc/13/00/92/552130092.db2.gz FYVYQLKWNBHIOG-ZIAGYGMSSA-N 0 0 384.267 2.761 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000175872253 552130911 /nfs/dbraw/zinc/13/09/11/552130911.db2.gz BSJCRIZNLPOXRH-CHWSQXEVSA-N 0 0 384.267 2.761 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000175868634 552131085 /nfs/dbraw/zinc/13/10/85/552131085.db2.gz MGRAPODXEAWKBS-KGLIPLIRSA-N 0 0 384.267 2.761 10 0 GFAERN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000175950962 552132531 /nfs/dbraw/zinc/13/25/31/552132531.db2.gz WAPIRWALFBIPLR-TZMCWYRMSA-N 0 0 379.913 2.816 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000177718711 552157872 /nfs/dbraw/zinc/15/78/72/552157872.db2.gz XJSFRHIKXRODKA-QMTHXVAHSA-N 0 0 379.258 2.768 10 0 GFAERN COc1c(Br)c(C)sc1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000177726035 552157909 /nfs/dbraw/zinc/15/79/09/552157909.db2.gz QLTRVNTXLPPWLS-VIFPVBQESA-N 0 0 385.287 2.992 10 0 GFAERN C[C@@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)c1ccccc1Br ZINC000178447284 552170683 /nfs/dbraw/zinc/17/06/83/552170683.db2.gz HRHBXRJDYODTDL-LLVKDONJSA-N 0 0 389.315 2.634 10 0 GFAERN CCCNC(=O)CN(C)C(=O)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179539214 552195493 /nfs/dbraw/zinc/19/54/93/552195493.db2.gz FOVWVGTXGXEHLO-JTQLQIEISA-N 0 0 378.275 2.768 10 0 GFAERN C[C@@H](NCC(=O)NCC(=O)N1CCCC1)c1c(Cl)ccc(F)c1Cl ZINC000179540049 552196192 /nfs/dbraw/zinc/19/61/92/552196192.db2.gz OWXUXNMZCRXGLD-SNVBAGLBSA-N 0 0 376.259 2.522 10 0 GFAERN C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181024305 552243191 /nfs/dbraw/zinc/24/31/91/552243191.db2.gz YRRFIKYRMSZLQX-LBPRGKRZSA-N 0 0 383.901 2.762 10 0 GFAERN O=C(Nc1ccc(Cl)c(OC(F)F)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000181892849 552270037 /nfs/dbraw/zinc/27/00/37/552270037.db2.gz VLIPYFLXFZWRHD-JOYOIKCWSA-N 0 0 376.787 2.547 10 0 GFAERN Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000182066806 552274390 /nfs/dbraw/zinc/27/43/90/552274390.db2.gz ARYFTVBAJAJKRC-CQSZACIVSA-N 0 0 377.286 2.830 10 0 GFAERN CCc1nc(NC(=O)CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C ZINC000182195629 552278495 /nfs/dbraw/zinc/27/84/95/552278495.db2.gz BOHMAEJNRZHGAQ-NSHDSACASA-N 0 0 381.523 2.707 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1c(Br)cc(F)cc1Br ZINC000183036860 552299259 /nfs/dbraw/zinc/29/92/59/552299259.db2.gz VGGHXRQZKHPFOF-SSDLBLMSSA-N 0 0 394.038 2.814 10 0 GFAERN O=C(NC[C@@H]1CSCCS1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183260831 552304385 /nfs/dbraw/zinc/30/43/85/552304385.db2.gz SONXAICMUILIND-ZIAGYGMSSA-N 0 0 381.571 2.700 10 0 GFAERN COc1cccc(Cl)c1CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000184666943 552341495 /nfs/dbraw/zinc/34/14/95/552341495.db2.gz NQTBGEWVRPZSDP-OAHLLOKOSA-N 0 0 379.865 2.926 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000184713163 552342891 /nfs/dbraw/zinc/34/28/91/552342891.db2.gz LVMHHQIQNPXFJJ-KGLIPLIRSA-N 0 0 384.318 2.608 10 0 GFAERN CS(=O)(=O)CCCCCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000184930182 552348147 /nfs/dbraw/zinc/34/81/47/552348147.db2.gz ZEOIWXMWNXOGBM-AWEZNQCLSA-N 0 0 380.432 2.674 10 0 GFAERN Cc1cc(Br)c2c(c1)CN(C(=O)NC[C@@H](C)N1CCOCC1)CC2 ZINC000186165761 552380528 /nfs/dbraw/zinc/38/05/28/552380528.db2.gz YBMAKMFSGWULPX-CQSZACIVSA-N 0 0 396.329 2.546 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000186396415 552387051 /nfs/dbraw/zinc/38/70/51/552387051.db2.gz ZRTWVHBKKSUSPY-QGZVFWFLSA-N 0 0 394.269 2.950 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186623455 552392560 /nfs/dbraw/zinc/39/25/60/552392560.db2.gz XLYSGGOKAJLBQD-LLVKDONJSA-N 0 0 389.279 2.768 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2cccc(Br)c2C)CC1 ZINC000186640417 552392845 /nfs/dbraw/zinc/39/28/45/552392845.db2.gz DIOQDURUVHPEGR-UHFFFAOYSA-N 0 0 383.286 2.769 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000186653590 552393469 /nfs/dbraw/zinc/39/34/69/552393469.db2.gz SBBOKDHDHYJKGV-MRXNPFEDSA-N 0 0 384.929 2.971 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)nc2Br)C12CCOCC2 ZINC000187146798 552407760 /nfs/dbraw/zinc/40/77/60/552407760.db2.gz NWEBCCZWMKJKGK-ZIAGYGMSSA-N 0 0 383.286 2.857 10 0 GFAERN Cc1ccc(Br)cc1CNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000187674704 552421678 /nfs/dbraw/zinc/42/16/78/552421678.db2.gz OQRKVPJXFOCIEZ-YOEHRIQHSA-N 0 0 396.329 2.620 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(F)cc1I ZINC000187712467 552422714 /nfs/dbraw/zinc/42/27/14/552422714.db2.gz CSYADTWYPQODLH-CQSZACIVSA-N 0 0 391.180 2.598 10 0 GFAERN O=C(NC1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1)C1CC1 ZINC000187926927 552428486 /nfs/dbraw/zinc/42/84/86/552428486.db2.gz UBEQCGAXHBYVKT-UHFFFAOYSA-N 0 0 383.684 2.546 10 0 GFAERN Cc1ncc([C@H](C)Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)s1 ZINC000188085042 552433981 /nfs/dbraw/zinc/43/39/81/552433981.db2.gz IHFXHKVGBVCKQU-LBPRGKRZSA-N 0 0 381.523 2.770 10 0 GFAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000188088151 552434574 /nfs/dbraw/zinc/43/45/74/552434574.db2.gz DSHMZWLLUMRLPQ-HNNXBMFYSA-N 0 0 391.269 2.793 10 0 GFAERN Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1Br ZINC000188117750 552435763 /nfs/dbraw/zinc/43/57/63/552435763.db2.gz UAXIAXWTZXGLDK-TZMCWYRMSA-N 0 0 383.286 2.672 10 0 GFAERN C[C@@H]1CN([C@@H](CNC(=O)c2cn3ccnc3s2)c2cccs2)CCO1 ZINC000188484925 552446297 /nfs/dbraw/zinc/44/62/97/552446297.db2.gz WQRCJOUEMQDIRS-OLZOCXBDSA-N 0 0 376.507 2.649 10 0 GFAERN CCCCOc1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1Cl ZINC000188725718 552453525 /nfs/dbraw/zinc/45/35/25/552453525.db2.gz IXSYDDMRJWEPEY-ZDUSSCGKSA-N 0 0 388.917 2.847 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(Br)ncc1Cl)CC2 ZINC000188919236 552458612 /nfs/dbraw/zinc/45/86/12/552458612.db2.gz NRYBQUWFRJJCEO-SECBINFHSA-N 0 0 398.692 2.957 10 0 GFAERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)c2ccc(Br)cc2n1 ZINC000189246732 552466364 /nfs/dbraw/zinc/46/63/64/552466364.db2.gz DESBGESITPVPDA-LLVKDONJSA-N 0 0 376.254 2.656 10 0 GFAERN C[C@H](CN(C)C(=O)NC[C@@H]1CN(C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366124 552469465 /nfs/dbraw/zinc/46/94/65/552469465.db2.gz RZMWRBWCBRUNEX-TZMCWYRMSA-N 0 0 390.311 2.733 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Nc3cccc(Br)n3)CCO2)cn1 ZINC000190340047 552493375 /nfs/dbraw/zinc/49/33/75/552493375.db2.gz GAIBIEVASXLQDV-GFCCVEGCSA-N 0 0 380.246 2.666 10 0 GFAERN CC(=O)NC1CN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)C1 ZINC000190488300 552498136 /nfs/dbraw/zinc/49/81/36/552498136.db2.gz FTWWMJXOYSXBAE-UHFFFAOYSA-N 0 0 381.263 2.507 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000190692483 552506632 /nfs/dbraw/zinc/50/66/32/552506632.db2.gz UMTCFRCLDALQFL-LLVKDONJSA-N 0 0 392.244 2.648 10 0 GFAERN O=C(Cc1ccc(I)cc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000190963674 552515152 /nfs/dbraw/zinc/51/51/52/552515152.db2.gz HZECBOMROYBEKG-OAHLLOKOSA-N 0 0 395.244 2.721 10 0 GFAERN O=C1CCCN1C[C@@H](O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191466608 552529383 /nfs/dbraw/zinc/52/93/83/552529383.db2.gz CRVAZNZEUHMZTN-KRWDZBQOSA-N 0 0 381.314 2.644 10 0 GFAERN C[C@@H]1OCCC[C@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000191567201 552531941 /nfs/dbraw/zinc/53/19/41/552531941.db2.gz XVQPKYDHNYNPRI-DZGCQCFKSA-N 0 0 397.313 2.729 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)C1(c3ccccc3Br)CC1)CC2 ZINC000191672752 552534649 /nfs/dbraw/zinc/53/46/49/552534649.db2.gz BSWXSODXEDOFHX-GFCCVEGCSA-N 0 0 389.297 2.766 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000191731752 552536562 /nfs/dbraw/zinc/53/65/62/552536562.db2.gz CFEGXUHKSZAPJD-UHFFFAOYSA-N 0 0 397.313 2.734 10 0 GFAERN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000192045705 552547413 /nfs/dbraw/zinc/54/74/13/552547413.db2.gz LXEILBFLGKWKBF-KGLIPLIRSA-N 0 0 385.251 2.708 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@@H]1N1CCOCC1 ZINC000192138865 552553052 /nfs/dbraw/zinc/55/30/52/552553052.db2.gz CNNBTVHPLLNCPU-BMIGLBTASA-N 0 0 389.240 2.520 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192230626 552557106 /nfs/dbraw/zinc/55/71/06/552557106.db2.gz OWISHTDJRIZLSB-CYBMUJFWSA-N 0 0 396.690 2.819 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Nc3ccc(Br)nc3)CCO2)cn1 ZINC000192333774 552560445 /nfs/dbraw/zinc/56/04/45/552560445.db2.gz VTXRGEZRQRFBAZ-CYBMUJFWSA-N 0 0 380.246 2.666 10 0 GFAERN CCOC(=O)[C@@H](NS(=O)(=O)c1cn(C(C)C)cn1)c1ccc(Cl)cc1 ZINC000192989614 552979724 /nfs/dbraw/zinc/97/97/24/552979724.db2.gz NAHSAJOZLCQFFE-HNNXBMFYSA-N 0 0 385.873 2.700 10 0 GFAERN CCCCOC[C@H](O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000193362329 552990997 /nfs/dbraw/zinc/99/09/97/552990997.db2.gz CFCVPDUTMSRDPW-SJKOYZFVSA-N 0 0 389.279 2.938 10 0 GFAERN C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193378761 552991554 /nfs/dbraw/zinc/99/15/54/552991554.db2.gz KADUHDFKCLMTOP-LBPRGKRZSA-N 0 0 392.253 2.504 10 0 GFAERN COc1cc(C)c(S(=O)(=O)N2CCO[C@@H](c3nc(C)cs3)C2)cc1C ZINC000193949986 553007620 /nfs/dbraw/zinc/00/76/20/553007620.db2.gz NDNKRUAJTTURQF-OAHLLOKOSA-N 0 0 382.507 2.839 10 0 GFAERN CCn1c(C)nnc1C[S@@](=O)Cc1cc2c(cc1Br)OCO2 ZINC000194127635 553012028 /nfs/dbraw/zinc/01/20/28/553012028.db2.gz DHERFHUMEQTKQC-QFIPXVFZSA-N 0 0 386.271 2.547 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)ncc1Br ZINC000194147938 553012957 /nfs/dbraw/zinc/01/29/57/553012957.db2.gz JGLKLUITMPMHCJ-ZDUSSCGKSA-N 0 0 392.257 2.568 10 0 GFAERN C[C@H]1CN(C(=O)COc2cccc(I)c2)CCS1 ZINC000194570193 553024177 /nfs/dbraw/zinc/02/41/77/553024177.db2.gz QIZGHNAFCOUZSM-JTQLQIEISA-N 0 0 377.247 2.634 10 0 GFAERN CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)n1 ZINC000194796160 553030216 /nfs/dbraw/zinc/03/02/16/553030216.db2.gz AAUMBEHDZHIGFB-CYBMUJFWSA-N 0 0 379.869 2.902 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)COc1ccc(Br)cc1)CC2 ZINC000195265388 553043246 /nfs/dbraw/zinc/04/32/46/553043246.db2.gz UMAOFKYLAOADBF-ZDUSSCGKSA-N 0 0 393.285 2.674 10 0 GFAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2COc3ccccc32)c1 ZINC000195483005 553050262 /nfs/dbraw/zinc/05/02/62/553050262.db2.gz AGWLLWQRUHIPCU-AWEZNQCLSA-N 0 0 391.221 2.646 10 0 GFAERN O=S(=O)(c1ccc(F)cc1Br)N1CCO[C@@H]2CCCC[C@H]21 ZINC000226936261 553062024 /nfs/dbraw/zinc/06/20/24/553062024.db2.gz QCJMDHHCFCATNZ-CHWSQXEVSA-N 0 0 378.263 2.920 10 0 GFAERN O=C(N[C@@H]1CCC[C@H](O)C1)c1ccc(I)c(Cl)c1 ZINC000226777660 553062177 /nfs/dbraw/zinc/06/21/77/553062177.db2.gz SDBKPAFHZJMORI-ZJUUUORDSA-N 0 0 379.625 2.978 10 0 GFAERN C[C@H](NS(=O)(=O)c1c(Cl)cnn1C)c1cccc(Br)c1 ZINC000228059903 553063184 /nfs/dbraw/zinc/06/31/84/553063184.db2.gz ABCNTHJHQVMIJL-QMMMGPOBSA-N 0 0 378.679 2.876 10 0 GFAERN O=C(c1ccc(I)c(O)c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000230889352 553065514 /nfs/dbraw/zinc/06/55/14/553065514.db2.gz DGLQBEKQGDVFQT-OCCSQVGLSA-N 0 0 387.217 2.780 10 0 GFAERN O=C(c1ccccc1I)N1CC[C@H](Oc2ccccn2)C1 ZINC000238873484 553086957 /nfs/dbraw/zinc/08/69/57/553086957.db2.gz NLRWDKWKFOQCNE-LBPRGKRZSA-N 0 0 394.212 2.980 10 0 GFAERN C[C@H](NC(=O)CN1CCC[C@@H](n2cncn2)C1)c1ccc(Br)cc1 ZINC000245818680 553097948 /nfs/dbraw/zinc/09/79/48/553097948.db2.gz KVMLQVOBQDKNAE-XJKSGUPXSA-N 0 0 392.301 2.555 10 0 GFAERN COC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000245862353 553098191 /nfs/dbraw/zinc/09/81/91/553098191.db2.gz FOJADOBSLFHPRG-CJNGLKHVSA-N 0 0 393.285 2.667 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000246316334 553105562 /nfs/dbraw/zinc/10/55/62/553105562.db2.gz ZQDRQGKSCSUPQQ-RISCZKNCSA-N 0 0 376.881 2.861 10 0 GFAERN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246282189 553105628 /nfs/dbraw/zinc/10/56/28/553105628.db2.gz ALUCHTHCRBKAMF-DVOMOZLQSA-N 0 0 386.323 2.973 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@H]1C ZINC000246765311 553112750 /nfs/dbraw/zinc/11/27/50/553112750.db2.gz PAUGQNOYNFJVRC-MNOVXSKESA-N 0 0 375.694 2.630 10 0 GFAERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246836649 553114155 /nfs/dbraw/zinc/11/41/55/553114155.db2.gz DEZWYISSUBIRHI-DCGLDWPTSA-N 0 0 387.307 2.940 10 0 GFAERN COCCN1CCN([C@H](C)C(=O)Nc2ccc(C)cc2Br)C[C@@H]1C ZINC000247815166 553126013 /nfs/dbraw/zinc/12/60/13/553126013.db2.gz WCQHVKCAPMCMOS-LSDHHAIUSA-N 0 0 398.345 2.737 10 0 GFAERN NC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248610544 553131976 /nfs/dbraw/zinc/13/19/76/553131976.db2.gz QFHWZUYQSPWTGM-NJZAAPMLSA-N 0 0 386.279 2.730 10 0 GFAERN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000248837700 553135489 /nfs/dbraw/zinc/13/54/89/553135489.db2.gz KJPZFPFABDUZSA-CZUORRHYSA-N 0 0 384.263 2.805 10 0 GFAERN O=C([C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)N1CC[C@@H](CO)[C@H](O)C1 ZINC000249657695 553145718 /nfs/dbraw/zinc/14/57/18/553145718.db2.gz ZZNOQCGUQDCFKK-ASTDHERZSA-N 0 0 388.291 2.663 10 0 GFAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1 ZINC000251637521 553148304 /nfs/dbraw/zinc/14/83/04/553148304.db2.gz HLHZHANNICSTTO-LDYWLHGHSA-N 0 0 384.567 2.545 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2cc(Br)cs2)C1 ZINC000262683369 553173850 /nfs/dbraw/zinc/17/38/50/553173850.db2.gz BKGJQXUCCAANPS-UHFFFAOYSA-N 0 0 387.299 2.568 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000262757043 553175166 /nfs/dbraw/zinc/17/51/66/553175166.db2.gz ZBGQJQQURPBPAX-WHXUTIOJSA-N 0 0 389.315 2.668 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000263554554 553189579 /nfs/dbraw/zinc/18/95/79/553189579.db2.gz NJWLUDWDVCKPSZ-UHFFFAOYSA-N 0 0 378.270 2.983 10 0 GFAERN CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000301337135 563400601 /nfs/dbraw/zinc/40/06/01/563400601.db2.gz GVOLJSQFHCGXRZ-MNOVXSKESA-N 0 0 385.429 2.748 10 0 GFAERN Cc1ccc([C@@](C)(O)CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)o1 ZINC000301409897 563402649 /nfs/dbraw/zinc/40/26/49/563402649.db2.gz JMKOANPULISHFT-AWEZNQCLSA-N 0 0 378.372 2.574 10 0 GFAERN CCOC(=O)N1CCC[C@@H]([C@@H](C)Nc2ncc(Br)c(NC)n2)C1 ZINC000302538160 563426119 /nfs/dbraw/zinc/42/61/19/563426119.db2.gz NCLPKPTVCHYOFY-GHMZBOCLSA-N 0 0 386.294 2.950 10 0 GFAERN FC(F)(F)c1cnc(N2CCn3ccnc3C2)c(I)c1 ZINC000601110379 565767064 /nfs/dbraw/zinc/76/70/64/565767064.db2.gz BYTVJNIMXDWVPZ-UHFFFAOYSA-N 0 0 394.138 2.922 10 0 GFAERN CCOC1(c2nc([C@H]3CCCO3)no2)CCN(c2ncncc2Cl)CC1 ZINC000583615922 570801152 /nfs/dbraw/zinc/80/11/52/570801152.db2.gz QCGKIRDMJXEEIR-CYBMUJFWSA-N 0 0 379.848 2.897 10 0 GFAERN Cc1oc(CNC(=O)COc2ccc(C)cc2)nc1C(=O)N1CCC(C)CC1 ZINC000065293768 570963263 /nfs/dbraw/zinc/96/32/63/570963263.db2.gz DQSQGHKGJNXUEE-UHFFFAOYSA-N 0 0 385.464 2.859 10 0 GFAERN CC(=O)N(Cc1cc(C)[nH]c1C)C[C@@H]1CN(C(=O)Nc2ccsc2)CCO1 ZINC000252538371 570991966 /nfs/dbraw/zinc/99/19/66/570991966.db2.gz MZJRMMBFHZRIKF-SFHVURJKSA-N 0 0 390.509 2.974 10 0 GFAERN C[C@@H](NC(=O)NCC(=O)NCc1ccco1)c1ccccc1Br ZINC000054092597 654756053 /nfs/dbraw/zinc/75/60/53/654756053.db2.gz ZDVIHRMBHUOLNI-LLVKDONJSA-N 0 0 380.242 2.719 10 0 GFAERN CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cs1 ZINC000125346112 654791604 /nfs/dbraw/zinc/79/16/04/654791604.db2.gz MXRRLXNDSLJMDP-HOTGVXAUSA-N 0 0 379.503 2.880 10 0 GFAERN CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000056511951 654796586 /nfs/dbraw/zinc/79/65/86/654796586.db2.gz MMVSCKZDWFOFSU-CYBMUJFWSA-N 0 0 389.323 2.927 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC000126434567 654814260 /nfs/dbraw/zinc/81/42/60/654814260.db2.gz NXYPUVWLKJBDQE-UONOGXRCSA-N 0 0 379.551 2.692 10 0 GFAERN C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127385157 654828424 /nfs/dbraw/zinc/82/84/24/654828424.db2.gz OIOZQWYQKXIMCY-KGLIPLIRSA-N 0 0 393.285 2.747 10 0 GFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000130442395 654888203 /nfs/dbraw/zinc/88/82/03/654888203.db2.gz QIXNXYDNCIUKCT-NSHDSACASA-N 0 0 379.258 2.734 10 0 GFAERN COCCN1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)C[C@@H]1C ZINC000130615951 654890545 /nfs/dbraw/zinc/89/05/45/654890545.db2.gz YOJSPCMGQCEXGB-UONOGXRCSA-N 0 0 379.551 2.956 10 0 GFAERN CCn1cnnc1C1CCN(C(=O)c2ccc(C)nc2Br)CC1 ZINC000131897665 654921155 /nfs/dbraw/zinc/92/11/55/654921155.db2.gz NNEJLBJOATWTAR-UHFFFAOYSA-N 0 0 378.274 2.784 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1ccc(F)c(Br)c1)CC2 ZINC000134005577 654980169 /nfs/dbraw/zinc/98/01/69/654980169.db2.gz GCPPXMKDOJUFJR-GFCCVEGCSA-N 0 0 395.276 2.977 10 0 GFAERN CC(C)[C@H](NC(=O)NC[C@@H](C)Sc1ccc(Br)cc1)C(N)=O ZINC000135160056 655010997 /nfs/dbraw/zinc/01/09/97/655010997.db2.gz SLAQCHIFJPAIQJ-MFKMUULPSA-N 0 0 388.331 2.739 10 0 GFAERN CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)cc1F ZINC000093906806 655022203 /nfs/dbraw/zinc/02/22/03/655022203.db2.gz QBTMSAAVDUGYTG-LLVKDONJSA-N 0 0 390.458 2.528 10 0 GFAERN C[C@H](NC(=O)CCCS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1 ZINC000097680449 655037328 /nfs/dbraw/zinc/03/73/28/655037328.db2.gz PXWXAIOJXMUUCX-LBPRGKRZSA-N 0 0 376.881 2.862 10 0 GFAERN C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000097699229 655037677 /nfs/dbraw/zinc/03/76/77/655037677.db2.gz HMNJGARHORMMCA-ZJUUUORDSA-N 0 0 397.299 2.981 10 0 GFAERN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000101528802 655042580 /nfs/dbraw/zinc/04/25/80/655042580.db2.gz AJOYJDCMXNYAOU-SECBINFHSA-N 0 0 394.225 2.758 10 0 GFAERN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1Br)[C@@H](C)N1CCOCC1 ZINC000105081895 655089030 /nfs/dbraw/zinc/08/90/30/655089030.db2.gz QQQUCEVWADKKPH-HZSPNIEDSA-N 0 0 384.318 2.919 10 0 GFAERN CCCC(=O)NCC(=O)O[C@H](C)c1ccc(I)cc1 ZINC000105770364 655098933 /nfs/dbraw/zinc/09/89/33/655098933.db2.gz QNRUERWHWFLMHK-SNVBAGLBSA-N 0 0 375.206 2.812 10 0 GFAERN CCOCCN1CCN(CC(=O)Nc2ccc(C)cc2Br)C[C@@H]1C ZINC000106112368 655102971 /nfs/dbraw/zinc/10/29/71/655102971.db2.gz CWUQAIGKKOIQNV-HNNXBMFYSA-N 0 0 398.345 2.739 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)OC[C@H]1Cc2cc(Br)ccc2O1 ZINC000160420683 655121680 /nfs/dbraw/zinc/12/16/80/655121680.db2.gz AJGBMKZNYYJPBH-ZWNOBZJWSA-N 0 0 394.221 2.707 10 0 GFAERN Cc1cnn([C@H]2CCCN(C(=O)c3sccc3S(=O)(=O)C(F)F)C2)c1 ZINC000108278633 655130635 /nfs/dbraw/zinc/13/06/35/655130635.db2.gz GAOVGPVWXSKLHW-NSHDSACASA-N 0 0 389.449 2.727 10 0 GFAERN Cc1nc(C)c(CCNC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000108434298 655132629 /nfs/dbraw/zinc/13/26/29/655132629.db2.gz DGHMPGVAKIESPH-NSHDSACASA-N 0 0 381.523 2.766 10 0 GFAERN CN(C)c1nn(CN2CCCC[C@H]2c2nnc3n2CCCC3)c(=S)s1 ZINC000108844671 655138632 /nfs/dbraw/zinc/13/86/32/655138632.db2.gz WQIVNMVJCNYZKR-LBPRGKRZSA-N 0 0 379.559 2.853 10 0 GFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ncnc2c1c(Br)nn2C ZINC000108951232 655139682 /nfs/dbraw/zinc/13/96/82/655139682.db2.gz ILSDNOXDANECJM-NSHDSACASA-N 0 0 390.289 2.818 10 0 GFAERN O=C(Cc1ccccc1Br)N1CCC(Nc2cccnn2)CC1 ZINC000109638009 655149658 /nfs/dbraw/zinc/14/96/58/655149658.db2.gz XGPCPOLVJCUELD-UHFFFAOYSA-N 0 0 375.270 2.885 10 0 GFAERN O=C(COc1ccc(Br)cc1Cl)N1CCC[C@H](n2cncn2)C1 ZINC000109679692 655150514 /nfs/dbraw/zinc/15/05/14/655150514.db2.gz DTQNXNLIHZAWGW-LBPRGKRZSA-N 0 0 399.676 2.937 10 0 GFAERN O=C(NCc1ccc(Cl)s1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172123123 655156504 /nfs/dbraw/zinc/15/65/04/655156504.db2.gz KSUKFJKIOWJCIQ-MRXNPFEDSA-N 0 0 379.913 2.962 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(Br)ccc3F)CCO2)n1 ZINC000110899373 655161379 /nfs/dbraw/zinc/16/13/79/655161379.db2.gz AQGFSSNNZBRUDI-AWEZNQCLSA-N 0 0 396.260 2.943 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(F)ccc3Br)CCO2)n1 ZINC000110899110 655161426 /nfs/dbraw/zinc/16/14/26/655161426.db2.gz PCBVDJYYTHOELG-CQSZACIVSA-N 0 0 396.260 2.943 10 0 GFAERN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000111343873 655169206 /nfs/dbraw/zinc/16/92/06/655169206.db2.gz DBEXKQRTZYPNCJ-GFCCVEGCSA-N 0 0 378.397 2.924 10 0 GFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2Br)ncn1 ZINC000173438101 655172413 /nfs/dbraw/zinc/17/24/13/655172413.db2.gz HIZFYVDLRYQAHN-GFCCVEGCSA-N 0 0 390.285 2.680 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cc(Br)cs3)CC2)n1 ZINC000112035593 655180692 /nfs/dbraw/zinc/18/06/92/655180692.db2.gz VJXNZDQFQPKAKS-JTQLQIEISA-N 0 0 399.314 2.975 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)NCc2ncc(C)s2)N2CCOCC2)s1 ZINC000174947468 655211116 /nfs/dbraw/zinc/21/11/16/655211116.db2.gz QVHGKASKEKHORW-CQSZACIVSA-N 0 0 380.539 2.694 10 0 GFAERN C[C@H](OC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@@H]1CCOC1 ZINC000175234318 655215979 /nfs/dbraw/zinc/21/59/79/655215979.db2.gz NUJFSVNMJATTGB-NWDGAFQWSA-N 0 0 395.253 2.517 10 0 GFAERN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000175709913 655225557 /nfs/dbraw/zinc/22/55/57/655225557.db2.gz AHHCJOMKZWSLTP-BXUZGUMPSA-N 0 0 391.269 2.901 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000114667963 655227042 /nfs/dbraw/zinc/22/70/42/655227042.db2.gz PNKQFZKDQONFCV-ZDUSSCGKSA-N 0 0 376.425 2.739 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1cccc(Br)c1)CC2 ZINC000114863357 655229788 /nfs/dbraw/zinc/22/97/88/655229788.db2.gz PLORILMULBIWDN-CQSZACIVSA-N 0 0 377.286 2.667 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc(Br)cc1)CC2 ZINC000114977062 655231223 /nfs/dbraw/zinc/23/12/23/655231223.db2.gz XSBICYSMWCWLDL-CQSZACIVSA-N 0 0 392.301 2.759 10 0 GFAERN Cc1csc([C@H](OC(=O)C2CCN(C(=O)N(C)C)CC2)C(F)(F)F)n1 ZINC000176009489 655231781 /nfs/dbraw/zinc/23/17/81/655231781.db2.gz MUYPMEKXYJLTHA-NSHDSACASA-N 0 0 379.404 2.992 10 0 GFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(I)c[nH]1 ZINC000115372444 655236437 /nfs/dbraw/zinc/23/64/37/655236437.db2.gz KYKOFFLTKVOZGF-ZDUSSCGKSA-N 0 0 398.248 2.947 10 0 GFAERN CC[C@@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(C)C ZINC000115817945 655242833 /nfs/dbraw/zinc/24/28/33/655242833.db2.gz VSSHMHBVPDTFTO-GFCCVEGCSA-N 0 0 377.304 2.569 10 0 GFAERN Cc1cc(N2CCC[C@@H](NC(=O)c3c(Cl)cccc3Cl)C2=O)n(C)n1 ZINC000176487937 655247379 /nfs/dbraw/zinc/24/73/79/655247379.db2.gz HVITXNDJAZENIL-CYBMUJFWSA-N 0 0 381.263 2.961 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3ccc([S@@](C)=O)cc3)CC2)cs1 ZINC000116468461 655248399 /nfs/dbraw/zinc/24/83/99/655248399.db2.gz NLZQEDFPXJUJPG-VWLOTQADSA-N 0 0 377.535 2.537 10 0 GFAERN CC(C)n1nnnc1C[S@@](=O)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000176518747 655249123 /nfs/dbraw/zinc/24/91/23/655249123.db2.gz JTQZRNHQAIGBCI-REFGNXHDSA-N 0 0 380.861 2.967 10 0 GFAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000176907825 655260589 /nfs/dbraw/zinc/26/05/89/655260589.db2.gz AZLIKIULQWJKTK-UHFFFAOYSA-N 0 0 376.265 2.763 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(Br)cc3F)CCO2)[nH]1 ZINC000176950432 655263529 /nfs/dbraw/zinc/26/35/29/655263529.db2.gz DHMVUKAZSBVDEH-GFCCVEGCSA-N 0 0 384.209 2.620 10 0 GFAERN CC[C@H]1CN(C(=O)c2ccc(Br)cc2OC)CCN1CCOC ZINC000117306019 655263599 /nfs/dbraw/zinc/26/35/99/655263599.db2.gz ODUJPTZBXHTGFZ-AWEZNQCLSA-N 0 0 385.302 2.641 10 0 GFAERN C[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)s1 ZINC000177047473 655266176 /nfs/dbraw/zinc/26/61/76/655266176.db2.gz PRKRZTMTIUZBPN-XLFHBGCDSA-N 0 0 377.853 2.947 10 0 GFAERN Cc1cnn(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)c1 ZINC000117808459 655268292 /nfs/dbraw/zinc/26/82/92/655268292.db2.gz CGGCKDXXGDGVFP-UHFFFAOYSA-N 0 0 392.232 2.709 10 0 GFAERN Cc1cnn(CCNC(=O)c2ccc(Cl)c(I)c2)c1 ZINC000117813647 655268370 /nfs/dbraw/zinc/26/83/70/655268370.db2.gz CANJVKNWIGGSDX-UHFFFAOYSA-N 0 0 389.624 2.880 10 0 GFAERN C[C@H](NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)c1c(Cl)ccc(F)c1Cl ZINC000119171805 655291811 /nfs/dbraw/zinc/29/18/11/655291811.db2.gz DWBVSTXCQDWJKG-VAOFZXAKSA-N 0 0 378.231 2.526 10 0 GFAERN COc1ccc([C@H](C)OC(=O)Cn2cc([N+](=O)[O-])cn2)c(Br)c1 ZINC000179975247 655320268 /nfs/dbraw/zinc/32/02/68/655320268.db2.gz FSXWJBFNRSZCFY-VIFPVBQESA-N 0 0 384.186 2.867 10 0 GFAERN COc1ccc([C@H](C)OC(=O)Cn2ccc([N+](=O)[O-])n2)c(Br)c1 ZINC000179974583 655320272 /nfs/dbraw/zinc/32/02/72/655320272.db2.gz KERRUTPOUYAKSI-VIFPVBQESA-N 0 0 384.186 2.867 10 0 GFAERN Cc1nc(Cl)ccc1COC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000180054533 655321422 /nfs/dbraw/zinc/32/14/22/655321422.db2.gz BCJRPLHVVNUHLQ-NSHDSACASA-N 0 0 386.832 2.593 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cc1Br ZINC000120295396 655334285 /nfs/dbraw/zinc/33/42/85/655334285.db2.gz UVMQHIKPJXJAFD-ZDUSSCGKSA-N 0 0 393.278 2.731 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(Br)nc1C ZINC000181335918 655335469 /nfs/dbraw/zinc/33/54/69/655335469.db2.gz YEIPKMQXFVEYTR-NSHDSACASA-N 0 0 379.262 2.963 10 0 GFAERN O=C(c1cccc(Br)n1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000182709278 655346721 /nfs/dbraw/zinc/34/67/21/655346721.db2.gz SNJATHFTGCNXFK-UHFFFAOYSA-N 0 0 387.237 2.948 10 0 GFAERN CCCCN1CCOC[C@H]1C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000184422601 655357371 /nfs/dbraw/zinc/35/73/71/655357371.db2.gz SWPBQZBHLYTRKW-HOTGVXAUSA-N 0 0 375.296 2.644 10 0 GFAERN C[C@H](CCNC(=O)c1nc(Br)cs1)NC(=O)OC(C)(C)C ZINC000188823721 655382268 /nfs/dbraw/zinc/38/22/68/655382268.db2.gz DKIAKFUIALRXMB-MRVPVSSYSA-N 0 0 378.292 2.939 10 0 GFAERN C[C@H](NC(=O)NNc1nc2ccccn2n1)c1cccc(Br)c1 ZINC000190946315 655396186 /nfs/dbraw/zinc/39/61/86/655396186.db2.gz BZGVHZDLTLBJQR-JTQLQIEISA-N 0 0 375.230 2.879 10 0 GFAERN Cc1cc(S(=O)(=O)N(C)C(=O)[C@@H]2CCCO[C@@H]2C)ccc1Br ZINC000192228012 655403694 /nfs/dbraw/zinc/40/36/94/655403694.db2.gz PDUHGFZCWXBSKL-DGCLKSJQSA-N 0 0 390.299 2.720 10 0 GFAERN Cc1nn(CCOC(=O)[C@H]2CCCO[C@H]2C)c2ncc(Br)cc12 ZINC000192245811 655403994 /nfs/dbraw/zinc/40/39/94/655403994.db2.gz QPEGVLAQFBWJEM-AAEUAGOBSA-N 0 0 382.258 2.861 10 0 GFAERN CCOC(=O)C1CCN(C(=O)c2cc3oc(Br)cc3n2C)CC1 ZINC000223704933 655422459 /nfs/dbraw/zinc/42/24/59/655422459.db2.gz IGVVWKOQKYTAIG-UHFFFAOYSA-N 0 0 383.242 2.949 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000705697178 655522139 /nfs/dbraw/zinc/52/21/39/655522139.db2.gz UCUXILIVUFWKFR-IINYFYTJSA-N 0 0 389.279 2.951 10 0 GFAERN O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000912939925 664311260 /nfs/dbraw/zinc/31/12/60/664311260.db2.gz DRFVMPFCIWHVNK-GDBMZVCRSA-N 0 0 381.263 2.969 10 0 GFAERN O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N1CCC[C@@H]1C(F)(F)F ZINC000913022754 664317258 /nfs/dbraw/zinc/31/72/58/664317258.db2.gz UADWACJMZYCOMN-FWLQQBITSA-N 0 0 376.400 2.520 10 0 GFAERN C[C@H]1CN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CCS1 ZINC000120509809 677396748 /nfs/dbraw/zinc/39/67/48/677396748.db2.gz XUFDIIJBRXNEPG-JTQLQIEISA-N 0 0 396.314 2.881 10 0 GFAERN CC(C)n1cc(C[C@H]2NC(=O)N(Cc3c(Cl)ccc4cccnc43)C2=O)nn1 ZINC000328608483 206231145 /nfs/dbraw/zinc/23/11/45/206231145.db2.gz AOMUKOUIWNNSTK-MRXNPFEDSA-N 0 0 398.854 2.928 10 0 GFAERN CCO[C@H](C)c1noc(CN2CCCC[C@@H]2c2ccc(C(=O)NC)n2C)n1 ZINC000328623675 206234723 /nfs/dbraw/zinc/23/47/23/206234723.db2.gz CBKPTMCBBFHTDV-UKRRQHHQSA-N 0 0 375.473 2.592 10 0 GFAERN CNC(=O)c1ccc([C@@H]2CCCCN2Cc2nccn2CC(F)(F)F)n1C ZINC000328654171 206238432 /nfs/dbraw/zinc/23/84/32/206238432.db2.gz XHJGDFWLTUSUIX-AWEZNQCLSA-N 0 0 383.418 2.871 10 0 GFAERN CC[C@@]1(OC(C)=O)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000004824476 206259939 /nfs/dbraw/zinc/25/99/39/206259939.db2.gz ASVIEXKOXDCZDF-JOCHJYFZSA-N 0 0 390.395 2.650 10 0 GFAERN COc1cc([C@@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O ZINC000005767107 206262306 /nfs/dbraw/zinc/26/23/06/206262306.db2.gz RFDMNXDDRXVJTM-QQGDVQBRSA-N 0 0 384.384 2.615 10 0 GFAERN Cc1cccc2cc(CN(C(=O)c3cnccn3)C3CCCC3)c3nnnn3c12 ZINC000001376733 206376996 /nfs/dbraw/zinc/37/69/96/206376996.db2.gz ANUWSJHFHRPYCU-UHFFFAOYSA-N 0 0 387.447 2.961 10 0 GFAERN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NC3CC3)c3ccccc3C(=O)N1CC2 ZINC000002468462 206418594 /nfs/dbraw/zinc/41/85/94/206418594.db2.gz JCYSHBVOPCEPJV-NHCUHLMSSA-N 0 0 392.455 2.819 10 0 GFAERN Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc2n1C ZINC000004061571 206501627 /nfs/dbraw/zinc/50/16/27/206501627.db2.gz HUSWUQXPRZSYCR-UHFFFAOYSA-N 0 0 385.489 2.667 10 0 GFAERN Cc1cc(-c2ccnc(-n3ncc(C(=O)NC(C)(C)CO)c3C)n2)c(C)s1 ZINC000012123463 206858974 /nfs/dbraw/zinc/85/89/74/206858974.db2.gz KCDBLJLQHYTPPD-UHFFFAOYSA-N 0 0 385.493 2.817 10 0 GFAERN Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H](NCC(F)(F)F)C2 ZINC000014537255 207023114 /nfs/dbraw/zinc/02/31/14/207023114.db2.gz WVBKXJUGTLDSGX-OAHLLOKOSA-N 0 0 392.425 2.628 10 0 GFAERN O=C(CCc1nnc2ccc(NCc3ccc(Cl)cc3)nn21)N1CCCC1 ZINC000015776517 207061314 /nfs/dbraw/zinc/06/13/14/207061314.db2.gz MXXJSOOQPXVZAU-UHFFFAOYSA-N 0 0 384.871 2.945 10 0 GFAERN COc1ccc(CNC(=O)Cc2sc(NC3CCCCC3)nc2O)cc1 ZINC000017084672 207084821 /nfs/dbraw/zinc/08/48/21/207084821.db2.gz VZQNWPCTZYSUSN-MRXNPFEDSA-N 0 0 375.494 2.622 10 0 GFAERN C[C@@H]1CCc2c(sc(NC(=O)CN(C)C3CC[NH+](C)CC3)c2C(=O)[O-])C1 ZINC000020342279 207188140 /nfs/dbraw/zinc/18/81/40/207188140.db2.gz CPBZQCNNQNVLMH-GFCCVEGCSA-N 0 0 379.526 2.536 10 0 GFAERN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2N(Cc2ccccc2)C(C)C)CC1 ZINC000021158179 207226837 /nfs/dbraw/zinc/22/68/37/207226837.db2.gz MITKJTWOMBFZJU-UHFFFAOYSA-N 0 0 399.491 2.730 10 0 GFAERN CC1(C)[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@@H]2[S@@]1=O ZINC000021992706 207245565 /nfs/dbraw/zinc/24/55/65/207245565.db2.gz AZIUCAWYSMPKQK-UFLBVARNSA-N 0 0 383.469 2.787 10 0 GFAERN Cc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3ccccc3n(C)c2=O)C1 ZINC000022596465 207256111 /nfs/dbraw/zinc/25/61/11/207256111.db2.gz DPTQKJXFLOEOPV-SFHVURJKSA-N 0 0 390.487 2.775 10 0 GFAERN CC(C)NC(=O)Cn1c2sc(N3CCCC3)nc2c(-c2ccccc2)nc1=O ZINC000032615302 207398337 /nfs/dbraw/zinc/39/83/37/207398337.db2.gz BFWCOUGKAHYIHB-UHFFFAOYSA-N 0 0 397.504 2.645 10 0 GFAERN CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2cccc(Br)n2)C1 ZINC000095083153 208152274 /nfs/dbraw/zinc/15/22/74/208152274.db2.gz ISCYMHVLYHOQGC-JTQLQIEISA-N 0 0 391.287 2.627 10 0 GFAERN COc1ccc(CS(=O)(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000095076381 208152579 /nfs/dbraw/zinc/15/25/79/208152579.db2.gz MGRMGTXAZBRWTN-INIZCTEOSA-N 0 0 398.525 2.762 10 0 GFAERN CC(C)Cn1c(C[C@@H]2CCN(C(=O)NC[C@H]3CCCO3)C2)nc2cccnc21 ZINC000096125001 208265551 /nfs/dbraw/zinc/26/55/51/208265551.db2.gz AHWZUXBLDCWIKV-DLBZAZTESA-N 0 0 385.512 2.840 10 0 GFAERN Cc1[nH]c(C(=O)Nc2cccc(C)c2C)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000096320021 208305537 /nfs/dbraw/zinc/30/55/37/208305537.db2.gz URFXNSAWBCWEBA-UHFFFAOYSA-N 0 0 391.493 2.522 10 0 GFAERN COc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3)CCN2C)cc1 ZINC000106494185 208435654 /nfs/dbraw/zinc/43/56/54/208435654.db2.gz IVAFGXHXTWDWFS-SFHVURJKSA-N 0 0 382.432 2.651 10 0 GFAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1cccc(Cl)c1 ZINC000224146621 136206259 /nfs/dbraw/zinc/20/62/59/136206259.db2.gz SWTGZGKXGJCBQW-UHFFFAOYSA-N 0 0 376.848 2.677 10 0 GFAERN Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000224177032 136206487 /nfs/dbraw/zinc/20/64/87/136206487.db2.gz LWVWAVPAWFZTIR-UHFFFAOYSA-N 0 0 381.263 2.858 10 0 GFAERN Cc1cc(CNC(=O)c2ccc(Cl)cc2Cl)nc(N2CCOCC2)n1 ZINC000224225573 136206554 /nfs/dbraw/zinc/20/65/54/136206554.db2.gz KADHHHRCZNNMHR-UHFFFAOYSA-N 0 0 381.263 2.858 10 0 GFAERN CCO[C@@]1(C(=O)Nc2cc(I)ccc2C)CCOC1 ZINC000401562875 563535512 /nfs/dbraw/zinc/53/55/12/563535512.db2.gz YLJQCOMVAFGNSP-AWEZNQCLSA-N 0 0 375.206 2.734 10 0 GFAERN COC(=O)C(=CNc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000085346614 522740940 /nfs/dbraw/zinc/74/09/40/522740940.db2.gz DKWRZIGHVLJVNN-MHWRWJLKSA-N 0 0 383.372 2.874 10 0 GFAERN Cc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073685682 525081670 /nfs/dbraw/zinc/08/16/70/525081670.db2.gz ZZDRLXWAOPNWTQ-UHFFFAOYSA-N 0 0 380.370 2.677 10 0 GFAERN COc1cccc(-c2cc(=O)[nH]c(N3CCN(c4ccc(F)cc4)CC3)n2)c1 ZINC000057341656 525698871 /nfs/dbraw/zinc/69/88/71/525698871.db2.gz KWQXYFYCAQCQBC-UHFFFAOYSA-N 0 0 380.423 2.911 10 0 GFAERN COc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1Br ZINC000005581494 551098030 /nfs/dbraw/zinc/09/80/30/551098030.db2.gz CJSFIWCUEHSVMF-UHFFFAOYSA-N 0 0 384.255 2.580 10 0 GFAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000042953817 551140174 /nfs/dbraw/zinc/14/01/74/551140174.db2.gz PHLZDAHIHZNFFP-LBPRGKRZSA-N 0 0 381.885 2.890 10 0 GFAERN C[C@H](C(=O)NCc1cc(Br)cs1)N1C(=O)c2ccccc2C1=O ZINC000046257251 551149642 /nfs/dbraw/zinc/14/96/42/551149642.db2.gz JYJHBXWEHKJDMA-SECBINFHSA-N 0 0 393.262 2.812 10 0 GFAERN O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCN2CCCC[C@@H]2C1 ZINC000106635309 551200916 /nfs/dbraw/zinc/20/09/16/551200916.db2.gz QQUPWLRZEZTYSZ-QGZVFWFLSA-N 0 0 389.297 2.945 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cc(OC)ccc2Br)C1 ZINC000110216421 551203170 /nfs/dbraw/zinc/20/31/70/551203170.db2.gz BFKAVWVQNUXNHX-GFCCVEGCSA-N 0 0 383.286 2.979 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000113588358 551208060 /nfs/dbraw/zinc/20/80/60/551208060.db2.gz JVFAKRGFLSJCMH-GHMZBOCLSA-N 0 0 382.404 2.769 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cc(C)ccc3F)CC2)cs1 ZINC000116351318 551212884 /nfs/dbraw/zinc/21/28/84/551212884.db2.gz KAMSEIKLZNBIMX-UHFFFAOYSA-N 0 0 383.514 2.796 10 0 GFAERN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1[C@H](C)COC[C@@H]1C ZINC000120966641 551223806 /nfs/dbraw/zinc/22/38/06/551223806.db2.gz BUDFOLLIIUIUHZ-AOOOYVTPSA-N 0 0 375.252 2.828 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1Br ZINC000121846137 551243925 /nfs/dbraw/zinc/24/39/25/551243925.db2.gz QFMHMYYWFRHWAX-CQSZACIVSA-N 0 0 384.318 2.789 10 0 GFAERN CCn1cc(C2CCN(C(=O)c3cc(I)c[nH]3)CC2)cn1 ZINC000123849130 551308712 /nfs/dbraw/zinc/30/87/12/551308712.db2.gz MNVBFTALGKQEHY-UHFFFAOYSA-N 0 0 398.248 2.856 10 0 GFAERN C[C@H](C(=O)N1CCOC(C)(C)C1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000124590583 551315940 /nfs/dbraw/zinc/31/59/40/551315940.db2.gz VRGFOYPMYQIQRE-SECBINFHSA-N 0 0 385.247 2.615 10 0 GFAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000127571929 551342164 /nfs/dbraw/zinc/34/21/64/551342164.db2.gz OKICHEBVMMXFIF-SECBINFHSA-N 0 0 378.889 2.848 10 0 GFAERN CCC[C@@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[n-]1)[NH+](C)C ZINC000131108699 551372539 /nfs/dbraw/zinc/37/25/39/551372539.db2.gz QPIPQGSOOUGRGJ-ZDUSSCGKSA-N 0 0 380.290 2.581 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1cc(C)[nH]c(=O)c1)c1cccc(Br)c1 ZINC000133427903 551382729 /nfs/dbraw/zinc/38/27/29/551382729.db2.gz FPHGQNOIXRNGAO-AWEZNQCLSA-N 0 0 393.237 2.892 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3cccnc3Br)CC2)s1 ZINC000135473729 551387858 /nfs/dbraw/zinc/38/78/58/551387858.db2.gz MERSZQMNFGYAMR-UHFFFAOYSA-N 0 0 381.299 2.567 10 0 GFAERN Cc1nc([C@]2(c3cccc(Br)c3)NC(=[NH2+])N3CCCN=C32)cs1 ZINC000142535844 551394782 /nfs/dbraw/zinc/39/47/82/551394782.db2.gz OEZBORDLRRNNBF-INIZCTEOSA-N 0 0 390.310 2.890 10 0 GFAERN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)CN1C(=O)OC(C)(C)C ZINC000143416418 551395342 /nfs/dbraw/zinc/39/53/42/551395342.db2.gz JJJBOVXJPJORRO-ZJUUUORDSA-N 0 0 388.873 2.682 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1cccc(Br)c1)CC2 ZINC000150711926 551400056 /nfs/dbraw/zinc/40/00/56/551400056.db2.gz YOEGASWBPUBUPJ-AWEZNQCLSA-N 0 0 377.286 2.838 10 0 GFAERN O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@H]1CCCC[C@H]1CO ZINC000151112846 551407373 /nfs/dbraw/zinc/40/73/73/551407373.db2.gz FOWFANPYDWMFEQ-AAEUAGOBSA-N 0 0 379.507 2.667 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Br)cc1OC ZINC000151186343 551408517 /nfs/dbraw/zinc/40/85/17/551408517.db2.gz DOQTUAQRGXEYKB-LBPRGKRZSA-N 0 0 379.258 2.877 10 0 GFAERN CC(C)(C)c1csc([C@@H]2CN(CCCNC(=O)C(F)(F)F)CCO2)n1 ZINC000154791133 551482976 /nfs/dbraw/zinc/48/29/76/551482976.db2.gz JMRTXMFNHFOATI-NSHDSACASA-N 0 0 379.448 2.883 10 0 GFAERN C[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)c1cccc(-n2ccnc2)c1 ZINC000155118226 551491745 /nfs/dbraw/zinc/49/17/45/551491745.db2.gz XZYWPZYPDOQAAA-NSHDSACASA-N 0 0 377.857 2.542 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000155798349 551508234 /nfs/dbraw/zinc/50/82/34/551508234.db2.gz RZERDVJTYJAADR-SNVBAGLBSA-N 0 0 380.293 2.796 10 0 GFAERN C[C@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000156716749 551527273 /nfs/dbraw/zinc/52/72/73/551527273.db2.gz PNQFLAYCGRRTDJ-NSHDSACASA-N 0 0 379.507 2.984 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)c(Cl)c2)C[C@H]1C ZINC000157124072 551533984 /nfs/dbraw/zinc/53/39/84/551533984.db2.gz LPGZWSGIBQRPJD-GHMZBOCLSA-N 0 0 375.694 2.630 10 0 GFAERN COc1cc(CNC(=O)N[C@H](C)[C@H]2CCCO2)cc(Br)c1OC ZINC000157215669 551535162 /nfs/dbraw/zinc/53/51/62/551535162.db2.gz UOBXELNBOWRYHL-ZWNOBZJWSA-N 0 0 387.274 2.833 10 0 GFAERN C[C@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000157999159 551545700 /nfs/dbraw/zinc/54/57/00/551545700.db2.gz KHWIZROLNBJKAC-NHYWBVRUSA-N 0 0 387.705 2.895 10 0 GFAERN O=S(=O)(c1ccc(F)c(F)c1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158569841 551553770 /nfs/dbraw/zinc/55/37/70/551553770.db2.gz HDZBZWNBMZJAQE-QLJPJBMISA-N 0 0 375.343 2.740 10 0 GFAERN Cc1cnc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(Br)c1 ZINC000163064647 551615760 /nfs/dbraw/zinc/61/57/60/551615760.db2.gz NCMNIGURYLCGJJ-JTQLQIEISA-N 0 0 388.221 2.776 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)CSc3cccc(Br)c3)CCO2)[nH]1 ZINC000164027356 551623447 /nfs/dbraw/zinc/62/34/47/551623447.db2.gz UAUMYFYACFBWCJ-CYBMUJFWSA-N 0 0 397.298 2.568 10 0 GFAERN C[C@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCS1 ZINC000171429877 551655731 /nfs/dbraw/zinc/65/57/31/551655731.db2.gz QKVVSYAWKXKPBT-NSHDSACASA-N 0 0 386.315 2.925 10 0 GFAERN CCC[C@@H](NC(=O)N1CCS[C@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000171439556 551655735 /nfs/dbraw/zinc/65/57/35/551655735.db2.gz IIKCJYUKSASTKM-UKRRQHHQSA-N 0 0 381.567 2.948 10 0 GFAERN C[C@@H](C(=O)N1CCSC[C@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000172522297 551681038 /nfs/dbraw/zinc/68/10/38/551681038.db2.gz MLXWEZDMRHDSPR-BDAKNGLRSA-N 0 0 387.288 2.942 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)NCCNC(=O)c3cccs3)C2)n1 ZINC000173484457 552086523 /nfs/dbraw/zinc/08/65/23/552086523.db2.gz FHYRJCIIMZFCAA-CYBMUJFWSA-N 0 0 378.523 2.832 10 0 GFAERN Ic1ccc(CN2CCCN(c3cccnn3)CC2)cc1 ZINC000173670501 552091084 /nfs/dbraw/zinc/09/10/84/552091084.db2.gz LZRXIRDQVDDMFB-UHFFFAOYSA-N 0 0 394.260 2.794 10 0 GFAERN C[C@@H]1CN(C(=O)CCc2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000173825197 552093080 /nfs/dbraw/zinc/09/30/80/552093080.db2.gz UIGAWJUOABDKJX-PBHICJAKSA-N 0 0 381.314 2.561 10 0 GFAERN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000173843400 552093687 /nfs/dbraw/zinc/09/36/87/552093687.db2.gz QUKLTNHKKSXYBQ-RHSMWYFYSA-N 0 0 395.341 2.906 10 0 GFAERN C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H]1N1CCOCC1 ZINC000173839548 552093946 /nfs/dbraw/zinc/09/39/46/552093946.db2.gz VKRUVBDDXKABFF-RHSMWYFYSA-N 0 0 393.325 2.660 10 0 GFAERN COc1ccc(Br)cc1CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000173856010 552094820 /nfs/dbraw/zinc/09/48/20/552094820.db2.gz ITLPZOFQZMTWCL-ZDUSSCGKSA-N 0 0 393.285 2.531 10 0 GFAERN CCO[C@H]1C[C@H](N(C)C(=O)c2c[nH]c(=O)c(Br)c2)C12CCCC2 ZINC000173893408 552095202 /nfs/dbraw/zinc/09/52/02/552095202.db2.gz NUTHRSBJVUVABC-KBPBESRZSA-N 0 0 383.286 2.947 10 0 GFAERN Cc1cccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)c1 ZINC000175222447 552118548 /nfs/dbraw/zinc/11/85/48/552118548.db2.gz ATKBTBCSSSAFRM-NVXWUHKLSA-N 0 0 380.535 2.797 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCc2c(Br)cccc2C1 ZINC000175859737 552130141 /nfs/dbraw/zinc/13/01/41/552130141.db2.gz ZAXADYWJZPAZAB-OAHLLOKOSA-N 0 0 390.285 2.952 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000176016616 552134439 /nfs/dbraw/zinc/13/44/39/552134439.db2.gz NNBMEIMCPRCOMX-ZDUSSCGKSA-N 0 0 382.251 2.792 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000177004034 552149298 /nfs/dbraw/zinc/14/92/98/552149298.db2.gz XFVSYXJQVZEDLB-LLVKDONJSA-N 0 0 378.351 2.558 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000177718385 552157520 /nfs/dbraw/zinc/15/75/20/552157520.db2.gz MQJXVJKEHGNXAT-ZWNOBZJWSA-N 0 0 379.258 2.768 10 0 GFAERN C[C@H]1CC[C@H](NC(=O)NCc2ccc(S(N)(=O)=O)s2)c2ccccc21 ZINC000179020696 552182197 /nfs/dbraw/zinc/18/21/97/552182197.db2.gz IIPGFTWXCJOIGE-NHYWBVRUSA-N 0 0 379.507 2.833 10 0 GFAERN Cc1cnc(CCN(C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000179047329 552182931 /nfs/dbraw/zinc/18/29/31/552182931.db2.gz WIYYMLYADOAMRV-CYBMUJFWSA-N 0 0 381.523 2.800 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3ccc(Br)c(C)c3)CC2)no1 ZINC000179320757 552190110 /nfs/dbraw/zinc/19/01/10/552190110.db2.gz ANHVZAJIXLSYLR-UHFFFAOYSA-N 0 0 393.285 2.797 10 0 GFAERN CCc1nnc(CS(=O)(=O)[C@H](C)c2ccc(OC(F)(F)F)cc2)n1C ZINC000179619394 552197665 /nfs/dbraw/zinc/19/76/65/552197665.db2.gz FWSBTTJUQPOMOZ-SNVBAGLBSA-N 0 0 377.388 2.952 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000179778900 552203234 /nfs/dbraw/zinc/20/32/34/552203234.db2.gz RRYPWKQFBSNVLX-HIFRSBDPSA-N 0 0 383.279 2.873 10 0 GFAERN C[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000180068363 552212240 /nfs/dbraw/zinc/21/22/40/552212240.db2.gz YFMKWLGJQMPQCM-DQYPLSBCSA-N 0 0 387.307 2.596 10 0 GFAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H](C)C2 ZINC000180591927 552230590 /nfs/dbraw/zinc/23/05/90/552230590.db2.gz JHFJPJLWGSQAKF-SCLBCKFNSA-N 0 0 379.503 2.610 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)[C@@H](C)C2 ZINC000181228191 552250849 /nfs/dbraw/zinc/25/08/49/552250849.db2.gz KVAQCAAKOCXCLR-SCLBCKFNSA-N 0 0 378.519 2.775 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(Br)cc1C ZINC000181331822 552253621 /nfs/dbraw/zinc/25/36/21/552253621.db2.gz SDNMPSKUQWDTJS-CQSZACIVSA-N 0 0 393.285 2.689 10 0 GFAERN CN(C)C(=O)[C@H]1CCCN1Cc1cc2c(cc1Br)OCCCO2 ZINC000182006388 552272813 /nfs/dbraw/zinc/27/28/13/552272813.db2.gz YJGXTILRRJMNQN-CQSZACIVSA-N 0 0 383.286 2.663 10 0 GFAERN Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)c(C)o1 ZINC000183274225 552304811 /nfs/dbraw/zinc/30/48/11/552304811.db2.gz AKRCKTSQGTUIEC-UKRRQHHQSA-N 0 0 384.523 2.698 10 0 GFAERN Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000184010282 552325164 /nfs/dbraw/zinc/32/51/64/552325164.db2.gz NEXADKNLFLAKDA-CYBMUJFWSA-N 0 0 385.482 2.718 10 0 GFAERN COc1cc(C)c(Br)cc1NC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000184538759 552338177 /nfs/dbraw/zinc/33/81/77/552338177.db2.gz GLQQWBIYLNCWFX-CYBMUJFWSA-N 0 0 384.274 2.851 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)C12CCOCC2 ZINC000185146835 552355485 /nfs/dbraw/zinc/35/54/85/552355485.db2.gz PDPWGNFMEULYHV-HZPDHXFCSA-N 0 0 391.892 2.873 10 0 GFAERN Cc1ccc(Cl)c(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000186307846 552384702 /nfs/dbraw/zinc/38/47/02/552384702.db2.gz LNYKCQWGPOTBFF-KBPBESRZSA-N 0 0 378.881 2.883 10 0 GFAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1nc(Br)ccc1Br ZINC000188004548 552431318 /nfs/dbraw/zinc/43/13/18/552431318.db2.gz HNNUJPCDQRELLB-HTQZYQBOSA-N 0 0 378.064 2.856 10 0 GFAERN Cc1ccc(Br)nc1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000188325616 552442213 /nfs/dbraw/zinc/44/22/13/552442213.db2.gz RMHCHMBZQPMDGR-LLVKDONJSA-N 0 0 378.274 2.612 10 0 GFAERN CC(C)(C(=O)N1CC(NC(=O)C2CCC2)C1)c1ccc(Br)cc1 ZINC000188504248 552446392 /nfs/dbraw/zinc/44/63/92/552446392.db2.gz QVSFHCNQGLGMDT-UHFFFAOYSA-N 0 0 379.298 2.854 10 0 GFAERN Fc1cc(Br)cc(OCCN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000188962381 552459674 /nfs/dbraw/zinc/45/96/74/552459674.db2.gz LAZXMLKLAXAYBI-INIZCTEOSA-N 0 0 384.249 2.565 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000189190464 552465564 /nfs/dbraw/zinc/46/55/64/552465564.db2.gz WZJVHANHWDXGDP-GXSJLCMTSA-N 0 0 392.264 2.836 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(Br)cc1C(F)(F)F ZINC000189241299 552466536 /nfs/dbraw/zinc/46/65/36/552466536.db2.gz JDFTYHFLCALYLD-MRVPVSSYSA-N 0 0 379.176 2.819 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(F)c1)CC2 ZINC000189637987 552476332 /nfs/dbraw/zinc/47/63/32/552476332.db2.gz VKZHKRBIVJUOSA-LBPRGKRZSA-N 0 0 386.880 2.628 10 0 GFAERN COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000189881732 552481702 /nfs/dbraw/zinc/48/17/02/552481702.db2.gz ONSQUBJUIDWXFA-GWCFXTLKSA-N 0 0 394.273 2.945 10 0 GFAERN CC(C)c1cnc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000190735938 552507601 /nfs/dbraw/zinc/50/76/01/552507601.db2.gz CPJKOLRCUQKLJK-STQMWFEESA-N 0 0 379.507 2.501 10 0 GFAERN COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000190741034 552507645 /nfs/dbraw/zinc/50/76/45/552507645.db2.gz YGUFTTDGXPXDJF-CYBMUJFWSA-N 0 0 384.479 2.765 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3scc(C)c3Br)CCO2)[nH]1 ZINC000190954446 552514410 /nfs/dbraw/zinc/51/44/10/552514410.db2.gz RQCZEPGIJOOTLG-VIFPVBQESA-N 0 0 385.287 2.713 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)NCCc1cc(Cl)ccc1Br ZINC000191502760 552530156 /nfs/dbraw/zinc/53/01/56/552530156.db2.gz UABNXNLQXUZPTL-JTQLQIEISA-N 0 0 388.693 2.565 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)c3cc(Br)cn3CC)CCO2)cn1 ZINC000191747086 552536899 /nfs/dbraw/zinc/53/68/99/552536899.db2.gz GUSACWYCCIVRPE-OAHLLOKOSA-N 0 0 381.274 2.701 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Cc3cc(F)ccc3Br)CCO2)cn1 ZINC000191765123 552537417 /nfs/dbraw/zinc/53/74/17/552537417.db2.gz JDWCXTDZHRKWBW-INIZCTEOSA-N 0 0 396.260 2.947 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)CCO2)cn1 ZINC000191786258 552537893 /nfs/dbraw/zinc/53/78/93/552537893.db2.gz SXSORTBUHLFNGW-INIZCTEOSA-N 0 0 396.260 2.947 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCN1C[C@@H](C)O ZINC000192137925 552552694 /nfs/dbraw/zinc/55/26/94/552552694.db2.gz SSKHZAPHKHRPES-GHMZBOCLSA-N 0 0 391.256 2.645 10 0 GFAERN C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2 ZINC000192826767 552975103 /nfs/dbraw/zinc/97/51/03/552975103.db2.gz KMBMNCOHRUQDDU-LLVKDONJSA-N 0 0 392.253 2.905 10 0 GFAERN COc1ccc(NCc2nnc(C3CC3)n2C)c(I)c1 ZINC000193108603 552983488 /nfs/dbraw/zinc/98/34/88/552983488.db2.gz DNBCFFSELRFYJU-UHFFFAOYSA-N 0 0 384.221 2.918 10 0 GFAERN C[C@@H](NC(=O)NCCc1ccc(Cl)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000193110055 552983602 /nfs/dbraw/zinc/98/36/02/552983602.db2.gz BJPVJPPTJHQSLM-SNVBAGLBSA-N 0 0 387.914 2.652 10 0 GFAERN O=C(c1ccoc1Br)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000193555923 552996836 /nfs/dbraw/zinc/99/68/36/552996836.db2.gz SGECSYPNQPEJKV-OAHLLOKOSA-N 0 0 379.254 2.534 10 0 GFAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000194049447 553010402 /nfs/dbraw/zinc/01/04/02/553010402.db2.gz LLCGOSUMHIEMSO-YGRLFVJLSA-N 0 0 378.416 2.553 10 0 GFAERN CCCCc1nnc(NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000194137168 553012896 /nfs/dbraw/zinc/01/28/96/553012896.db2.gz WUAQPWMTUYSDPK-LBPRGKRZSA-N 0 0 380.495 2.921 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc(Br)c(C)c3F)CCO2)[nH]1 ZINC000194191257 553014374 /nfs/dbraw/zinc/01/43/74/553014374.db2.gz XJVWUQFJOHPSQC-LBPRGKRZSA-N 0 0 398.236 2.929 10 0 GFAERN Cc1csc([C@@H]2CN(C(=O)NCCOc3ccc(Cl)cn3)CCO2)n1 ZINC000194323941 553017684 /nfs/dbraw/zinc/01/76/84/553017684.db2.gz ZZJXGYMUZBAIIM-ZDUSSCGKSA-N 0 0 382.873 2.662 10 0 GFAERN CCn1c(C)nnc1CSc1nnc(SCc2nnc(C)n2CC)s1 ZINC000194655818 553026356 /nfs/dbraw/zinc/02/63/56/553026356.db2.gz ZVGWDFJPIOFDGA-UHFFFAOYSA-N 0 0 396.571 2.962 10 0 GFAERN CC(C)n1nnnc1CS(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000195426420 553048135 /nfs/dbraw/zinc/04/81/35/553048135.db2.gz SJRQDPKMICLIIJ-UHFFFAOYSA-N 0 0 381.845 2.677 10 0 GFAERN Cc1nn(C2CCCC2)c(N)c1[C@]1(O)c2cc(Br)ccc2NC1=O ZINC000227173549 553062665 /nfs/dbraw/zinc/06/26/65/553062665.db2.gz NDFKYZHHIQOAMX-QGZVFWFLSA-N 0 0 391.269 2.839 10 0 GFAERN O=C(c1ccccc1I)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238873483 553086789 /nfs/dbraw/zinc/08/67/89/553086789.db2.gz NLRWDKWKFOQCNE-GFCCVEGCSA-N 0 0 394.212 2.980 10 0 GFAERN C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1CCCO1 ZINC000247508881 553123129 /nfs/dbraw/zinc/12/31/29/553123129.db2.gz PDEODPNJLZIBQZ-HEHGZKQESA-N 0 0 382.302 2.895 10 0 GFAERN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000248829641 553135455 /nfs/dbraw/zinc/13/54/55/553135455.db2.gz HULVENBFQCXVEM-VUCTXSBTSA-N 0 0 387.307 2.860 10 0 GFAERN NCc1nc(CN2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)no1 ZINC000261776189 553159381 /nfs/dbraw/zinc/15/93/81/553159381.db2.gz PEWMTPPSQCFJHB-ZDUSSCGKSA-N 0 0 384.267 2.828 10 0 GFAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000261877357 553161735 /nfs/dbraw/zinc/16/17/35/553161735.db2.gz DXAOLEOCBGWEOD-CLAHSXSESA-N 0 0 399.676 2.808 10 0 GFAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000261870200 553161838 /nfs/dbraw/zinc/16/18/38/553161838.db2.gz DBOBRWWRPUXAAL-YGRLFVJLSA-N 0 0 396.310 2.812 10 0 GFAERN Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000262254515 553168179 /nfs/dbraw/zinc/16/81/79/553168179.db2.gz DXVYIDJTNOHKND-ZDUSSCGKSA-N 0 0 383.286 2.769 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000262710354 553174113 /nfs/dbraw/zinc/17/41/13/553174113.db2.gz LLISYFQYYVWORM-UHFFFAOYSA-N 0 0 389.279 2.816 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2c(F)cccc2Br)C1 ZINC000262757111 553175309 /nfs/dbraw/zinc/17/53/09/553175309.db2.gz ZCZOGBQUGWRDKJ-UHFFFAOYSA-N 0 0 399.260 2.646 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000262827700 553176901 /nfs/dbraw/zinc/17/69/01/553176901.db2.gz QSTFPPIQGSNZEE-QFWMXSHPSA-N 0 0 389.279 2.814 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000262959430 553179453 /nfs/dbraw/zinc/17/94/53/553179453.db2.gz JXWDQYIOPJRSFR-LLVKDONJSA-N 0 0 395.308 2.553 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000263483923 553188452 /nfs/dbraw/zinc/18/84/52/553188452.db2.gz LVKXAVRDRAFFSD-LBPRGKRZSA-N 0 0 395.308 2.553 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000263509585 553188660 /nfs/dbraw/zinc/18/86/60/553188660.db2.gz YHRXTTCGOOYUAT-UHFFFAOYSA-N 0 0 398.301 2.528 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000263565074 553189544 /nfs/dbraw/zinc/18/95/44/553189544.db2.gz VHUFBZYJIZOPNZ-UHFFFAOYSA-N 0 0 382.258 2.966 10 0 GFAERN Cn1ncc(NCC2(c3cccc(F)c3)CCOCC2)c(Br)c1=O ZINC000301228901 563397200 /nfs/dbraw/zinc/39/72/00/563397200.db2.gz HQCBTMXASUDIBL-UHFFFAOYSA-N 0 0 396.260 2.842 10 0 GFAERN O=C(c1cnc(N[C@@H](CCO)c2cccs2)c(Cl)c1)N1CCOCC1 ZINC000301378623 563402171 /nfs/dbraw/zinc/40/21/71/563402171.db2.gz XIKCDUKBNOUWFL-AWEZNQCLSA-N 0 0 381.885 2.805 10 0 GFAERN CNc1nc(N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)ncc1Br ZINC000302682626 563428274 /nfs/dbraw/zinc/42/82/74/563428274.db2.gz AHLJPCIIUAQHHM-CQSZACIVSA-N 0 0 390.285 2.802 10 0 GFAERN O=C(c1cccc(F)c1I)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000571263955 564542671 /nfs/dbraw/zinc/54/26/71/564542671.db2.gz FLEDFYURBQYZTE-GARJFASQSA-N 0 0 389.208 2.663 10 0 GFAERN CS(=O)(=O)c1cc(NC(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)ccc1Cl ZINC000574046528 564666483 /nfs/dbraw/zinc/66/64/83/564666483.db2.gz MGSIMWLIRUUYTA-GXTWGEPZSA-N 0 0 384.885 2.776 10 0 GFAERN CC[C@@H]1Oc2ccc(NC(=O)COC)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909221 570477029 /nfs/dbraw/zinc/47/70/29/570477029.db2.gz IHNCWLJCIQSZPL-IBGZPJMESA-N 0 0 398.459 2.980 10 0 GFAERN CCOC[C@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C(C)C ZINC000036161352 570555913 /nfs/dbraw/zinc/55/59/13/570555913.db2.gz CTTNVCVRZJAWLU-ZIAGYGMSSA-N 0 0 393.553 2.717 10 0 GFAERN COc1ccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3Cc3cccnc3)C2)cc1 ZINC000011880831 570591676 /nfs/dbraw/zinc/59/16/76/570591676.db2.gz HJYHYCGKDKQASR-QUCCMNQESA-N 0 0 379.460 2.744 10 0 GFAERN O=C(NC[C@H]1Cc2cc(F)cc(-c3ncccn3)c2O1)c1noc2c1CCCC2 ZINC000012028346 570599529 /nfs/dbraw/zinc/59/95/29/570599529.db2.gz CYRLUPAJKJPXRK-CQSZACIVSA-N 0 0 394.406 2.883 10 0 GFAERN CN(C)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)CC1 ZINC000012151908 570618144 /nfs/dbraw/zinc/61/81/44/570618144.db2.gz KHDFHGNCZURPHE-UHFFFAOYSA-N 0 0 397.500 2.849 10 0 GFAERN Cc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(c4ccccn4)CC3)cc2c1 ZINC000041186702 570661815 /nfs/dbraw/zinc/66/18/15/570661815.db2.gz MHBCTXOBVPVOQN-UHFFFAOYSA-N 0 0 376.460 2.513 10 0 GFAERN NC(=O)c1cc2sc(-c3ccc(Br)cc3)nc2c(C(N)=O)c1 ZINC000073635659 570663471 /nfs/dbraw/zinc/66/34/71/570663471.db2.gz BCGXJPROIYDUMC-UHFFFAOYSA-N 0 0 376.235 2.924 10 0 GFAERN O=C(NCCc1cccc2ccccc21)c1cc(CN2CCC[C@H](O)C2)on1 ZINC000012596768 570689684 /nfs/dbraw/zinc/68/96/84/570689684.db2.gz QFHXDIOOYRWTPZ-SFHVURJKSA-N 0 0 379.460 2.757 10 0 GFAERN CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000065136323 570707945 /nfs/dbraw/zinc/70/79/45/570707945.db2.gz YLRROZSREJDMNU-INIZCTEOSA-N 0 0 376.476 2.624 10 0 GFAERN CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NCc2cccnc2)[C@H](c2ccc(OC)cc2)[N@@H+]1C ZINC000067867746 570795379 /nfs/dbraw/zinc/79/53/79/570795379.db2.gz KHQBJQZTNHGPGP-IPJJNNNSSA-N 0 0 397.475 2.633 10 0 GFAERN CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000024356117 654543561 /nfs/dbraw/zinc/54/35/61/654543561.db2.gz ROTXGHLVQAOYJK-JSGCOSHPSA-N 0 0 388.917 2.572 10 0 GFAERN CC(C)[C@H](C)NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000025976717 654554857 /nfs/dbraw/zinc/55/48/57/654554857.db2.gz CXRVBPDIZUMZND-LBPRGKRZSA-N 0 0 380.432 2.925 10 0 GFAERN COC(=O)[C@H](NC(=O)c1ccccc1I)c1ccccc1 ZINC000050512802 654720479 /nfs/dbraw/zinc/72/04/79/654720479.db2.gz YOIBVBHIPZLEHD-CQSZACIVSA-N 0 0 395.196 2.935 10 0 GFAERN O=S(=O)(c1cccc(Br)c1)N1CCC(Nc2cccnn2)CC1 ZINC000122195032 654731206 /nfs/dbraw/zinc/73/12/06/654731206.db2.gz NEQXHXUOTSBFGW-UHFFFAOYSA-N 0 0 397.298 2.504 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000052606164 654737336 /nfs/dbraw/zinc/73/73/36/654737336.db2.gz RUTVTHBKAZXAQU-HNNXBMFYSA-N 0 0 376.881 2.642 10 0 GFAERN COCCn1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000123489241 654757522 /nfs/dbraw/zinc/75/75/22/654757522.db2.gz MTCLCBREOQEROQ-SNVBAGLBSA-N 0 0 385.251 2.652 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCSc1ccc(F)cc1 ZINC000055416010 654774636 /nfs/dbraw/zinc/77/46/36/654774636.db2.gz CYKFPXVTZGLAIR-MRXNPFEDSA-N 0 0 388.530 2.628 10 0 GFAERN Cc1nc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)sc1Br ZINC000125544832 654797452 /nfs/dbraw/zinc/79/74/52/654797452.db2.gz MBGLWDLIWGLTHY-UWVGGRQHSA-N 0 0 381.317 2.546 10 0 GFAERN C[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000057197626 654802619 /nfs/dbraw/zinc/80/26/19/654802619.db2.gz NBHCMDJEVLNSFK-BXUZGUMPSA-N 0 0 384.274 2.644 10 0 GFAERN O=C(NCc1ccc(O)c(Br)c1)N1CCO[C@H](c2nccs2)C1 ZINC000126251352 654811270 /nfs/dbraw/zinc/81/12/70/654811270.db2.gz MUOJPCSEEYOXFE-ZDUSSCGKSA-N 0 0 398.282 2.894 10 0 GFAERN O=C(NCc1ccc(O)c(Br)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000126251111 654811420 /nfs/dbraw/zinc/81/14/20/654811420.db2.gz PLTTXQWNJAQYFB-UHFFFAOYSA-N 0 0 379.258 2.967 10 0 GFAERN Cc1ccc(Cl)c(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c1 ZINC000126440801 654814251 /nfs/dbraw/zinc/81/42/51/654814251.db2.gz DEDGIJLXMHEPEJ-NSHDSACASA-N 0 0 377.853 2.714 10 0 GFAERN O=C(Nc1cncc(Br)c1)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000127192383 654825968 /nfs/dbraw/zinc/82/59/68/654825968.db2.gz KJLRICAKZXDABP-GFCCVEGCSA-N 0 0 395.282 2.993 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000130164531 654881685 /nfs/dbraw/zinc/88/16/85/654881685.db2.gz SILYHBFMCIOLQL-CQSZACIVSA-N 0 0 375.694 2.631 10 0 GFAERN C[C@@H](OC(=O)Cn1nc2ccccn2c1=O)c1ccc(Br)cc1F ZINC000131154804 654897206 /nfs/dbraw/zinc/89/72/06/654897206.db2.gz GOEQCRGHVJLVCI-SNVBAGLBSA-N 0 0 394.200 2.702 10 0 GFAERN CC[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Cc1cccc(Br)c1 ZINC000132171335 654927462 /nfs/dbraw/zinc/92/74/62/654927462.db2.gz FNAHBAXNILXGPB-WMLDXEAASA-N 0 0 398.345 2.648 10 0 GFAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000069917567 654989291 /nfs/dbraw/zinc/98/92/91/654989291.db2.gz KENCXGWMNDZTTC-MNOVXSKESA-N 0 0 377.304 2.585 10 0 GFAERN COc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)cn1 ZINC000070955615 654997189 /nfs/dbraw/zinc/99/71/89/654997189.db2.gz AWKAVRJIOANSOO-JTQLQIEISA-N 0 0 378.226 2.669 10 0 GFAERN CCc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000096137256 655030615 /nfs/dbraw/zinc/03/06/15/655030615.db2.gz INHFAWKMXWMDHS-KHPPLWFESA-N 0 0 380.491 2.617 10 0 GFAERN COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)c(C)c1)C(C)(C)C ZINC000097578108 655036486 /nfs/dbraw/zinc/03/64/86/655036486.db2.gz VZSWMQLHJKPEAV-LBPRGKRZSA-N 0 0 378.288 2.624 10 0 GFAERN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1ccc(C)cc1Br ZINC000102660558 655057435 /nfs/dbraw/zinc/05/74/35/655057435.db2.gz HNUGUZCLEUATIO-NSHDSACASA-N 0 0 390.299 2.720 10 0 GFAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1c(Cl)cccc1Cl ZINC000106071002 655101724 /nfs/dbraw/zinc/10/17/24/655101724.db2.gz CFATZILNGJIRQE-UHFFFAOYSA-N 0 0 380.279 2.934 10 0 GFAERN COc1ccc(Br)cc1CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000106197474 655104729 /nfs/dbraw/zinc/10/47/29/655104729.db2.gz VPBVWCMVDXHRNV-INIZCTEOSA-N 0 0 380.286 2.864 10 0 GFAERN C[C@@H]1CC[C@H](C(=O)Oc2cc([N+](=O)[O-])ccc2I)O1 ZINC000160335653 655120789 /nfs/dbraw/zinc/12/07/89/655120789.db2.gz YJSNJMGVHLXWDS-GMSGAONNSA-N 0 0 377.134 2.672 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)OC[C@@H]1Cc2cc(Br)ccc2O1 ZINC000160420432 655121649 /nfs/dbraw/zinc/12/16/49/655121649.db2.gz AJGBMKZNYYJPBH-MFKMUULPSA-N 0 0 394.221 2.707 10 0 GFAERN Cc1ccc([C@@H](CNc2ncc(C(N)=O)cc2Cl)N2CCOCC2)s1 ZINC000109320640 655145025 /nfs/dbraw/zinc/14/50/25/655145025.db2.gz CRXQXSQWCAZFDK-CQSZACIVSA-N 0 0 380.901 2.689 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)Cc3ccc(Br)cc3)CC2)nn1 ZINC000109634510 655149396 /nfs/dbraw/zinc/14/93/96/655149396.db2.gz HSOWMRCRTCLYEU-UHFFFAOYSA-N 0 0 389.297 2.829 10 0 GFAERN Cc1ncc(CN2CCN(Cn3c(=O)oc4ccc(Cl)cc43)CC2)s1 ZINC000171890241 655155180 /nfs/dbraw/zinc/15/51/80/655155180.db2.gz UCDSHYZJBUQYHX-UHFFFAOYSA-N 0 0 378.885 2.788 10 0 GFAERN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111077641 655163905 /nfs/dbraw/zinc/16/39/05/655163905.db2.gz CUYYJAHVAHDGGX-NSHDSACASA-N 0 0 378.841 2.794 10 0 GFAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2nc(Cl)ccc2Cl)ncn1 ZINC000173444709 655172832 /nfs/dbraw/zinc/17/28/32/655172832.db2.gz JHXOTJKEROMVJD-JTQLQIEISA-N 0 0 381.267 2.619 10 0 GFAERN O=C(NCCc1cc(Cl)cc(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111842874 655178033 /nfs/dbraw/zinc/17/80/33/655178033.db2.gz XYADDVXIRZCFBN-MRXNPFEDSA-N 0 0 383.279 2.843 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000173743753 655179212 /nfs/dbraw/zinc/17/92/12/655179212.db2.gz ALGNRSPJJCWSJD-NSHDSACASA-N 0 0 375.281 2.747 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)CC2 ZINC000173768524 655180627 /nfs/dbraw/zinc/18/06/27/655180627.db2.gz VXNFASFPCSILSG-AAEUAGOBSA-N 0 0 393.285 2.502 10 0 GFAERN O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000173984837 655188374 /nfs/dbraw/zinc/18/83/74/655188374.db2.gz CCXOBBYFOWAXRO-LOWQCSRCSA-N 0 0 397.298 2.678 10 0 GFAERN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1CCOC1 ZINC000175232057 655215982 /nfs/dbraw/zinc/21/59/82/655215982.db2.gz HFJYQZOVSSIVRD-RWMBFGLXSA-N 0 0 382.254 2.770 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3ccc(Br)s3)CCO2)n1 ZINC000114333363 655222094 /nfs/dbraw/zinc/22/20/94/655222094.db2.gz HNCVBZBQTAWHIY-ZDUSSCGKSA-N 0 0 398.326 2.794 10 0 GFAERN C[C@H]1CN(C(=O)NCCc2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000175722177 655226140 /nfs/dbraw/zinc/22/61/40/655226140.db2.gz BJHCCMDDIFMLLW-GUYCJALGSA-N 0 0 386.323 2.898 10 0 GFAERN O=C(CCNS(=O)(=O)c1ccccc1)N1CCCC[C@@H]1c1nccs1 ZINC000115363453 655236193 /nfs/dbraw/zinc/23/61/93/655236193.db2.gz NQENTGMRWQJRKP-OAHLLOKOSA-N 0 0 379.507 2.565 10 0 GFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccccc2Br)CC1 ZINC000115387743 655236630 /nfs/dbraw/zinc/23/66/30/655236630.db2.gz DNQCPXQDDLIKKO-UHFFFAOYSA-N 0 0 391.313 2.757 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)c3ccc(F)cc3I)C2)cn1 ZINC000116113950 655243957 /nfs/dbraw/zinc/24/39/57/655243957.db2.gz FTFIKRQIFMLAOH-JTQLQIEISA-N 0 0 399.207 2.794 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)c3csc(I)c3)C2)cn1 ZINC000116114923 655244199 /nfs/dbraw/zinc/24/41/99/655244199.db2.gz NMZIIHWJRYTLSZ-VIFPVBQESA-N 0 0 387.246 2.716 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)c3csc(I)c3)C2)cn1 ZINC000116114920 655244219 /nfs/dbraw/zinc/24/42/19/655244219.db2.gz NMZIIHWJRYTLSZ-SECBINFHSA-N 0 0 387.246 2.716 10 0 GFAERN C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000176453706 655246142 /nfs/dbraw/zinc/24/61/42/655246142.db2.gz VPBNZUZYCWFWMJ-RISCZKNCSA-N 0 0 378.274 2.806 10 0 GFAERN O=C(NCCc1cc(Br)ccc1F)N[C@@H]1CCCn2ncnc21 ZINC000176454589 655246151 /nfs/dbraw/zinc/24/61/51/655246151.db2.gz BYXGGJBUZOKRFQ-CYBMUJFWSA-N 0 0 382.237 2.557 10 0 GFAERN COc1cccc(-c2nc(C[S@@](=O)Cc3nnnn3C(C)C)cs2)c1 ZINC000176501530 655248013 /nfs/dbraw/zinc/24/80/13/655248013.db2.gz UPBNASFQVNHQKD-RUZDIDTESA-N 0 0 377.495 2.835 10 0 GFAERN CC(C)n1ccnc1C[S@](=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000176846601 655258212 /nfs/dbraw/zinc/25/82/12/655258212.db2.gz WRMYKPMNPFNZHS-HSZRJFAPSA-N 0 0 376.450 2.909 10 0 GFAERN O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@@H]1CNC(=O)C1 ZINC000117152438 655260957 /nfs/dbraw/zinc/26/09/57/655260957.db2.gz HMBNSQWLWGGGJA-ZDUSSCGKSA-N 0 0 389.249 2.994 10 0 GFAERN COCCN1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1C ZINC000117292138 655263273 /nfs/dbraw/zinc/26/32/73/655263273.db2.gz GRETVQBRFJJZKW-NSHDSACASA-N 0 0 375.694 2.895 10 0 GFAERN Cc1cc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)sc1Br ZINC000176950158 655263452 /nfs/dbraw/zinc/26/34/52/655263452.db2.gz ATEHEKZHTMTTEH-NSHDSACASA-N 0 0 390.328 2.869 10 0 GFAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1CCOC ZINC000117526253 655265549 /nfs/dbraw/zinc/26/55/49/655265549.db2.gz XPUFTLSDEJUMGE-ZDUSSCGKSA-N 0 0 388.295 2.501 10 0 GFAERN Cc1cnn(CCNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1 ZINC000117808408 655268255 /nfs/dbraw/zinc/26/82/55/655268255.db2.gz HMRWGHSDNQBLGN-QGZVFWFLSA-N 0 0 376.869 2.590 10 0 GFAERN Cc1cnn(CCNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1 ZINC000117808406 655268328 /nfs/dbraw/zinc/26/83/28/655268328.db2.gz HMRWGHSDNQBLGN-KRWDZBQOSA-N 0 0 376.869 2.590 10 0 GFAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCc2c(Br)cccc2C1 ZINC000177378688 655274605 /nfs/dbraw/zinc/27/46/05/655274605.db2.gz ZUQHXJFGOOEBPZ-CQSZACIVSA-N 0 0 376.258 2.643 10 0 GFAERN O=C(CSC[C@H](O)CO)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000177407178 655275656 /nfs/dbraw/zinc/27/56/56/655275656.db2.gz AFSWSRCONJQZQD-SNVBAGLBSA-N 0 0 377.306 2.749 10 0 GFAERN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177546863 655280719 /nfs/dbraw/zinc/28/07/19/655280719.db2.gz BVEJIQNDXSVIGW-CABZTGNLSA-N 0 0 378.778 2.965 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(Br)cc1F ZINC000118672233 655280700 /nfs/dbraw/zinc/28/07/00/655280700.db2.gz WTONYFPKVFETIU-GFCCVEGCSA-N 0 0 379.233 2.777 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000177587913 655282887 /nfs/dbraw/zinc/28/28/87/655282887.db2.gz VILKJBLWWMZAIO-SNVBAGLBSA-N 0 0 378.288 2.800 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1I ZINC000177687494 655286096 /nfs/dbraw/zinc/28/60/96/655286096.db2.gz NFFVGSGPFWLNIX-GFCCVEGCSA-N 0 0 397.220 2.848 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(I)cc1 ZINC000177689480 655286167 /nfs/dbraw/zinc/28/61/67/655286167.db2.gz XGRBFXBLHFFKJW-GFCCVEGCSA-N 0 0 397.220 2.848 10 0 GFAERN O=C(c1ccc(I)c(F)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177750863 655287371 /nfs/dbraw/zinc/28/73/71/655287371.db2.gz WDMHXCCOUXVRSG-GFCCVEGCSA-N 0 0 399.207 2.932 10 0 GFAERN C[C@H](CNC(=O)c1cc(Br)cc(C(F)(F)F)c1)N1CCOCC1 ZINC000119044666 655287706 /nfs/dbraw/zinc/28/77/06/655287706.db2.gz RUOGCHFMSHTBPX-SNVBAGLBSA-N 0 0 395.219 2.918 10 0 GFAERN C[C@@H]1CC[C@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)O1 ZINC000177914178 655291160 /nfs/dbraw/zinc/29/11/60/655291160.db2.gz IKZPGDQOSRUQJM-ZWNOBZJWSA-N 0 0 377.794 2.970 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cc(Br)ccc1F ZINC000119569158 655307391 /nfs/dbraw/zinc/30/73/91/655307391.db2.gz ZZAUUGNJRAQPPT-CYBMUJFWSA-N 0 0 397.248 2.520 10 0 GFAERN CO[C@@]1(C(=O)Nc2ccc(I)cc2Cl)CCOC1 ZINC000277217421 655308323 /nfs/dbraw/zinc/30/83/23/655308323.db2.gz PEAOJLCNNFIHLJ-LBPRGKRZSA-N 0 0 381.597 2.689 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)[C@H](C)C2 ZINC000181243591 655333950 /nfs/dbraw/zinc/33/39/50/655333950.db2.gz BZZJBFYBDGKJRT-PIGZYNQJSA-N 0 0 378.881 2.959 10 0 GFAERN C[C@H](NC(=O)N1CCC(N2CCNC2=O)CC1)c1ccccc1Br ZINC000120299378 655334311 /nfs/dbraw/zinc/33/43/11/655334311.db2.gz LJULQNRVXKSREF-LBPRGKRZSA-N 0 0 395.301 2.709 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(Br)ccc1C ZINC000120445444 655335960 /nfs/dbraw/zinc/33/59/60/655335960.db2.gz JMFAODRDBJGCHB-AWEZNQCLSA-N 0 0 389.315 2.900 10 0 GFAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCc2c(Br)ccc(F)c2C1 ZINC000184829484 655359682 /nfs/dbraw/zinc/35/96/82/655359682.db2.gz RDYVMVWVRHKSJR-STQMWFEESA-N 0 0 393.256 2.855 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(Cn3nc(C(F)(F)F)sc3=S)CCO2)n1 ZINC000188682131 655381421 /nfs/dbraw/zinc/38/14/21/655381421.db2.gz ZXHBPGRUPQXSLM-NSHDSACASA-N 0 0 393.460 2.865 10 0 GFAERN Cn1nc(Br)cc1C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000190394483 655391754 /nfs/dbraw/zinc/39/17/54/655391754.db2.gz FPCHKCGHNDLYIR-CQSZACIVSA-N 0 0 394.269 2.995 10 0 GFAERN C[C@H]1C(=O)NCCCN1Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000190707422 655394366 /nfs/dbraw/zinc/39/43/66/655394366.db2.gz VGLZPUAECZUDRU-NSHDSACASA-N 0 0 381.249 2.620 10 0 GFAERN CCn1c(C)nnc1CSc1nnc(-c2ccccc2Br)n1N ZINC000194648481 655416949 /nfs/dbraw/zinc/41/69/49/655416949.db2.gz ZNJVCQQTYSQUQC-UHFFFAOYSA-N 0 0 394.302 2.634 10 0 GFAERN C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CCO[C@@H]3CCCC[C@@H]32)C1=O ZINC000245402316 655427540 /nfs/dbraw/zinc/42/75/40/655427540.db2.gz HRARDUSBDJWSMR-XWCIJXRUSA-N 0 0 383.901 2.769 10 0 GFAERN C[C@H]1CN(CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246100550 655428995 /nfs/dbraw/zinc/42/89/95/655428995.db2.gz HXGBMZRGYFOEJL-ZBEGNZNMSA-N 0 0 398.326 2.611 10 0 GFAERN C[C@@H]1CC[C@H](C(=O)OC[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)O1 ZINC000248948740 655433578 /nfs/dbraw/zinc/43/35/78/655433578.db2.gz ZOZYBQFQEREEPA-TYNCELHUSA-N 0 0 382.254 2.913 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2ccc(Br)c(F)c2)C1 ZINC000262788140 655447167 /nfs/dbraw/zinc/44/71/67/655447167.db2.gz KCGFQBZBMJXLOX-UHFFFAOYSA-N 0 0 399.260 2.646 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000262878557 655447560 /nfs/dbraw/zinc/44/75/60/655447560.db2.gz FCWQMAZUFRHLEG-LBPRGKRZSA-N 0 0 389.279 2.770 10 0 GFAERN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900929052 663726373 /nfs/dbraw/zinc/72/63/73/663726373.db2.gz CLDSDJBXINBSSM-KHQYHCOMSA-N 0 0 379.547 2.902 10 0 GFAERN O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000389135854 563521104 /nfs/dbraw/zinc/52/11/04/563521104.db2.gz FZHOCPWVYRZTAQ-IAQYHMDHSA-N 0 0 392.290 2.904 10 0 GFAERN CCn1c(Nc2ccc(C(N)=O)cc2)nnc(CSc2ccc(F)cc2)c1=O ZINC000334162071 206256154 /nfs/dbraw/zinc/25/61/54/206256154.db2.gz JAUWLABRKNKAEP-UHFFFAOYSA-N 0 0 399.451 2.932 10 0 GFAERN O=c1nc2n(Cc3c(F)cccc3Cl)cccc-2c(=O)n1Cc1ccccn1 ZINC000032641883 206257504 /nfs/dbraw/zinc/25/75/04/206257504.db2.gz FSBOCRDLLNTTTM-UHFFFAOYSA-N 0 0 396.809 2.794 10 0 GFAERN CN(Cc1cc[nH]n1)Cc1cccc(-c2nc(C3CCOCC3)cc(=O)[nH]2)c1 ZINC000023543774 206252523 /nfs/dbraw/zinc/25/25/23/206252523.db2.gz VFSAZNNNNXKVBF-UHFFFAOYSA-N 0 0 379.464 2.686 10 0 GFAERN C[C@@H](O)CCC[C@H](C(=O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000255995836 206285384 /nfs/dbraw/zinc/28/53/84/206285384.db2.gz PYEXHWGXGAGHAH-DNVCBOLYSA-N 0 0 381.428 2.946 10 0 GFAERN COc1c2cc(-c3ccc(O)cc3O)c(=O)oc2cc2c1CC[C@](C)(CO)O2 ZINC000003644978 206292739 /nfs/dbraw/zinc/29/27/39/206292739.db2.gz MOBCUWLJOZHPQL-OAQYLSRUSA-N 0 0 384.384 2.956 10 0 endogenous,in-man GFAERN Cc1nn(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)c1Br ZINC000000876501 206330783 /nfs/dbraw/zinc/33/07/83/206330783.db2.gz BBVKELVFEMUIOT-UHFFFAOYSA-N 0 0 376.210 2.604 10 0 GFAERN CCOc1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000000928670 206334616 /nfs/dbraw/zinc/33/46/16/206334616.db2.gz SPVMZRQPQCLWFK-UHFFFAOYSA-N 0 0 381.461 2.742 10 0 GFAERN CC(C)(CO)NC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000011818326 206834896 /nfs/dbraw/zinc/83/48/96/206834896.db2.gz JKDCGIUEYXDJEW-QGZVFWFLSA-N 0 0 394.519 2.736 10 0 GFAERN CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)nn1 ZINC000012245322 206874178 /nfs/dbraw/zinc/87/41/78/206874178.db2.gz WZZYJTJULMPSOI-IBGZPJMESA-N 0 0 397.523 2.550 10 0 GFAERN COC(=O)[C@@H](C)NC(=O)c1sc2ncnc(NCc3cccc(C)n3)c2c1C ZINC000012457086 206901976 /nfs/dbraw/zinc/90/19/76/206901976.db2.gz SNIMBGSVWULFQM-GFCCVEGCSA-N 0 0 399.476 2.607 10 0 GFAERN Cc1occc1C(=O)N1CC(=O)N(CC(C)C)C[C@H](OCc2ccccn2)C1 ZINC000014534337 207023769 /nfs/dbraw/zinc/02/37/69/207023769.db2.gz RNCWPJRYWAAEIH-SFHVURJKSA-N 0 0 385.464 2.509 10 0 GFAERN CNC(=O)c1cn(CCC(C)C)cc(C(=O)N[C@@H](C)c2cccs2)c1=O ZINC000014953654 207032222 /nfs/dbraw/zinc/03/22/22/207032222.db2.gz CNAYPTGOJXZGEN-ZDUSSCGKSA-N 0 0 375.494 2.807 10 0 GFAERN CSc1ccc(CC(=O)N2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cc1 ZINC000014949087 207032652 /nfs/dbraw/zinc/03/26/52/207032652.db2.gz SHIZZNTVKZBPFL-SFHVURJKSA-N 0 0 390.549 2.829 10 0 GFAERN C[C@H](CCn1cccn1)NC(=O)c1coc(CN2CCc3ccccc3C2)n1 ZINC000019772124 207161164 /nfs/dbraw/zinc/16/11/64/207161164.db2.gz PKSIWPIKDQUIHX-MRXNPFEDSA-N 0 0 379.464 2.638 10 0 GFAERN CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cnc2cc(Cl)ccc2c1O ZINC000020109554 207177636 /nfs/dbraw/zinc/17/76/36/207177636.db2.gz HRAYXIFSKINPEW-LBPRGKRZSA-N 0 0 389.883 2.901 10 0 GFAERN O=C(c1ccc(NCCc2ccccn2)nc1)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000020325460 207188212 /nfs/dbraw/zinc/18/82/12/207188212.db2.gz UJROMDQAZQJIIP-SFHVURJKSA-N 0 0 390.491 2.880 10 0 GFAERN CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cccc2ccccc21 ZINC000020512937 207199526 /nfs/dbraw/zinc/19/95/26/207199526.db2.gz SCNUXPDZABIPGX-FQEVSTJZSA-N 0 0 381.520 2.735 10 0 GFAERN CC1=C(C(N)=O)[C@@H](c2ccc(COc3ccc(F)cc3F)o2)n2ncnc2N1 ZINC000020412992 207190940 /nfs/dbraw/zinc/19/09/40/207190940.db2.gz IYNKHLITEMYQPT-MRXNPFEDSA-N 0 0 387.346 2.503 10 0 GFAERN CCOCCCNC(=O)c1ccc2c(=O)[nH]c3c(-c4ccccc4)nnn3c2c1 ZINC000021867594 207239506 /nfs/dbraw/zinc/23/95/06/207239506.db2.gz VSPVBOFOHULXRU-UHFFFAOYSA-N 0 0 391.431 2.807 10 0 GFAERN CC(C)CCC(=O)N1CCN(c2nc3nccc(-c4cccs4)n3n2)CC1 ZINC000023314179 207273683 /nfs/dbraw/zinc/27/36/83/207273683.db2.gz HYELXYYXEJZSGE-UHFFFAOYSA-N 0 0 384.509 2.938 10 0 GFAERN CN1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@@H]1c1ccccc1 ZINC000023360706 207275963 /nfs/dbraw/zinc/27/59/63/207275963.db2.gz IOALHQVTLJSFFO-QGZVFWFLSA-N 0 0 378.432 2.954 10 0 GFAERN COc1ccccc1COC[C@H](O)Cn1c2cc(C)nn2c2ccccc2c1=O ZINC000024834812 207295666 /nfs/dbraw/zinc/29/56/66/207295666.db2.gz QXIDOSKKSZCRBO-QGZVFWFLSA-N 0 0 393.443 2.544 10 0 GFAERN CCc1ccccc1Nc1nnc(SCc2ccc(OC)cc2)n(N)c1=O ZINC000028535220 207344118 /nfs/dbraw/zinc/34/41/18/207344118.db2.gz UGPTWUACFXGNFV-UHFFFAOYSA-N 0 0 383.477 2.959 10 0 GFAERN CCOC(=O)[C@@H](C(C)=O)C(c1cc(F)cc(F)c1)[C@@H](C(C)=O)C(=O)OCC ZINC000066054496 207877110 /nfs/dbraw/zinc/87/71/10/207877110.db2.gz MSJLSONBWFGZRX-SJPCQFCGSA-N 0 0 384.375 2.585 10 0 GFAERN CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccccc1F ZINC000095074455 208152702 /nfs/dbraw/zinc/15/27/02/208152702.db2.gz ZLYQAIPNRHCNKE-HNNXBMFYSA-N 0 0 386.489 2.987 10 0 GFAERN CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)c2cnc3ccccc3n2)C1 ZINC000095084221 208152757 /nfs/dbraw/zinc/15/27/57/208152757.db2.gz TUFZKCCOTUVFDT-CYBMUJFWSA-N 0 0 377.466 2.661 10 0 GFAERN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H]1COc2ccccc2O1 ZINC000095075393 208153244 /nfs/dbraw/zinc/15/32/44/208153244.db2.gz UBWZDTYDWANOAA-RHSMWYFYSA-N 0 0 376.453 2.542 10 0 GFAERN COc1ccc(CN2C[C@@]3(CCCN3C(=O)OC(C)(C)C)C2=O)c(OC)c1 ZINC000095937418 208238883 /nfs/dbraw/zinc/23/88/83/208238883.db2.gz YVEXQNLCERIWJZ-FQEVSTJZSA-N 0 0 376.453 2.816 10 0 GFAERN Cc1ccc(S(=O)(=O)n2c(CO)cc3c2nccc3Br)cc1 ZINC000095937179 208239183 /nfs/dbraw/zinc/23/91/83/208239183.db2.gz XJBLBRBDWWWSEO-UHFFFAOYSA-N 0 0 381.251 2.837 10 0 GFAERN COc1cccc(CCC(=O)N[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C(C)C)c1 ZINC000096332401 208308730 /nfs/dbraw/zinc/30/87/30/208308730.db2.gz QTFSTOOHGJWCPV-FQEVSTJZSA-N 0 0 394.475 2.706 10 0 GFAERN O=S(=O)(/C=C\c1ccccc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000101323155 208390892 /nfs/dbraw/zinc/39/08/92/208390892.db2.gz KYWMGTLUQVDVCR-UVTDQMKNSA-N 0 0 395.502 2.660 10 0 GFAERN Cc1ncsc1-c1nc(C[S@](=O)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)no1 ZINC000230226730 209006173 /nfs/dbraw/zinc/00/61/73/209006173.db2.gz HOPPWUMQQYGHPY-OYLPWMKUSA-N 0 0 396.538 2.691 10 0 GFAERN COc1ccc(CN2C[C@H]3CN(C(=O)NCc4ccccc4)CCN3C2=O)cc1 ZINC000096269084 209013852 /nfs/dbraw/zinc/01/38/52/209013852.db2.gz QQMHFKYPUXLRFY-LJQANCHMSA-N 0 0 394.475 2.527 10 0 GFAERN CCOC(=O)CN1C(=O)CN(C(=O)Nc2ccc(OC)cc2)c2ccccc21 ZINC000085347932 136175265 /nfs/dbraw/zinc/17/52/65/136175265.db2.gz SAEKECDIZQGRAV-UHFFFAOYSA-N 0 0 383.404 2.643 10 0 GFAERN CC(=O)Nc1ccc(C2(C(=O)NCCCN3CCOCC3)CCCCC2)cc1 ZINC000065027405 222095193 /nfs/dbraw/zinc/09/51/93/222095193.db2.gz GCYBSBNXTNKMQW-UHFFFAOYSA-N 0 0 387.524 2.685 10 0 GFAERN O=C(CN1c2ccc(F)cc2C(=O)N2CCC[C@H]2C1=O)Nc1cccc(F)c1 ZINC000065306838 222121749 /nfs/dbraw/zinc/12/17/49/222121749.db2.gz MWLKVTFLHJMXDB-KRWDZBQOSA-N 0 0 385.370 2.555 10 0 GFAERN CC(=O)c1cc(I)nc(CNC(=O)OC(C)(C)C)c1 ZINC000095766625 222359621 /nfs/dbraw/zinc/35/96/21/222359621.db2.gz CHOVKOLYGNDTAG-UHFFFAOYSA-N 0 0 376.194 2.914 10 0 GFAERN CCn1c2ccccc2nc(N2CCC(C(=O)NCc3ccc(C)o3)CC2)c1=O ZINC000064873658 536005797 /nfs/dbraw/zinc/00/57/97/536005797.db2.gz YKRFDTHRVWNJJK-UHFFFAOYSA-N 0 0 394.475 2.851 10 0 GFAERN COc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000003360139 551093175 /nfs/dbraw/zinc/09/31/75/551093175.db2.gz NYSWCFIOYNVDDJ-UHFFFAOYSA-N 0 0 375.855 2.553 10 0 GFAERN COc1ccc2nc(NC(=O)CN3C(=S)NC(C)(C)C[C@H]3C)sc2c1 ZINC000003654842 551094555 /nfs/dbraw/zinc/09/45/55/551094555.db2.gz PKLOYMIRHCOMSG-SNVBAGLBSA-N 0 0 378.523 2.991 10 0 GFAERN C[C@@H](NC(=O)NCC(=O)Nc1cccnc1)c1cccc(Br)c1 ZINC000101606481 551197152 /nfs/dbraw/zinc/19/71/52/551197152.db2.gz VKZXMPULGIEOLI-LLVKDONJSA-N 0 0 377.242 2.843 10 0 GFAERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000107075404 551201368 /nfs/dbraw/zinc/20/13/68/551201368.db2.gz DJMSVYSEGNXVLI-CYBMUJFWSA-N 0 0 383.901 2.910 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NCCOc2cccc(Br)c2)ncn1 ZINC000110257308 551203473 /nfs/dbraw/zinc/20/34/73/551203473.db2.gz KQPKLWBPXLIGDY-AWEZNQCLSA-N 0 0 393.285 2.691 10 0 GFAERN CCOCCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1C ZINC000117368745 551214063 /nfs/dbraw/zinc/21/40/63/551214063.db2.gz YCWUXCXBOACOEF-LBPRGKRZSA-N 0 0 381.325 2.725 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cc(F)ccc1Br ZINC000119425731 551216319 /nfs/dbraw/zinc/21/63/19/551216319.db2.gz GKKSQKQULNAZQH-CYBMUJFWSA-N 0 0 381.249 2.936 10 0 GFAERN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1[C@H](C)COC[C@H]1C ZINC000120966927 551223657 /nfs/dbraw/zinc/22/36/57/551223657.db2.gz BUDFOLLIIUIUHZ-NXEZZACHSA-N 0 0 375.252 2.828 10 0 GFAERN Brc1cccc(-c2c[nH]c(CN3CC[C@H](N4CCOCC4)C3)n2)c1 ZINC000120960734 551223925 /nfs/dbraw/zinc/22/39/25/551223925.db2.gz ITFJJWZVOBEIOS-INIZCTEOSA-N 0 0 391.313 2.746 10 0 GFAERN Cc1cnn(C[C@H]2CN(Cc3cnc4ccc(Br)cn34)CCO2)c1 ZINC000122359796 551297314 /nfs/dbraw/zinc/29/73/14/551297314.db2.gz AQXQXXCGBQHWKS-MRXNPFEDSA-N 0 0 390.285 2.503 10 0 GFAERN CC[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCN1C[C@@H](C)O ZINC000122760398 551301699 /nfs/dbraw/zinc/30/16/99/551301699.db2.gz AJHOXSCPYKSRJO-TZMCWYRMSA-N 0 0 395.352 2.600 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(OC)c(Br)s1 ZINC000125260497 551321527 /nfs/dbraw/zinc/32/15/27/551321527.db2.gz DSSPSEAFMGVSGU-QMMMGPOBSA-N 0 0 385.287 2.938 10 0 GFAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000125656187 551322682 /nfs/dbraw/zinc/32/26/82/551322682.db2.gz VUHHXZWMSCDWFC-NSHDSACASA-N 0 0 378.629 2.984 10 0 GFAERN CCCn1cc(CN2CCCN(C(=O)C[C@@H]3CSCCS3)CC2)cn1 ZINC000126717954 551332046 /nfs/dbraw/zinc/33/20/46/551332046.db2.gz DELNRSQJWDPALR-QGZVFWFLSA-N 0 0 382.599 2.566 10 0 GFAERN C[C@@H](NC(=O)N(CCS(C)(=O)=O)C1CC1)c1ccccc1Br ZINC000126739427 551332431 /nfs/dbraw/zinc/33/24/31/551332431.db2.gz XEHCTPQTEGSTHC-LLVKDONJSA-N 0 0 389.315 2.729 10 0 GFAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2)s1 ZINC000126872736 551333838 /nfs/dbraw/zinc/33/38/38/551333838.db2.gz LRBMGYXTYIWPRU-JTQLQIEISA-N 0 0 387.914 2.870 10 0 GFAERN O=C(CCc1ccccc1Br)N1CCC[C@H](Cn2cncn2)C1 ZINC000127101995 551336597 /nfs/dbraw/zinc/33/65/97/551336597.db2.gz IMIHAYOQIIRPIJ-AWEZNQCLSA-N 0 0 377.286 2.912 10 0 GFAERN COC(=O)C[C@H](NC(=O)Nc1cccnn1)c1cccc(Br)c1 ZINC000151897477 551423130 /nfs/dbraw/zinc/42/31/30/551423130.db2.gz VFDXBGIFUOLDLA-LBPRGKRZSA-N 0 0 379.214 2.665 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc(C)nc3Br)C2)n1 ZINC000152214382 551428467 /nfs/dbraw/zinc/42/84/67/551428467.db2.gz JEBIVZHYQFPKDP-AWEZNQCLSA-N 0 0 392.301 2.913 10 0 GFAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000152341686 551431768 /nfs/dbraw/zinc/43/17/68/551431768.db2.gz NPVRTTAZKZGQMX-HNNXBMFYSA-N 0 0 391.269 2.793 10 0 GFAERN CCc1nnc([C@H]2CN(Cc3cc(Br)cc4c3OCC4)CCO2)[nH]1 ZINC000153687605 551458588 /nfs/dbraw/zinc/45/85/88/551458588.db2.gz BGDSHUOKULSJQC-CQSZACIVSA-N 0 0 393.285 2.638 10 0 GFAERN C[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1Br ZINC000153984004 551464531 /nfs/dbraw/zinc/46/45/31/551464531.db2.gz DKOACRLAUVSKHI-MFKMUULPSA-N 0 0 391.331 2.590 10 0 GFAERN C[C@H](CNC(=O)NCC1(c2ccccc2Br)CC1)N1CCOCC1 ZINC000154452585 551475720 /nfs/dbraw/zinc/47/57/20/551475720.db2.gz ILJPUIHVWKTDCD-CQSZACIVSA-N 0 0 396.329 2.501 10 0 GFAERN CS(=O)(=O)c1csc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000154653426 551480304 /nfs/dbraw/zinc/48/03/04/551480304.db2.gz ZFBANJWABUIODC-HOCLYGCPSA-N 0 0 379.503 2.880 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(Cl)cc1Cl ZINC000155159819 551493113 /nfs/dbraw/zinc/49/31/13/551493113.db2.gz DAYMPRKDHWQJLV-GFCCVEGCSA-N 0 0 385.251 2.761 10 0 GFAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000155564197 551502551 /nfs/dbraw/zinc/50/25/51/551502551.db2.gz AYQCDLMUXPRSGT-BZPMIXESSA-N 0 0 380.432 2.623 10 0 GFAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(C(F)(F)F)cc1Cl ZINC000155739903 551506943 /nfs/dbraw/zinc/50/69/43/551506943.db2.gz GBNNTTFVVOEQLU-SNVBAGLBSA-N 0 0 380.779 2.764 10 0 GFAERN C[C@@H](NC(=O)NC[C@H](C)CN1CCOCC1)c1cccc(Br)c1 ZINC000156176477 551516485 /nfs/dbraw/zinc/51/64/85/551516485.db2.gz YLXGLBIHRPQGAM-UONOGXRCSA-N 0 0 384.318 2.778 10 0 GFAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccc(O)c(Br)c1 ZINC000156552087 551524663 /nfs/dbraw/zinc/52/46/63/551524663.db2.gz WKWFESKOYOHZHV-LLVKDONJSA-N 0 0 392.253 2.981 10 0 GFAERN Cc1cccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1Br ZINC000156710316 551527582 /nfs/dbraw/zinc/52/75/82/551527582.db2.gz YVRVJKRTHFMCOQ-AWEZNQCLSA-N 0 0 397.294 2.995 10 0 GFAERN Cc1cc(Br)cc2cc(C(=O)N[C@@H]3CCc4ncnn4C3)oc21 ZINC000156781473 551527870 /nfs/dbraw/zinc/52/78/70/551527870.db2.gz SEQCUVYOLVJUAK-GFCCVEGCSA-N 0 0 375.226 2.840 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000157236080 551535418 /nfs/dbraw/zinc/53/54/18/551535418.db2.gz JTMIRWGGEZWVRQ-BXUZGUMPSA-N 0 0 384.274 2.563 10 0 GFAERN NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000159136565 551561440 /nfs/dbraw/zinc/56/14/40/551561440.db2.gz BCMHORCHXLTLKJ-GUYCJALGSA-N 0 0 389.297 2.805 10 0 GFAERN C[C@@H]1CN(C(=O)CSc2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000164091740 551624308 /nfs/dbraw/zinc/62/43/08/551624308.db2.gz DXCNRQRIQQHVDU-CJNGLKHVSA-N 0 0 399.354 2.720 10 0 GFAERN COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1cc(Br)ccc1C ZINC000171243290 551650944 /nfs/dbraw/zinc/65/09/44/551650944.db2.gz HSBRPRMVFIMPOH-LLVKDONJSA-N 0 0 390.299 2.720 10 0 GFAERN Cc1cc(NC(=O)CN2CCC[C@H](n3cncn3)C2)ccc1Br ZINC000171702221 551661256 /nfs/dbraw/zinc/66/12/56/551661256.db2.gz SSILTIVSTABOFV-AWEZNQCLSA-N 0 0 378.274 2.625 10 0 GFAERN Brc1csc(-c2noc(CN3CCC[C@@H](n4cncn4)C3)n2)c1 ZINC000171706020 551661495 /nfs/dbraw/zinc/66/14/95/551661495.db2.gz OTXMWGSTMKNCDJ-LLVKDONJSA-N 0 0 395.286 2.989 10 0 GFAERN C[C@H]1CN(CC(=O)Nc2ccc(I)cc2)CCS1 ZINC000171702682 551661647 /nfs/dbraw/zinc/66/16/47/551661647.db2.gz CIEUYJAVKYAOLW-JTQLQIEISA-N 0 0 376.263 2.667 10 0 GFAERN CCn1cc(Br)cc1C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000171858467 551665112 /nfs/dbraw/zinc/66/51/12/551665112.db2.gz MZUNCFRYCWGVHS-HNNXBMFYSA-N 0 0 395.301 2.625 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000172992092 551691676 /nfs/dbraw/zinc/69/16/76/551691676.db2.gz CRFHEFXPJPGZNQ-SECBINFHSA-N 0 0 393.408 2.547 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(Br)cc3Cl)CCO2)[nH]1 ZINC000173091286 551695583 /nfs/dbraw/zinc/69/55/83/551695583.db2.gz AHQFFLWPKFBGJB-LBPRGKRZSA-N 0 0 385.649 2.743 10 0 GFAERN C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)C[C@@H]1N1CCOCC1 ZINC000173395863 552084978 /nfs/dbraw/zinc/08/49/78/552084978.db2.gz RCZMTWQMHASMFI-WFASDCNBSA-N 0 0 392.297 2.723 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3sc(-c4cccs4)nc3C)CCO2)[nH]1 ZINC000173542635 552087748 /nfs/dbraw/zinc/08/77/48/552087748.db2.gz ZHNLAPNRULPBII-LLVKDONJSA-N 0 0 375.479 2.820 10 0 GFAERN COCc1cc(C(=O)N[C@@H](CC(=O)OC)c2cccc(Br)c2)no1 ZINC000173769916 552091477 /nfs/dbraw/zinc/09/14/77/552091477.db2.gz WUAOPSRDILDJEF-ZDUSSCGKSA-N 0 0 397.225 2.618 10 0 GFAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000173817891 552092753 /nfs/dbraw/zinc/09/27/53/552092753.db2.gz RPWZISVUOYLDIP-CQSZACIVSA-N 0 0 380.491 2.806 10 0 GFAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000173844496 552093601 /nfs/dbraw/zinc/09/36/01/552093601.db2.gz HUFVQURRGVZYRP-PILAGYSTSA-N 0 0 393.325 2.732 10 0 GFAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174359248 552102913 /nfs/dbraw/zinc/10/29/13/552102913.db2.gz MZNDHCQKCDFROF-CQSZACIVSA-N 0 0 380.217 2.806 10 0 GFAERN O=C(NCc1ccc(Br)c(F)c1)N1CCC[C@H](n2cncn2)C1 ZINC000174437426 552104063 /nfs/dbraw/zinc/10/40/63/552104063.db2.gz BLIIBFAVAVFRPW-LBPRGKRZSA-N 0 0 382.237 2.726 10 0 GFAERN Cc1ccc(S(=O)(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000175212157 552117535 /nfs/dbraw/zinc/11/75/35/552117535.db2.gz CSMKLTPMXPFUEW-KRWDZBQOSA-N 0 0 380.535 2.751 10 0 GFAERN O=C(Nc1ccccc1I)N[C@@H]1CCCn2ncnc21 ZINC000175862860 552130175 /nfs/dbraw/zinc/13/01/75/552130175.db2.gz XMEMUDVLMDEIKL-LLVKDONJSA-N 0 0 383.193 2.539 10 0 GFAERN CNc1snc(C)c1C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000176533104 552140790 /nfs/dbraw/zinc/14/07/90/552140790.db2.gz AEOYYIQVLJVEIA-CYBMUJFWSA-N 0 0 380.539 2.700 10 0 GFAERN COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000176811819 552146217 /nfs/dbraw/zinc/14/62/17/552146217.db2.gz YFZZRUCWTHNNJT-RKDXNWHRSA-N 0 0 398.706 2.909 10 0 GFAERN CCn1ccnc1CS(=O)(=O)c1nnc(-c2cccc(Cl)c2)n1CC ZINC000177311596 552152784 /nfs/dbraw/zinc/15/27/84/552152784.db2.gz BAMBHTCRMNWXCB-UHFFFAOYSA-N 0 0 379.873 2.809 10 0 GFAERN CC(C)c1csc(CNC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)n1 ZINC000177837973 552159547 /nfs/dbraw/zinc/15/95/47/552159547.db2.gz UGNRXBGWCYMLRP-CYBMUJFWSA-N 0 0 379.507 2.984 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1nnc2n1CCCC2 ZINC000178372099 552169846 /nfs/dbraw/zinc/16/98/46/552169846.db2.gz ZSYILZWZQBZJAW-SECBINFHSA-N 0 0 382.251 2.737 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCC1(c2cccc(Br)c2)CCC1)C(C)C ZINC000178433220 552170285 /nfs/dbraw/zinc/17/02/85/552170285.db2.gz OHUJGDMACODISH-OAHLLOKOSA-N 0 0 396.329 2.941 10 0 GFAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)C2)c1 ZINC000179361435 552191249 /nfs/dbraw/zinc/19/12/49/552191249.db2.gz PRDKGUPCWVRYAO-GFCCVEGCSA-N 0 0 379.873 2.747 10 0 GFAERN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000179840100 552204524 /nfs/dbraw/zinc/20/45/24/552204524.db2.gz BDLBLCLURBLXQN-JKSUJKDBSA-N 0 0 384.263 2.541 10 0 GFAERN COc1cc(Br)c(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c(OC)c1 ZINC000180226905 552217915 /nfs/dbraw/zinc/21/79/15/552217915.db2.gz RVJBURGPSBHOTL-GUYCJALGSA-N 0 0 399.329 2.619 10 0 GFAERN C[C@@H](CNC(=O)c1ccc(Br)cc1C(F)(F)F)N1CCOCC1 ZINC000180385184 552225005 /nfs/dbraw/zinc/22/50/05/552225005.db2.gz GYJFIMPMOJPHLH-JTQLQIEISA-N 0 0 395.219 2.918 10 0 GFAERN Cc1nc(CN2CCCN(Cc3c(F)cccc3Br)CC2)no1 ZINC000180478899 552227616 /nfs/dbraw/zinc/22/76/16/552227616.db2.gz JRPXPRSVSVCKIG-UHFFFAOYSA-N 0 0 383.265 2.988 10 0 GFAERN CC[C@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)CC[N@@H+]1C[C@@H](C)O ZINC000181180517 552248880 /nfs/dbraw/zinc/24/88/80/552248880.db2.gz VRBNARZZGFRFLR-YPMHNXCESA-N 0 0 381.527 2.576 10 0 GFAERN Brc1cc2c(cc1CN1CC[C@H](N3CCOCC3)C1)OCCCO2 ZINC000182357255 552281913 /nfs/dbraw/zinc/28/19/13/552281913.db2.gz PZZMQOGCOQEPDL-HNNXBMFYSA-N 0 0 397.313 2.517 10 0 GFAERN CN(CC(C)(CO)CO)C(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000183526239 552311930 /nfs/dbraw/zinc/31/19/30/552311930.db2.gz CHVBXBZENKHNBQ-HOCLYGCPSA-N 0 0 390.307 2.910 10 0 GFAERN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000183602280 552314391 /nfs/dbraw/zinc/31/43/91/552314391.db2.gz KJDDLMGHDJYFKW-NUTKFTJISA-N 0 0 387.307 2.860 10 0 GFAERN Cc1cnn(CCNC(=O)c2ncc(Br)cc2Br)c1 ZINC000183676322 552316151 /nfs/dbraw/zinc/31/61/51/552316151.db2.gz VKKVVUJOBHERBR-UHFFFAOYSA-N 0 0 388.063 2.542 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)/C=C/c1cccc(Cl)c1)CC2 ZINC000184155369 552328653 /nfs/dbraw/zinc/32/86/53/552328653.db2.gz QAOISEFXVMRVST-HVHJFMEUSA-N 0 0 380.901 2.960 10 0 GFAERN C[C@H](C(=O)N1Cc2cccc(Br)c2C1)N1C(=O)c2ccccc2C1=O ZINC000184233711 552330653 /nfs/dbraw/zinc/33/06/53/552330653.db2.gz QBPKCCGXJUYDMP-LLVKDONJSA-N 0 0 399.244 2.976 10 0 GFAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ncc(Br)cc1Br ZINC000184966214 552349206 /nfs/dbraw/zinc/34/92/06/552349206.db2.gz SZOZLNKYLMFXAN-OCAPTIKFSA-N 0 0 378.064 2.856 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)C12CCOCC2 ZINC000185157166 552355616 /nfs/dbraw/zinc/35/56/16/552355616.db2.gz GMAMRXKMGYEVOP-HZPDHXFCSA-N 0 0 391.892 2.873 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)C12CCOCC2 ZINC000185157132 552355890 /nfs/dbraw/zinc/35/58/90/552355890.db2.gz GMAMRXKMGYEVOP-JKSUJKDBSA-N 0 0 391.892 2.873 10 0 GFAERN CCc1csc([C@H]2CCCN(C(=O)NCCCCCS(C)(=O)=O)C2)n1 ZINC000186263363 552383451 /nfs/dbraw/zinc/38/34/51/552383451.db2.gz OQAQTFSLABXQAT-AWEZNQCLSA-N 0 0 387.571 2.809 10 0 GFAERN O=C(Nc1ccc(Cl)c(F)c1)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186300897 552384480 /nfs/dbraw/zinc/38/44/80/552384480.db2.gz KLHKHPXLIMSZFN-AAEUAGOBSA-N 0 0 382.844 2.714 10 0 GFAERN O=C(Nc1ccc(Cl)cc1F)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186297778 552384522 /nfs/dbraw/zinc/38/45/22/552384522.db2.gz MFHYTLGJGCUBCI-AAEUAGOBSA-N 0 0 382.844 2.714 10 0 GFAERN Cn1cc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc(Br)c1=O ZINC000186614076 552392419 /nfs/dbraw/zinc/39/24/19/552392419.db2.gz XHLPZZUWXVRGMM-ZDUSSCGKSA-N 0 0 380.246 2.630 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000186640827 552393063 /nfs/dbraw/zinc/39/30/63/552393063.db2.gz OUQAEEVATVBDEP-UHFFFAOYSA-N 0 0 389.279 2.770 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)c2ccc(OC)c(Br)n2)C12CCOCC2 ZINC000187076411 552405904 /nfs/dbraw/zinc/40/59/04/552405904.db2.gz XMRXWOCJQMZMKH-KBPBESRZSA-N 0 0 399.285 2.557 10 0 GFAERN CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]2c2csc(C)n2)s1 ZINC000188006245 552431018 /nfs/dbraw/zinc/43/10/18/552431018.db2.gz SOUNEBUWOCEESY-HNNXBMFYSA-N 0 0 399.563 2.717 10 0 GFAERN CC(=O)N(c1nc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1)C1CC1 ZINC000188055840 552432955 /nfs/dbraw/zinc/43/29/55/552432955.db2.gz VLLNGQWOIGNRQA-YOEHRIQHSA-N 0 0 377.535 2.928 10 0 GFAERN Cc1ccc(Br)cc1CNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000188233946 552440097 /nfs/dbraw/zinc/44/00/97/552440097.db2.gz XMSLJRUFZFJJRD-INIZCTEOSA-N 0 0 390.281 2.653 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000189189279 552465594 /nfs/dbraw/zinc/46/55/94/552465594.db2.gz XHFRHYOQWBOZCQ-JOYOIKCWSA-N 0 0 392.264 2.836 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1cccc(Br)c1 ZINC000189975327 552484301 /nfs/dbraw/zinc/48/43/01/552484301.db2.gz ZPMZBIXZZOORJT-DFBGVHRSSA-N 0 0 384.270 2.985 10 0 GFAERN O=C(Nc1cccc(Br)c1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190153985 552488735 /nfs/dbraw/zinc/48/87/35/552488735.db2.gz HRGLYFRJPZTDKS-AWEZNQCLSA-N 0 0 377.242 2.865 10 0 GFAERN Cc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1Br ZINC000190352734 552493435 /nfs/dbraw/zinc/49/34/35/552493435.db2.gz VYFAODAJRREXNH-HNNXBMFYSA-N 0 0 390.281 2.653 10 0 GFAERN C[C@@H]1CCN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@@H]1CO ZINC000190442468 552496639 /nfs/dbraw/zinc/49/66/39/552496639.db2.gz AJONICPVIVXLBM-NOZJJQNGSA-N 0 0 375.782 2.537 10 0 GFAERN CCn1cc([C@@H]2CN(CC(=O)Nc3ccccc3Br)CCO2)cn1 ZINC000190750048 552508102 /nfs/dbraw/zinc/50/81/02/552508102.db2.gz CICPUYCYUXKVJK-INIZCTEOSA-N 0 0 393.285 2.678 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3cccc(Br)c3C)CCO2)c1 ZINC000191625114 552533497 /nfs/dbraw/zinc/53/34/97/552533497.db2.gz KWIKPTFTWOWUKR-MRXNPFEDSA-N 0 0 392.297 2.733 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3nc(Br)ccc3C)C2)n1 ZINC000191678951 552534769 /nfs/dbraw/zinc/53/47/69/552534769.db2.gz GOAUCRUARNDOSF-AWEZNQCLSA-N 0 0 392.301 2.913 10 0 GFAERN Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCS[C@H](C)C1 ZINC000191948027 552543696 /nfs/dbraw/zinc/54/36/96/552543696.db2.gz CZDFSRCQRPQOBP-SECBINFHSA-N 0 0 375.263 2.799 10 0 GFAERN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000192063268 552548359 /nfs/dbraw/zinc/54/83/59/552548359.db2.gz HULVENBFQCXVEM-DQYPLSBCSA-N 0 0 387.307 2.860 10 0 GFAERN Cn1nc(Br)cc1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000192140205 552552936 /nfs/dbraw/zinc/55/29/36/552552936.db2.gz SMAXTIPQGHKBNA-HIFRSBDPSA-N 0 0 378.270 2.911 10 0 GFAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192185926 552554714 /nfs/dbraw/zinc/55/47/14/552554714.db2.gz OAQZKEINGVJGBO-LBPRGKRZSA-N 0 0 396.690 2.819 10 0 GFAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(Br)c2F)C1 ZINC000192223906 552556806 /nfs/dbraw/zinc/55/68/06/552556806.db2.gz IWQIXMVGJGMAMQ-SKDRFNHKSA-N 0 0 384.205 2.882 10 0 GFAERN C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2 ZINC000192826754 552975093 /nfs/dbraw/zinc/97/50/93/552975093.db2.gz KMBMNCOHRUQDDU-NSHDSACASA-N 0 0 392.253 2.905 10 0 GFAERN Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)c1F ZINC000193091283 552983154 /nfs/dbraw/zinc/98/31/54/552983154.db2.gz AMCBCKMSAFOIJH-ZYHUDNBSSA-N 0 0 387.249 2.502 10 0 GFAERN Cn1c(C[S@@](=O)Cc2cc3c(cc2Br)OCO3)nnc1C1CC1 ZINC000194127867 553012103 /nfs/dbraw/zinc/01/21/03/553012103.db2.gz CHOPZRUMUNHRCI-QHCPKHFHSA-N 0 0 398.282 2.633 10 0 GFAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC(c2cc[nH]n2)CC1 ZINC000194336261 553017694 /nfs/dbraw/zinc/01/76/94/553017694.db2.gz IVPNFOSVVWSEFP-MRXNPFEDSA-N 0 0 376.254 2.882 10 0 GFAERN CCc1nnc(CN2CCN(Cc3ccc(Br)s3)CC2)n1C ZINC000195027615 553036371 /nfs/dbraw/zinc/03/63/71/553036371.db2.gz IPUFGZDGFFJJMS-UHFFFAOYSA-N 0 0 384.347 2.519 10 0 GFAERN O=C(Nc1ccc(Br)cc1F)C(=O)N[C@H]1COc2ccccc21 ZINC000195275513 553043824 /nfs/dbraw/zinc/04/38/24/553043824.db2.gz HPZQGSLPYBAJDA-ZDUSSCGKSA-N 0 0 379.185 2.777 10 0 GFAERN O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238968377 553087138 /nfs/dbraw/zinc/08/71/38/553087138.db2.gz ZELFOFFHDRSNGL-SNVBAGLBSA-N 0 0 389.296 2.748 10 0 GFAERN C[C@@H]1CN([C@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000245586730 553093312 /nfs/dbraw/zinc/09/33/12/553093312.db2.gz MOSQLVITBZYYMB-VXGBXAGGSA-N 0 0 382.473 2.922 10 0 GFAERN COC(=O)[C@H](C)CS(=O)(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000245964838 553100476 /nfs/dbraw/zinc/10/04/76/553100476.db2.gz DMEIAASAFRRYLR-GBIKHYSHSA-N 0 0 380.293 2.825 10 0 GFAERN O[C@H](COc1ccc(Br)cc1)CN1CCO[C@@H](c2nccs2)C1 ZINC000246064344 553101465 /nfs/dbraw/zinc/10/14/65/553101465.db2.gz ASEDZEPEEDXIRG-DZGCQCFKSA-N 0 0 399.310 2.719 10 0 GFAERN CC[C@H](Cc1ccccc1Br)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246078326 553102037 /nfs/dbraw/zinc/10/20/37/553102037.db2.gz GAQFNHMQGZYWBO-ARFHVFGLSA-N 0 0 397.357 2.931 10 0 GFAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246903920 553115153 /nfs/dbraw/zinc/11/51/53/553115153.db2.gz HYQVQVKGBGZAOY-GDZNZVCISA-N 0 0 387.307 2.940 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C[C@@H]1C ZINC000246884282 553115238 /nfs/dbraw/zinc/11/52/38/553115238.db2.gz WSFFQAZSEVCJNA-GJZGRUSLSA-N 0 0 395.341 2.784 10 0 GFAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000248874594 553136102 /nfs/dbraw/zinc/13/61/02/553136102.db2.gz LUFRPVYPKVKDNZ-KOLCDFICSA-N 0 0 393.292 2.549 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000262767611 553175173 /nfs/dbraw/zinc/17/51/73/553175173.db2.gz GQXJUGKUNOLYAZ-UHFFFAOYSA-N 0 0 395.253 2.863 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(CCOc2ccccc2Br)CC1 ZINC000263581164 553189591 /nfs/dbraw/zinc/18/95/91/553189591.db2.gz WVARCZVPKLUNER-CQSZACIVSA-N 0 0 385.302 2.699 10 0 GFAERN O=S(=O)(NC1CC1)c1ccc(CNc2c(F)c(F)nc(F)c2F)cc1 ZINC000301619368 563408984 /nfs/dbraw/zinc/40/89/84/563408984.db2.gz XAGHLYNKZBXYED-UHFFFAOYSA-N 0 0 375.347 2.691 10 0 GFAERN CNC(=O)[C@H](Nc1cc(C(=O)OC)nc2ccc(Br)cc21)C(C)C ZINC000301809475 563413027 /nfs/dbraw/zinc/41/30/27/563413027.db2.gz YXTHWFZUHLVYOK-OAHLLOKOSA-N 0 0 394.269 2.966 10 0 GFAERN CCCNc1ncc(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)cn1 ZINC000220488211 570387056 /nfs/dbraw/zinc/38/70/56/570387056.db2.gz XVRLCJIIYGCJIR-HXUWFJFHSA-N 0 0 378.480 2.593 10 0 GFAERN CC[C@@H](C(=O)NCc1ccccc1OC)n1nc(C)n2c3ccoc3cc2c1=O ZINC000005149783 570499448 /nfs/dbraw/zinc/49/94/48/570499448.db2.gz YAQDGEZQJKFUGT-HNNXBMFYSA-N 0 0 394.431 2.827 10 0 GFAERN COCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)C(C)C ZINC000036150671 570552100 /nfs/dbraw/zinc/55/21/00/570552100.db2.gz NBXKEUKGZMPBKZ-UHFFFAOYSA-N 0 0 387.480 2.809 10 0 GFAERN CCC(=O)N1CCC([C@@H](NC(=O)c2cccc(C)c2)C(=O)N[C@H](C)CC)CC1 ZINC000036211969 570572765 /nfs/dbraw/zinc/57/27/65/570572765.db2.gz HSNDJBUHNNUBGM-OXQOHEQNSA-N 0 0 387.524 2.657 10 0 GFAERN CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NCc2ccccn2)[C@H](c2ccc(OC)cc2)[N@@H+]1C ZINC000067758698 570790056 /nfs/dbraw/zinc/79/00/56/570790056.db2.gz ZCIXWQKORHGVNY-IPJJNNNSSA-N 0 0 397.475 2.633 10 0 GFAERN Cc1ccc2nc(-c3cccn3C)cc(C(=O)N3CCC(C(N)=O)CC3)c2c1 ZINC000004345399 570829176 /nfs/dbraw/zinc/82/91/76/570829176.db2.gz SVWAWXLTRFTLOA-UHFFFAOYSA-N 0 0 376.460 2.886 10 0 GFAERN Cc1noc(C)c1S(=O)(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065169225 570842770 /nfs/dbraw/zinc/84/27/70/570842770.db2.gz LLGCMDVZXLEHCG-UHFFFAOYSA-N 0 0 388.424 2.635 10 0 GFAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000043827216 654651656 /nfs/dbraw/zinc/65/16/56/654651656.db2.gz YKCOMUAJHMHIMW-IUCAKERBSA-N 0 0 384.807 2.838 10 0 GFAERN CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000046058467 654674410 /nfs/dbraw/zinc/67/44/10/654674410.db2.gz FDGGKGXFVUADDD-AWEZNQCLSA-N 0 0 389.323 2.927 10 0 GFAERN CCN(C(=O)N[C@@H](C)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000049789277 654716101 /nfs/dbraw/zinc/71/61/01/654716101.db2.gz MRCIMJSDHRWCHC-NWDGAFQWSA-N 0 0 389.315 2.729 10 0 GFAERN CN(C(=O)Cc1ccc(Br)s1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122197048 654731198 /nfs/dbraw/zinc/73/11/98/654731198.db2.gz GOBZVESOFSWQLU-GFCCVEGCSA-N 0 0 395.326 2.971 10 0 GFAERN CCn1cnnc1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000123992497 654768265 /nfs/dbraw/zinc/76/82/65/654768265.db2.gz VZUGTOCOWPGGPH-UHFFFAOYSA-N 0 0 386.880 2.800 10 0 GFAERN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1ccc(Br)cc1 ZINC000058113414 654815351 /nfs/dbraw/zinc/81/53/51/654815351.db2.gz SHTWTCBBIXZPPZ-LRDDRELGSA-N 0 0 390.281 2.906 10 0 GFAERN CCCOc1ccc(Br)cc1CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000127854384 654836148 /nfs/dbraw/zinc/83/61/48/654836148.db2.gz ILBQVZGFTLERTG-LBPRGKRZSA-N 0 0 376.316 2.857 10 0 GFAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)c2ccc(Cl)s2)s1 ZINC000061632076 654841188 /nfs/dbraw/zinc/84/11/88/654841188.db2.gz SUDMMEICCBJDAI-MRVPVSSYSA-N 0 0 393.943 2.932 10 0 GFAERN COC(=O)[C@@H]1CCCN(Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000066832087 654916882 /nfs/dbraw/zinc/91/68/82/654916882.db2.gz QXUOHMGGUYWHCU-SECBINFHSA-N 0 0 386.271 2.946 10 0 GFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000131983650 654923857 /nfs/dbraw/zinc/92/38/57/654923857.db2.gz PRKWAMANURVDRY-CYBMUJFWSA-N 0 0 386.882 2.761 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H]1c1cccs1 ZINC000068782787 654967820 /nfs/dbraw/zinc/96/78/20/654967820.db2.gz KSTRBTNAPWDWEV-OCCSQVGLSA-N 0 0 382.482 2.918 10 0 GFAERN COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(C)(C)C ZINC000097588824 655036444 /nfs/dbraw/zinc/03/64/44/655036444.db2.gz JQWCEATXZUFHGW-NSHDSACASA-N 0 0 398.706 2.969 10 0 GFAERN COCC[C@@H](C)NC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000101991932 655049277 /nfs/dbraw/zinc/04/92/77/655049277.db2.gz NIKXDLNONWPNLD-RISCZKNCSA-N 0 0 387.274 2.778 10 0 GFAERN CCc1nccn1[C@H]1CCCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000106214540 655104934 /nfs/dbraw/zinc/10/49/34/655104934.db2.gz UXJTXYIFDVPBAM-AWEZNQCLSA-N 0 0 392.301 2.879 10 0 GFAERN Cc1ccc([C@H](CNC(=O)C[C@H]2CSCCS2)N2CCOCC2)s1 ZINC000160530803 655122930 /nfs/dbraw/zinc/12/29/30/655122930.db2.gz PJVNBQFELGKZIL-GJZGRUSLSA-N 0 0 386.608 2.785 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3ccc(Br)cc3)CC2)cn1 ZINC000109655467 655149782 /nfs/dbraw/zinc/14/97/82/655149782.db2.gz HTDQWFWDGLFPLD-UHFFFAOYSA-N 0 0 377.286 2.531 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cc(Br)c[nH]3)CC2)cs1 ZINC000109650822 655149908 /nfs/dbraw/zinc/14/99/08/655149908.db2.gz LRQVZPXQWCCGEW-UHFFFAOYSA-N 0 0 383.315 2.890 10 0 GFAERN CC(=O)N(c1nn(CN2CCC[C@H]2c2cnn(C)c2)c(=S)s1)C1CC1 ZINC000171360570 655151188 /nfs/dbraw/zinc/15/11/88/655151188.db2.gz WIISCPUIGZEGSO-AWEZNQCLSA-N 0 0 378.527 2.717 10 0 GFAERN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111082485 655164170 /nfs/dbraw/zinc/16/41/70/655164170.db2.gz VAFXNIPPPOKMTL-CQSZACIVSA-N 0 0 389.253 2.668 10 0 GFAERN COCCN1CCN(C(=O)c2sc(C)c(Br)c2OC)C[C@@H]1C ZINC000173549023 655174351 /nfs/dbraw/zinc/17/43/51/655174351.db2.gz JYUBLPPAFNZENF-JTQLQIEISA-N 0 0 391.331 2.620 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)Cc3sc(=S)[nH]c3C)CC2)n1 ZINC000112058005 655181327 /nfs/dbraw/zinc/18/13/27/655181327.db2.gz QNJJZJBIUZZLCO-NSHDSACASA-N 0 0 381.527 2.507 10 0 GFAERN C[C@@H](C(=O)OCc1ccc(Br)cn1)N1C(=O)c2ccccc2C1=O ZINC000112207323 655184376 /nfs/dbraw/zinc/18/43/76/655184376.db2.gz PDQWLQHLGCKTOE-JTQLQIEISA-N 0 0 389.205 2.572 10 0 GFAERN COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000112362289 655189663 /nfs/dbraw/zinc/18/96/63/655189663.db2.gz IKEYLNOOXUFOON-GFCCVEGCSA-N 0 0 385.873 2.683 10 0 GFAERN CC(C)(Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112748363 655197090 /nfs/dbraw/zinc/19/70/90/655197090.db2.gz HFEWSDBEEYYZFP-AWEZNQCLSA-N 0 0 392.301 2.676 10 0 GFAERN O=C(NCCc1cc(Br)ccc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000174363004 655200302 /nfs/dbraw/zinc/20/03/02/655200302.db2.gz NVRLAXSGVKBHFK-CQSZACIVSA-N 0 0 396.264 2.769 10 0 GFAERN CN(C)c1ncc(Br)cc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000113183015 655204631 /nfs/dbraw/zinc/20/46/31/655204631.db2.gz WZMNSRXICYEVNP-LBPRGKRZSA-N 0 0 397.298 2.580 10 0 GFAERN Clc1ccc(Cc2nnc(N3CCO[C@@H](Cn4cccn4)C3)s2)cc1 ZINC000275005912 655211206 /nfs/dbraw/zinc/21/12/06/655211206.db2.gz DUVCOCKRIQGFGZ-OAHLLOKOSA-N 0 0 375.885 2.884 10 0 GFAERN C[C@H]1CN(C(=O)NCCc2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000175722215 655226101 /nfs/dbraw/zinc/22/61/01/655226101.db2.gz BJHCCMDDIFMLLW-SUMWQHHRSA-N 0 0 386.323 2.898 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc3ccc(Br)cc3[nH]1)CC2 ZINC000114872500 655229961 /nfs/dbraw/zinc/22/99/61/655229961.db2.gz SEMCGLZOMOCTEP-LBPRGKRZSA-N 0 0 388.269 2.829 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCOc1cccc(Br)c1)CC2 ZINC000114866262 655229965 /nfs/dbraw/zinc/22/99/65/655229965.db2.gz LFHWFYIYULJIMK-ZDUSSCGKSA-N 0 0 393.285 2.503 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(Br)c(F)c1)CC2 ZINC000114948118 655230735 /nfs/dbraw/zinc/23/07/35/655230735.db2.gz BXEVSFGEDHXNHU-NSHDSACASA-N 0 0 396.264 2.556 10 0 GFAERN O=C(CCNC(=O)N[C@@H]1CCCC[C@@H]1CO)Nc1ccc(Br)cc1 ZINC000175988041 655231596 /nfs/dbraw/zinc/23/15/96/655231596.db2.gz KVGNLRTZUVRINS-IUODEOHRSA-N 0 0 398.301 2.628 10 0 GFAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000176120167 655235498 /nfs/dbraw/zinc/23/54/98/655235498.db2.gz ADXNGYIDBJMWNH-QWRGUYRKSA-N 0 0 379.463 2.596 10 0 GFAERN COC(=O)C[C@H](NC(=O)CC1CCOCC1)c1cccc(Br)c1 ZINC000117134736 655260757 /nfs/dbraw/zinc/26/07/57/655260757.db2.gz CWXSVADKCRKBNJ-HNNXBMFYSA-N 0 0 384.270 2.986 10 0 GFAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000177438733 655277112 /nfs/dbraw/zinc/27/71/12/655277112.db2.gz HXZUZDSWYAZCAD-VXGBXAGGSA-N 0 0 388.917 2.666 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000177587076 655282633 /nfs/dbraw/zinc/28/26/33/655282633.db2.gz LJYMLAWHFATZJZ-SECBINFHSA-N 0 0 396.278 2.939 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccccc1Br ZINC000177588003 655282876 /nfs/dbraw/zinc/28/28/76/655282876.db2.gz FGPHVHLHEOGOIG-JTQLQIEISA-N 0 0 378.288 2.800 10 0 GFAERN C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000178321635 655301410 /nfs/dbraw/zinc/30/14/10/655301410.db2.gz FUWLNMRKWUZCGU-LBPRGKRZSA-N 0 0 392.253 2.504 10 0 GFAERN COc1ncc(NC(=O)N[C@H](C)c2cccc(Br)c2)cc1C(N)=O ZINC000119707640 655311871 /nfs/dbraw/zinc/31/18/71/655311871.db2.gz ROJISDZZYNOJNS-SECBINFHSA-N 0 0 393.241 2.834 10 0 GFAERN COC(=O)C[C@H](NC(=O)/C=C/c1ccncn1)c1cccc(Br)c1 ZINC000181908076 655341301 /nfs/dbraw/zinc/34/13/01/655341301.db2.gz ZAVZGCWPHZWFKA-NFAHFFEMSA-N 0 0 390.237 2.673 10 0 GFAERN O=S1(=O)CC[C@H]2CN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C[C@H]21 ZINC000329208063 655387646 /nfs/dbraw/zinc/38/76/46/655387646.db2.gz YOUHZADPOMUTSJ-TVQRCGJNSA-N 0 0 388.276 2.662 10 0 GFAERN C[C@H]1C(=O)NCCCN1Cn1nc2c(Cl)cc(C(F)(F)F)cn2c1=S ZINC000190712960 655394397 /nfs/dbraw/zinc/39/43/97/655394397.db2.gz JOXFJVBMAXAZFF-QMMMGPOBSA-N 0 0 393.822 2.705 10 0 GFAERN CCOC(=O)C[C@H](NC(=O)c1cc(Br)nn1C)c1ccccc1C ZINC000192366526 655404930 /nfs/dbraw/zinc/40/49/30/655404930.db2.gz GYPHAYHTMSWDSV-ZDUSSCGKSA-N 0 0 394.269 2.915 10 0 GFAERN Cc1ccc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000192511577 655405716 /nfs/dbraw/zinc/40/57/16/655405716.db2.gz MGEKTGZWGCFRHZ-LLVKDONJSA-N 0 0 377.853 2.714 10 0 GFAERN CCN1C(=S)N=NC1[C@@H]1CCCN(S(=O)(=O)C=Cc2ccccc2)C1 ZINC000255507554 655439211 /nfs/dbraw/zinc/43/92/11/655439211.db2.gz YUUPKLIEZRTONV-KUGGDMIFSA-N 0 0 378.523 2.767 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000262694303 655446697 /nfs/dbraw/zinc/44/66/97/655446697.db2.gz FRDGGULWBNCVID-UHFFFAOYSA-N 0 0 380.535 2.833 10 0 GFAERN CCc1nnc([C@H]2CN(S(=O)(=O)/C=C\c3ccc(Cl)cc3)CCO2)o1 ZINC000779884608 656955835 /nfs/dbraw/zinc/95/58/35/656955835.db2.gz SDGSRXPLZDCFBW-JKEYDSJLSA-N 0 0 383.857 2.659 10 0 GFAERN COC(=O)c1cc(Br)c(N2CCO[C@H](c3nccs3)C2)nc1C ZINC000892245168 663366985 /nfs/dbraw/zinc/36/69/85/663366985.db2.gz QIKNVPYCRLEDNJ-LBPRGKRZSA-N 0 0 398.282 2.974 10 0 GFAERN Cc1cc(OS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n(-c2ccc(C)cc2)n1 ZINC000011691550 206226822 /nfs/dbraw/zinc/22/68/22/206226822.db2.gz HVXGRVBHDPZDLF-UHFFFAOYSA-N 0 0 399.428 2.702 10 0 GFAERN O=C(c1n[nH]c2ccccc21)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000328615957 206232882 /nfs/dbraw/zinc/23/28/82/206232882.db2.gz BFTGYMPEVZNTRN-HNNXBMFYSA-N 0 0 377.448 2.852 10 0 GFAERN CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cccc(C(=O)N(C)C)c2)n1C ZINC000328624802 206234303 /nfs/dbraw/zinc/23/43/03/206234303.db2.gz COZHWXLQRALJBE-IBGZPJMESA-N 0 0 382.508 2.814 10 0 GFAERN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)N2CCC(C)CC2)nc3C)c(C)c1 ZINC000013970974 206262112 /nfs/dbraw/zinc/26/21/12/206262112.db2.gz DGVGYNJIVYCXHI-UHFFFAOYSA-N 0 0 393.491 2.766 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2F)cc1 ZINC000001379262 206377352 /nfs/dbraw/zinc/37/73/52/206377352.db2.gz YTMVWWQVMBMIOY-GOSISDBHSA-N 0 0 376.453 2.604 10 0 GFAERN O=C1CCCCN1c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1 ZINC000012198706 206867869 /nfs/dbraw/zinc/86/78/69/206867869.db2.gz CAAYEUNPSPRVBH-UHFFFAOYSA-N 0 0 376.453 2.864 10 0 GFAERN COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3ncnn32)c(OC)c1 ZINC000013131224 206968638 /nfs/dbraw/zinc/96/86/38/206968638.db2.gz NROJJQWVTKSGGL-SFHVURJKSA-N 0 0 392.419 2.618 10 0 GFAERN CSc1ccc(CC(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)cc1 ZINC000014949089 207033321 /nfs/dbraw/zinc/03/33/21/207033321.db2.gz SHIZZNTVKZBPFL-GOSISDBHSA-N 0 0 390.549 2.829 10 0 GFAERN O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)NCc1cccs1 ZINC000020574662 207204665 /nfs/dbraw/zinc/20/46/65/207204665.db2.gz KAKOZSJGGCQBTR-UHFFFAOYSA-N 0 0 398.419 2.959 10 0 GFAERN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)n1ncn2c3ccoc3cc2c1=O ZINC000020863460 207217270 /nfs/dbraw/zinc/21/72/70/207217270.db2.gz UKNFWBIXFRMTMA-HUUCEWRRSA-N 0 0 378.432 2.941 10 0 GFAERN Cc1ccc(NC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1C ZINC000020901517 207219868 /nfs/dbraw/zinc/21/98/68/207219868.db2.gz IFGQNSBHXFAQQU-OAHLLOKOSA-N 0 0 385.493 2.889 10 0 GFAERN CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1 ZINC000022047274 207246030 /nfs/dbraw/zinc/24/60/30/207246030.db2.gz OKAAPNNOKHRHLI-QRVBRYPASA-N 0 0 384.384 2.747 10 0 GFAERN COc1ccc(N)cc1CNS(=O)(=O)c1ccc(Br)s1 ZINC000038033406 207259342 /nfs/dbraw/zinc/25/93/42/207259342.db2.gz DTXNPEGOHLIZPF-UHFFFAOYSA-N 0 0 377.285 2.580 10 0 GFAERN COCCCNC(=O)c1ccc(N[C@@H]2c3ccccc3C(=O)N2CCOC)cc1 ZINC000035730791 207500474 /nfs/dbraw/zinc/50/04/74/207500474.db2.gz WJQGJTFCIDJXPN-FQEVSTJZSA-N 0 0 397.475 2.666 10 0 GFAERN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCC(C)C)C2)c1C ZINC000085620732 208100250 /nfs/dbraw/zinc/10/02/50/208100250.db2.gz SIEGLUOHFIYIND-MRXNPFEDSA-N 0 0 391.512 2.823 10 0 GFAERN COC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000081974142 208076645 /nfs/dbraw/zinc/07/66/45/208076645.db2.gz NLZDJMITIXIHKC-JKSUJKDBSA-N 0 0 392.452 2.711 10 0 GFAERN CCCC(CCC)N1Cc2c(cc(N(C)S(C)(=O)=O)cc2C(=O)OC)C1=O ZINC000089211142 208104180 /nfs/dbraw/zinc/10/41/80/208104180.db2.gz AFJOJOXNCCXBAD-UHFFFAOYSA-N 0 0 396.509 2.794 10 0 GFAERN Cc1ccccc1CSc1nc(N)cc(NC[C@H]2CCS(=O)(=O)C2)n1 ZINC000095382624 208171674 /nfs/dbraw/zinc/17/16/74/208171674.db2.gz KLMTVYNUZFUBQI-CYBMUJFWSA-N 0 0 378.523 2.506 10 0 GFAERN COCCCN1CC2(CCC1=O)CCN(C(=O)c1ccc3nccnc3c1)CC2 ZINC000091914790 208141970 /nfs/dbraw/zinc/14/19/70/208141970.db2.gz NZOGYTNZMOCWBJ-UHFFFAOYSA-N 0 0 396.491 2.511 10 0 GFAERN CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000095075183 208153180 /nfs/dbraw/zinc/15/31/80/208153180.db2.gz YJOKCORUSHRHNT-CQSZACIVSA-N 0 0 393.509 2.714 10 0 GFAERN Cc1oc(CNC(=O)c2ccc3[nH]cnc3c2)nc1C(=O)N1CCC(C)CC1 ZINC000096310675 208307250 /nfs/dbraw/zinc/30/72/50/208307250.db2.gz DUAJOHUAMCCEEN-UHFFFAOYSA-N 0 0 381.436 2.661 10 0 GFAERN Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)[C@@H](C)C2 ZINC000041085459 209094781 /nfs/dbraw/zinc/09/47/81/209094781.db2.gz KEBROIDDIGRKSR-NSHDSACASA-N 0 0 380.495 2.581 10 0 GFAERN Cc1nn2c(nc(COC(=O)c3ccccc3Br)cc2=O)s1 ZINC000041078235 209094329 /nfs/dbraw/zinc/09/43/29/209094329.db2.gz PDLADXZVDXFOKO-UHFFFAOYSA-N 0 0 380.223 2.579 10 0 GFAERN O=S(=O)(Cc1ccccc1)NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096112867 209008658 /nfs/dbraw/zinc/00/86/58/209008658.db2.gz DGLXSTYFGBUQDP-SFHVURJKSA-N 0 0 383.473 2.569 10 0 GFAERN O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCc1cccnc1 ZINC000065245172 136161385 /nfs/dbraw/zinc/16/13/85/136161385.db2.gz QHYLLJHBOSHNFB-INIZCTEOSA-N 0 0 380.496 2.759 10 0 GFAERN O=C1CN(c2ccccc2)C(=O)[C@@H](c2cccnc2)N1c1ccc2c(c1)OCO2 ZINC000065273842 136162249 /nfs/dbraw/zinc/16/22/49/136162249.db2.gz JHTQBOSUQIQHCM-OAQYLSRUSA-N 0 0 387.395 2.931 10 0 GFAERN Cn1ncc2c1nc(C(=O)Nc1ccc(Cl)cc1)nc2N1CCSCC1 ZINC000065257182 136162304 /nfs/dbraw/zinc/16/23/04/136162304.db2.gz CPFXJDLVACKXOQ-UHFFFAOYSA-N 0 0 388.884 2.822 10 0 GFAERN O=C(COc1ccc(Cl)cc1Cl)Nc1cnc(N2CCOCC2)nc1 ZINC000224250076 136206558 /nfs/dbraw/zinc/20/65/58/136206558.db2.gz PUGQKUBKJMHPTM-UHFFFAOYSA-N 0 0 383.235 2.638 10 0 GFAERN CC(=O)c1cccc(NC(=O)c2nc3ccccc3nc2N2CCN(C)CC2)c1 ZINC000064979296 534892806 /nfs/dbraw/zinc/89/28/06/534892806.db2.gz PPKLXEZFVDSJIQ-UHFFFAOYSA-N 0 0 389.459 2.837 10 0 GFAERN CCc1ccccc1OC1CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3C)C1 ZINC000097099571 535964148 /nfs/dbraw/zinc/96/41/48/535964148.db2.gz XBOHNBRZALLIGA-UHFFFAOYSA-N 0 0 381.432 2.899 10 0 GFAERN CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)CC1 ZINC000046597748 551151817 /nfs/dbraw/zinc/15/18/17/551151817.db2.gz NOPABWROKICGCZ-CHWSQXEVSA-N 0 0 386.949 2.704 10 0 GFAERN Cc1cc(NC(=O)C(=O)N[C@H]2COc3ccccc32)ccc1Br ZINC000060731821 551183729 /nfs/dbraw/zinc/18/37/29/551183729.db2.gz LMFYBURBLXFWFX-AWEZNQCLSA-N 0 0 375.222 2.946 10 0 GFAERN C[C@@H](CNC(=O)NC(C)(C)Cc1ccc(Br)cc1)N1CCOCC1 ZINC000067389268 551188289 /nfs/dbraw/zinc/18/82/89/551188289.db2.gz RGFMKLCHNUKPMS-AWEZNQCLSA-N 0 0 398.345 2.790 10 0 GFAERN O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCN2CCCC[C@H]2C1 ZINC000106635302 551201199 /nfs/dbraw/zinc/20/11/99/551201199.db2.gz YWNPEVFIOVJYJK-INIZCTEOSA-N 0 0 389.297 2.945 10 0 GFAERN Cn1cc([C@@H]2CCN(CC(=O)Nc3ccc(Br)cc3F)C2)cn1 ZINC000116321853 551211640 /nfs/dbraw/zinc/21/16/40/551211640.db2.gz OWZNXCNWOMCFNT-LLVKDONJSA-N 0 0 381.249 2.750 10 0 GFAERN Cn1cc([C@H]2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C2)cn1 ZINC000116311125 551212026 /nfs/dbraw/zinc/21/20/26/551212026.db2.gz KXZJURBUVVYGLZ-LBPRGKRZSA-N 0 0 388.320 2.990 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000116328414 551212391 /nfs/dbraw/zinc/21/23/91/551212391.db2.gz FDAIXISVMZVBMC-LLVKDONJSA-N 0 0 389.445 2.549 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000116370015 551213185 /nfs/dbraw/zinc/21/31/85/551213185.db2.gz UEHGJIYEQUMHHP-GFCCVEGCSA-N 0 0 384.299 2.669 10 0 GFAERN COCCN1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)C[C@@H]1C ZINC000117476968 551214189 /nfs/dbraw/zinc/21/41/89/551214189.db2.gz VCLGPWCYZRQGBL-KBPBESRZSA-N 0 0 384.318 2.872 10 0 GFAERN C[C@H](CNC(=O)CCCc1ccc(Br)s1)N1CCOCC1 ZINC000121711660 551240453 /nfs/dbraw/zinc/24/04/53/551240453.db2.gz HOLKEKGBMPIDGV-GFCCVEGCSA-N 0 0 375.332 2.670 10 0 GFAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cc(F)c(Br)cc1F ZINC000121846240 551243987 /nfs/dbraw/zinc/24/39/87/551243987.db2.gz QRMRSIOSUBATSW-GFCCVEGCSA-N 0 0 376.201 2.812 10 0 GFAERN Cn1nccc1C1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000122489274 551298636 /nfs/dbraw/zinc/29/86/36/551298636.db2.gz YXWBQOKHQQDPPZ-UHFFFAOYSA-N 0 0 378.270 2.968 10 0 GFAERN C[C@H](C(=O)NC[C@]1(C)CCCO1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000123901154 551309639 /nfs/dbraw/zinc/30/96/39/551309639.db2.gz FSJURMVGURSCML-XLFHBGCDSA-N 0 0 385.247 2.663 10 0 GFAERN C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1Cl ZINC000124230089 551312579 /nfs/dbraw/zinc/31/25/79/551312579.db2.gz KVMRRIDZPGWDPX-LBPRGKRZSA-N 0 0 384.860 2.977 10 0 GFAERN C[C@H](NC(=O)COc1ccccc1Br)c1nnc2n1CCCC2 ZINC000124286884 551312934 /nfs/dbraw/zinc/31/29/34/551312934.db2.gz UIMVKTWUPUHNJF-NSHDSACASA-N 0 0 379.258 2.633 10 0 GFAERN O=C(NCc1ccc(O)c(Br)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000126301033 551328025 /nfs/dbraw/zinc/32/80/25/551328025.db2.gz VPNNUICCUDJPAS-GUYCJALGSA-N 0 0 383.286 2.991 10 0 GFAERN C[C@H](Sc1nc2ccccc2s1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000126442505 551330066 /nfs/dbraw/zinc/33/00/66/551330066.db2.gz KYTNMWRJGBKJQP-KBPBESRZSA-N 0 0 377.535 2.710 10 0 GFAERN CC[C@H](CO)N1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000131247035 551373609 /nfs/dbraw/zinc/37/36/09/551373609.db2.gz TZRHQURAOXVWTK-TZMCWYRMSA-N 0 0 375.296 2.676 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccc(Br)o1 ZINC000133176845 551382537 /nfs/dbraw/zinc/38/25/37/551382537.db2.gz OZQPYUDUVWYXCQ-LLVKDONJSA-N 0 0 382.262 2.873 10 0 GFAERN Cc1cc(I)cc(C(=O)N[C@H]2CCCn3ncnc32)c1C ZINC000151055499 551406534 /nfs/dbraw/zinc/40/65/34/551406534.db2.gz BYHGBFJSGZIHBZ-ZDUSSCGKSA-N 0 0 396.232 2.764 10 0 GFAERN Cc1cnn(C[C@H]2CN(Cc3cc(Br)cc4c3OCC4)CCO2)c1 ZINC000153876249 551462177 /nfs/dbraw/zinc/46/21/77/551462177.db2.gz WZAZTJIBZPIMOQ-QGZVFWFLSA-N 0 0 392.297 2.790 10 0 GFAERN CC(=O)N[C@@H]1CCCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000153894300 551462662 /nfs/dbraw/zinc/46/26/62/551462662.db2.gz XNLRWGYAZOCPCC-OAHLLOKOSA-N 0 0 377.286 2.940 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc(Br)c(O)c1)CC2 ZINC000153966233 551464107 /nfs/dbraw/zinc/46/41/07/551464107.db2.gz HIWQJJMLHQDBFL-NSHDSACASA-N 0 0 379.258 2.614 10 0 GFAERN C[C@H](CC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000154035939 551466085 /nfs/dbraw/zinc/46/60/85/551466085.db2.gz PAZUOZYFYITYAO-PBHICJAKSA-N 0 0 381.314 2.876 10 0 GFAERN C[C@@H](CC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000154036087 551466141 /nfs/dbraw/zinc/46/61/41/551466141.db2.gz PAZUOZYFYITYAO-WMLDXEAASA-N 0 0 381.314 2.876 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(F)c(F)cc2I)C[C@H](C)O1 ZINC000155126578 551492351 /nfs/dbraw/zinc/49/23/51/551492351.db2.gz DCLIRIXTISJPAF-YUMQZZPRSA-N 0 0 381.160 2.819 10 0 GFAERN Cc1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1Br ZINC000155622636 551504026 /nfs/dbraw/zinc/50/40/26/551504026.db2.gz BNHBEMQXGGWCCV-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN Cc1nc(C[C@H]2CCCN([C@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000156563295 551525019 /nfs/dbraw/zinc/52/50/19/551525019.db2.gz JAHPWTIKCLKUEF-WBMJQRKESA-N 0 0 393.285 2.622 10 0 GFAERN CCc1nnc([C@@H]2CN(Cc3cc(OC)ccc3Br)CCO2)[nH]1 ZINC000156707125 551527199 /nfs/dbraw/zinc/52/71/99/551527199.db2.gz AYJOKDKDKZZOQB-AWEZNQCLSA-N 0 0 381.274 2.712 10 0 GFAERN O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@H]1CCCC[C@H]1CO ZINC000157205803 551534847 /nfs/dbraw/zinc/53/48/47/551534847.db2.gz YHBZASMRRBEPLN-AAEUAGOBSA-N 0 0 380.897 2.952 10 0 GFAERN O=S(=O)(Cc1ccc(Cl)nc1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158553517 551553436 /nfs/dbraw/zinc/55/34/36/551553436.db2.gz YEUILRPQZIJUSV-SWLSCSKDSA-N 0 0 388.823 2.651 10 0 GFAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)c1 ZINC000158895610 551558437 /nfs/dbraw/zinc/55/84/37/551558437.db2.gz FRKJVYYFQZEYLC-LLVKDONJSA-N 0 0 375.281 2.919 10 0 GFAERN Cn1nccc1C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000159328020 551563725 /nfs/dbraw/zinc/56/37/25/551563725.db2.gz UEWYTONPNLLGEX-UHFFFAOYSA-N 0 0 384.299 2.751 10 0 GFAERN CCn1cnnc1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000171636349 551659806 /nfs/dbraw/zinc/65/98/06/551659806.db2.gz PKELUPKAYFRMHO-UHFFFAOYSA-N 0 0 390.296 2.568 10 0 GFAERN O[C@H](COc1ccc(Br)cc1)CN1CCO[C@H](c2nccs2)C1 ZINC000171665464 551660217 /nfs/dbraw/zinc/66/02/17/551660217.db2.gz ASEDZEPEEDXIRG-ZFWWWQNUSA-N 0 0 399.310 2.719 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)CSc3ccc(Cl)cc3)CC2)no1 ZINC000171787972 551664117 /nfs/dbraw/zinc/66/41/17/551664117.db2.gz FJOWVVBXBGEIJW-UHFFFAOYSA-N 0 0 380.901 2.858 10 0 GFAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CCO1 ZINC000172278515 551674951 /nfs/dbraw/zinc/67/49/51/551674951.db2.gz RJYIPKBZPBKPMO-GXSJLCMTSA-N 0 0 392.258 2.740 10 0 GFAERN C[C@H](NC(=O)NCc1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1Cl ZINC000172502851 551680546 /nfs/dbraw/zinc/68/05/46/551680546.db2.gz OYANIMPWPVGUPP-JTQLQIEISA-N 0 0 385.848 2.687 10 0 GFAERN O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000172758313 551686288 /nfs/dbraw/zinc/68/62/88/551686288.db2.gz SGWNTBHENFFBIF-NSHDSACASA-N 0 0 393.698 2.959 10 0 GFAERN CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000172840019 551687684 /nfs/dbraw/zinc/68/76/84/551687684.db2.gz HYFYRGVHGZTXGN-GFCCVEGCSA-N 0 0 381.885 2.845 10 0 GFAERN C[C@@H](NC(=O)[C@H]1SCCc2sccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000173083815 551695020 /nfs/dbraw/zinc/69/50/20/551695020.db2.gz DQGZAABXILOQAG-BMIGLBTASA-N 0 0 382.532 2.603 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cccc(Br)c3C)CCO2)c1 ZINC000173354483 552083911 /nfs/dbraw/zinc/08/39/11/552083911.db2.gz GYFONBKPJGRBER-AWEZNQCLSA-N 0 0 378.270 2.804 10 0 GFAERN CC[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000173826017 552093091 /nfs/dbraw/zinc/09/30/91/552093091.db2.gz BFFZMMJQXZHALC-QWRGUYRKSA-N 0 0 380.436 2.633 10 0 GFAERN COc1cc(Br)cc(C)c1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173876655 552095058 /nfs/dbraw/zinc/09/50/58/552095058.db2.gz CTARURVDGDKPED-AWEZNQCLSA-N 0 0 398.301 2.705 10 0 GFAERN CCc1cnc(CNC(=O)N2CCCN(Cc3csc(C)n3)CC2)s1 ZINC000174165504 552101158 /nfs/dbraw/zinc/10/11/58/552101158.db2.gz SITJIFORSRJUDP-UHFFFAOYSA-N 0 0 379.555 2.888 10 0 GFAERN O=C(NCc1cc(F)cc(Br)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000174212239 552102354 /nfs/dbraw/zinc/10/23/54/552102354.db2.gz IQBSJOPECTVZKJ-CQSZACIVSA-N 0 0 382.237 2.726 10 0 GFAERN Cc1ccc([C@@H](CNS(=O)(=O)c2cccc(F)c2)N2CCOCC2)s1 ZINC000175215770 552117986 /nfs/dbraw/zinc/11/79/86/552117986.db2.gz IPZLHNVHKFJTPL-MRXNPFEDSA-N 0 0 384.498 2.547 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000175676056 552126679 /nfs/dbraw/zinc/12/66/79/552126679.db2.gz ADTKILKJIYWYHP-LBPRGKRZSA-N 0 0 384.271 2.535 10 0 GFAERN C[C@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(Cl)c(Cl)c1 ZINC000175950015 552132725 /nfs/dbraw/zinc/13/27/25/552132725.db2.gz FDHPOMMZFURECY-VIFPVBQESA-N 0 0 385.255 2.556 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3c(F)cccc3Br)CCO2)c1 ZINC000176633682 552142938 /nfs/dbraw/zinc/14/29/38/552142938.db2.gz DOPFJRWMWRMIHK-LBPRGKRZSA-N 0 0 382.233 2.634 10 0 GFAERN COC(=O)Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000176801614 552146279 /nfs/dbraw/zinc/14/62/79/552146279.db2.gz VRIBARVCPHWTPO-SNVBAGLBSA-N 0 0 380.853 2.933 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(Br)cc3C)CCO2)[nH]1 ZINC000176967280 552148131 /nfs/dbraw/zinc/14/81/31/552148131.db2.gz SGICBOASRNOVAJ-CYBMUJFWSA-N 0 0 380.246 2.789 10 0 GFAERN O=C(NCC1(c2ccccc2Br)CC1)N[C@@H]1CCCn2ncnc21 ZINC000177318367 552152782 /nfs/dbraw/zinc/15/27/82/552152782.db2.gz AEIVUTYUONHDGZ-CQSZACIVSA-N 0 0 390.285 2.907 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177707260 552157197 /nfs/dbraw/zinc/15/71/97/552157197.db2.gz MXGRSUMRQLHHNV-CJNGLKHVSA-N 0 0 382.302 2.942 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C)c1I ZINC000177722942 552157863 /nfs/dbraw/zinc/15/78/63/552157863.db2.gz SGGPPXLIZVDJBS-GFCCVEGCSA-N 0 0 396.232 2.764 10 0 GFAERN Cc1nc(CCNC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)sc1C ZINC000177837963 552159551 /nfs/dbraw/zinc/15/95/51/552159551.db2.gz XSMNPCYMQKBXMV-AWEZNQCLSA-N 0 0 379.507 2.520 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1cc(C)nc2ccc(Br)cc21)C(C)C ZINC000178842930 552177233 /nfs/dbraw/zinc/17/72/33/552177233.db2.gz DAGDBDRMUNGTBY-OAHLLOKOSA-N 0 0 378.270 2.806 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1cc(Br)ccc1F)CC2 ZINC000178914280 552179168 /nfs/dbraw/zinc/17/91/68/552179168.db2.gz FGTVKCLPBJDJPF-ZDUSSCGKSA-N 0 0 395.276 2.977 10 0 GFAERN C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)c1cccs1 ZINC000179034960 552182709 /nfs/dbraw/zinc/18/27/09/552182709.db2.gz ZSQUXDRRGMCARG-VIFPVBQESA-N 0 0 393.943 2.802 10 0 GFAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000179236677 552187896 /nfs/dbraw/zinc/18/78/96/552187896.db2.gz YCVIHIQDLXQMRS-IINYFYTJSA-N 0 0 379.254 2.572 10 0 GFAERN O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCN2CCCC[C@H]2C1 ZINC000179374716 552191005 /nfs/dbraw/zinc/19/10/05/552191005.db2.gz GBYFZUKMDYRVKU-INIZCTEOSA-N 0 0 389.297 2.945 10 0 GFAERN Cn1c(CS(=O)(=O)Cc2csc(Br)c2)nnc1C1CC1 ZINC000180053157 552211031 /nfs/dbraw/zinc/21/10/31/552211031.db2.gz CRXWYBIBQBJHIB-UHFFFAOYSA-N 0 0 376.301 2.632 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000180053357 552211051 /nfs/dbraw/zinc/21/10/51/552211051.db2.gz VHQGQVCVLMGRIN-UHFFFAOYSA-N 0 0 376.251 2.623 10 0 GFAERN O=C(Nc1c(F)cc(Cl)cc1F)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000180121094 552213776 /nfs/dbraw/zinc/21/37/76/552213776.db2.gz AEUPPRAETXKWHF-NSHDSACASA-N 0 0 387.795 2.613 10 0 GFAERN Cc1cccc(S(=O)(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1Cl ZINC000180311620 552222320 /nfs/dbraw/zinc/22/23/20/552222320.db2.gz XYGPPDQTVGDTEC-CQSZACIVSA-N 0 0 380.901 2.728 10 0 GFAERN C[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)c1ccc(F)c(Cl)c1 ZINC000181099605 552246455 /nfs/dbraw/zinc/24/64/55/552246455.db2.gz KOCRBZZDPIUFPP-JTQLQIEISA-N 0 0 387.864 2.559 10 0 GFAERN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000182377770 552281940 /nfs/dbraw/zinc/28/19/40/552281940.db2.gz VHCCOGADKQXYNT-ZLDLUXBVSA-N 0 0 392.304 2.764 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cnc(Br)c(C)c1 ZINC000182426810 552283600 /nfs/dbraw/zinc/28/36/00/552283600.db2.gz YYVSOVQOTYFTFQ-NSHDSACASA-N 0 0 379.262 2.963 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1cc(F)ccc1Br)CC2 ZINC000182437701 552284152 /nfs/dbraw/zinc/28/41/52/552284152.db2.gz FGGVETUYZKFUBE-CYBMUJFWSA-N 0 0 395.276 2.806 10 0 GFAERN O[C@H](COc1ccc(Br)cc1)CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182732917 552291997 /nfs/dbraw/zinc/29/19/97/552291997.db2.gz BZYFSMPDHYTPKF-DZGCQCFKSA-N 0 0 381.274 2.534 10 0 GFAERN O=S(=O)(c1ccc(-n2cccc2)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000183889341 552322246 /nfs/dbraw/zinc/32/22/46/552322246.db2.gz WFUNRLUUAOLLRO-INIZCTEOSA-N 0 0 375.475 2.696 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2nnc(C(F)(F)F)s2)C12CCOCC2 ZINC000183982650 552324434 /nfs/dbraw/zinc/32/44/34/552324434.db2.gz MPOUKAGQDATYOW-RKDXNWHRSA-N 0 0 380.392 2.653 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000184820858 552345361 /nfs/dbraw/zinc/34/53/61/552345361.db2.gz IYQZMLQKXQZVDV-CZUORRHYSA-N 0 0 384.318 2.608 10 0 GFAERN Cc1cnn(C[C@H]2CN(C[C@H](O)c3ccc(F)c(Br)c3)CCO2)c1 ZINC000185004643 552350723 /nfs/dbraw/zinc/35/07/23/552350723.db2.gz AHALSUMBORCCKV-PBHICJAKSA-N 0 0 398.276 2.528 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2Cl)C12CCOCC2 ZINC000185151543 552355952 /nfs/dbraw/zinc/35/59/52/552355952.db2.gz YIPSLWPQIPFHJP-HUUCEWRRSA-N 0 0 377.865 2.732 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cc(F)ccc2Cl)C12CCOCC2 ZINC000185156793 552355975 /nfs/dbraw/zinc/35/59/75/552355975.db2.gz PHBFCLDXNKUMDW-CABCVRRESA-N 0 0 377.865 2.732 10 0 GFAERN CC(C)n1nnnc1CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000185274537 552359824 /nfs/dbraw/zinc/35/98/24/552359824.db2.gz HKEWOHUHBAZDDP-CQSZACIVSA-N 0 0 384.253 2.729 10 0 GFAERN O=C(NC1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1)C1CCC1 ZINC000186186152 552381248 /nfs/dbraw/zinc/38/12/48/552381248.db2.gz RPDVMKSIISJYLJ-UHFFFAOYSA-N 0 0 397.711 2.936 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(F)cc1Br ZINC000186783908 552397738 /nfs/dbraw/zinc/39/77/38/552397738.db2.gz FBAWRGDGVLXVBX-CYBMUJFWSA-N 0 0 381.249 2.936 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)COc2ccc(Br)cc2)C12CCOCC2 ZINC000187133575 552407322 /nfs/dbraw/zinc/40/73/22/552407322.db2.gz NMAOMCOZEQHOBU-HOTGVXAUSA-N 0 0 398.297 2.918 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(Br)c1 ZINC000187560185 552418963 /nfs/dbraw/zinc/41/89/63/552418963.db2.gz GVVFAUDLYAVGJM-AWEZNQCLSA-N 0 0 389.315 2.900 10 0 GFAERN CCn1cc([C@H]2CN(S(=O)(=O)c3cc(C)c(Cl)s3)CCO2)cn1 ZINC000188202188 552439224 /nfs/dbraw/zinc/43/92/24/552439224.db2.gz GRCRQQAANAZOBP-GFCCVEGCSA-N 0 0 375.903 2.689 10 0 GFAERN O=S(=O)(c1ccc(Cl)cc1F)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188882543 552457360 /nfs/dbraw/zinc/45/73/60/552457360.db2.gz RVJORAGWWBFSNQ-AAEUAGOBSA-N 0 0 375.874 2.937 10 0 GFAERN C[C@@H](NC(=O)c1ncc(Br)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000188901493 552457830 /nfs/dbraw/zinc/45/78/30/552457830.db2.gz WISDMQMMLMQQQV-MRVPVSSYSA-N 0 0 389.296 2.800 10 0 GFAERN Cc1cc(SCC(=O)N2CCCNC(=O)[C@H]2C)c(C)cc1Br ZINC000188954172 552459218 /nfs/dbraw/zinc/45/92/18/552459218.db2.gz UEPHKHIOZDOGNX-GFCCVEGCSA-N 0 0 385.327 2.895 10 0 GFAERN CCn1cc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3Cl)CCO2)cn1 ZINC000189227410 552466122 /nfs/dbraw/zinc/46/61/22/552466122.db2.gz KVCMFXJKUSFLQO-CYBMUJFWSA-N 0 0 390.292 2.972 10 0 GFAERN O=C(NC1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)C1)C1CC1 ZINC000189384026 552470404 /nfs/dbraw/zinc/47/04/04/552470404.db2.gz RTFPEYRMLVBWSQ-UHFFFAOYSA-N 0 0 391.187 2.819 10 0 GFAERN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000190167129 552489183 /nfs/dbraw/zinc/48/91/83/552489183.db2.gz MFYKXPYZURHICI-IUODEOHRSA-N 0 0 384.270 2.908 10 0 GFAERN C[C@H]1CSCCN(C(=O)[C@H]2CCC[C@H]2C(=O)N2CCSC[C@@H](C)C2)C1 ZINC000191330418 552524737 /nfs/dbraw/zinc/52/47/37/552524737.db2.gz ZHIGSAPGUUPGND-ZYGGUILKSA-N 0 0 384.611 2.826 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2nc(Br)ccc2C)C1 ZINC000191349943 552525995 /nfs/dbraw/zinc/52/59/95/552525995.db2.gz DWUDBOLEXBNTDS-GFCCVEGCSA-N 0 0 378.274 2.784 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)COc3cccc(Br)c3)CCO2)cn1 ZINC000191699994 552535218 /nfs/dbraw/zinc/53/52/18/552535218.db2.gz JMZTWUPZPQSWPF-MRXNPFEDSA-N 0 0 394.269 2.644 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)c3cc(OC)ccc3Br)CCO2)cn1 ZINC000191713609 552535546 /nfs/dbraw/zinc/53/55/46/552535546.db2.gz UJWHBVVUHOVGPL-INIZCTEOSA-N 0 0 394.269 2.888 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)COc3ccc(Br)cc3)CCO2)cn1 ZINC000191713057 552535624 /nfs/dbraw/zinc/53/56/24/552535624.db2.gz PHYSSFHCNYBHJW-INIZCTEOSA-N 0 0 394.269 2.644 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)c3cc(Br)cnc3Cl)CCO2)cn1 ZINC000191718878 552536097 /nfs/dbraw/zinc/53/60/97/552536097.db2.gz HAYKIUTUWNNIBS-CYBMUJFWSA-N 0 0 399.676 2.928 10 0 GFAERN Cc1csc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1I ZINC000191751841 552536759 /nfs/dbraw/zinc/53/67/59/552536759.db2.gz CWKKAMWVICYECF-UWVGGRQHSA-N 0 0 379.263 2.942 10 0 GFAERN Cc1nc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)ccc1Br ZINC000192821876 552975100 /nfs/dbraw/zinc/97/51/00/552975100.db2.gz NEYVGSCRDLPDBQ-CYBMUJFWSA-N 0 0 390.237 2.731 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(F)c1)CC2 ZINC000192827419 552975227 /nfs/dbraw/zinc/97/52/27/552975227.db2.gz XRSGRNZSSSNQPA-LBPRGKRZSA-N 0 0 386.880 2.628 10 0 GFAERN C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000193229716 552986815 /nfs/dbraw/zinc/98/68/15/552986815.db2.gz DMPLNWFXKPCYCU-JTQLQIEISA-N 0 0 392.424 2.923 10 0 GFAERN CCn1cc(CN2CCCN(C(=O)c3ccoc3Br)CC2)cn1 ZINC000193556470 552996849 /nfs/dbraw/zinc/99/68/49/552996849.db2.gz YOPPTNWRWDSLLR-UHFFFAOYSA-N 0 0 381.274 2.607 10 0 GFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000193812632 553004330 /nfs/dbraw/zinc/00/43/30/553004330.db2.gz UWIYCCVHMKWLRD-IIMNLJJBSA-N 0 0 377.384 2.599 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3ccccc3OC(F)F)CCO2)n1 ZINC000193951724 553007752 /nfs/dbraw/zinc/00/77/52/553007752.db2.gz HSMXWDQWMIUUJZ-GFCCVEGCSA-N 0 0 390.433 2.815 10 0 GFAERN CC(C)(C)c1csc([C@H]2CN(S(=O)(=O)CC[C@@H]3CCCO3)CCO2)n1 ZINC000193955138 553008160 /nfs/dbraw/zinc/00/81/60/553008160.db2.gz HAFIISMCNOSCJB-UONOGXRCSA-N 0 0 388.555 2.713 10 0 GFAERN COCCCCS(=O)(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193954591 553008217 /nfs/dbraw/zinc/00/82/17/553008217.db2.gz BHZBZYWMJDCIKE-ZDUSSCGKSA-N 0 0 376.544 2.570 10 0 GFAERN CC(C)OCCS(=O)(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193955065 553008261 /nfs/dbraw/zinc/00/82/61/553008261.db2.gz YDIVVLDNVIIZGT-CYBMUJFWSA-N 0 0 376.544 2.569 10 0 GFAERN CC(C)c1nnc(C[S@](=O)Cc2cn(-c3ccc(Cl)cc3)nn2)n1C ZINC000194288022 553016431 /nfs/dbraw/zinc/01/64/31/553016431.db2.gz DBQYNJXOVPLGKB-RUZDIDTESA-N 0 0 378.889 2.622 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000195464750 553050146 /nfs/dbraw/zinc/05/01/46/553050146.db2.gz BZWTTYGTAJNJFM-LLVKDONJSA-N 0 0 377.238 2.745 10 0 GFAERN Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000224190305 553057656 /nfs/dbraw/zinc/05/76/56/553057656.db2.gz XDPOIIGZIDFZSX-UHFFFAOYSA-N 0 0 375.281 2.636 10 0 GFAERN O=S(=O)(N[C@H]1CCCC[C@H]1CO)c1ccc(Cl)c(Br)c1 ZINC000236495747 553069115 /nfs/dbraw/zinc/06/91/15/553069115.db2.gz XTQHCDAOCAEPND-ZANVPECISA-N 0 0 382.707 2.932 10 0 GFAERN O=S(=O)(NC[C@H]1CCCC[C@@H]1O)c1ccc(Cl)c(Br)c1 ZINC000236560294 553069201 /nfs/dbraw/zinc/06/92/01/553069201.db2.gz NFDSZKUAXWXWPP-RNCFNFMXSA-N 0 0 382.707 2.932 10 0 GFAERN COC(=O)c1ccsc1N1CC[C@H](N2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000245496502 553091493 /nfs/dbraw/zinc/09/14/93/553091493.db2.gz RMWBFBCSOICSDF-PWSUYJOCSA-N 0 0 376.400 2.914 10 0 GFAERN C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CCS1 ZINC000245755046 553096353 /nfs/dbraw/zinc/09/63/53/553096353.db2.gz OVJOHRWQDXYDJE-XYPHTWIQSA-N 0 0 383.945 2.859 10 0 GFAERN CN1CCO[C@H](CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000246393165 553107299 /nfs/dbraw/zinc/10/72/99/553107299.db2.gz IYOQXPZTXKULRJ-CVEARBPZSA-N 0 0 382.302 2.626 10 0 GFAERN NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@H](Oc2cccnc2)C1 ZINC000246871089 553114123 /nfs/dbraw/zinc/11/41/23/553114123.db2.gz UQCOIYPCIFVBOR-XJKSGUPXSA-N 0 0 394.244 2.663 10 0 GFAERN C[C@@H]1COC[C@@H](C)N1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000246942703 553115715 /nfs/dbraw/zinc/11/57/15/553115715.db2.gz JRVWQLWZPRLDIV-NQBHXWOUSA-N 0 0 378.694 2.951 10 0 GFAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C[C@@H]1C ZINC000247816589 553126090 /nfs/dbraw/zinc/12/60/90/553126090.db2.gz WJPGPMYMTWYMAN-GJZGRUSLSA-N 0 0 398.345 2.737 10 0 GFAERN COCCCCS(=O)(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000248463445 553130062 /nfs/dbraw/zinc/13/00/62/553130062.db2.gz AOZWGMGXZWQYEW-GJZGRUSLSA-N 0 0 381.416 2.570 10 0 GFAERN CC[C@H]1CN(C(=O)c2scc(C)c2Br)CCN1C[C@H](C)O ZINC000249016652 553137947 /nfs/dbraw/zinc/13/79/47/553137947.db2.gz KFHSXJJNKCKHKL-RYUDHWBXSA-N 0 0 375.332 2.736 10 0 GFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(Br)c(C)[nH]c1=O ZINC000249587345 553144927 /nfs/dbraw/zinc/14/49/27/553144927.db2.gz UIIFQIKZRYRLLG-SWHYSGLUSA-N 0 0 397.269 2.804 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000249699643 553145449 /nfs/dbraw/zinc/14/54/49/553145449.db2.gz WZNJVPMZCTWHCI-LSDHHAIUSA-N 0 0 386.514 2.683 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000263537761 553189095 /nfs/dbraw/zinc/18/90/95/553189095.db2.gz AOJOLYSYUZODQF-UHFFFAOYSA-N 0 0 376.682 2.873 10 0 GFAERN Cc1ccc(CN(C)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1F ZINC000302733230 563429263 /nfs/dbraw/zinc/42/92/63/563429263.db2.gz VBNBXXZHXSZIME-UHFFFAOYSA-N 0 0 385.482 2.578 10 0 GFAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000529274842 564827475 /nfs/dbraw/zinc/82/74/75/564827475.db2.gz JABUFZKJYRHEMC-FSPLSTOPSA-N 0 0 396.104 2.670 10 0 GFAERN COc1ccc(F)cc1-c1cc(N2CCN(C(=O)NC(C)(C)C)CC2)ncn1 ZINC000035512650 570388883 /nfs/dbraw/zinc/38/88/83/570388883.db2.gz VKAFOBZGJZEDDS-UHFFFAOYSA-N 0 0 387.459 2.921 10 0 GFAERN CCc1nc(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)nc2)cs1 ZINC000064746716 570531368 /nfs/dbraw/zinc/53/13/68/570531368.db2.gz GAJSTFKYRZBLGU-GFCCVEGCSA-N 0 0 396.925 2.585 10 0 GFAERN O=C(NCCc1cccc2ccccc21)c1cc(CN2CCC[C@@H](O)C2)on1 ZINC000012596764 570689486 /nfs/dbraw/zinc/68/94/86/570689486.db2.gz QFHXDIOOYRWTPZ-GOSISDBHSA-N 0 0 379.460 2.757 10 0 GFAERN OCc1ccccc1CN1CCN(Cc2c(Cl)nc3sccn23)CC1 ZINC000055368796 570692728 /nfs/dbraw/zinc/69/27/28/570692728.db2.gz JCLGVINWADCAMI-UHFFFAOYSA-N 0 0 376.913 2.859 10 0 GFAERN CC[C@@H]1CN2C=NC(N3CCN(C(=O)Nc4cccc(SC)c4)CC3)=CC2=N1 ZINC000097087483 570891054 /nfs/dbraw/zinc/89/10/54/570891054.db2.gz ZTJJQCGSUDRCFX-OAHLLOKOSA-N 0 0 398.536 2.934 10 0 GFAERN Cn1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c(Br)n1 ZINC000829111500 660581556 /nfs/dbraw/zinc/58/15/56/660581556.db2.gz QTVJTUOFNSXQQD-NSHDSACASA-N 0 0 387.278 2.911 10 0 GFAERN CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000007054826 654461840 /nfs/dbraw/zinc/46/18/40/654461840.db2.gz YVBHLXNCNYGHHY-OUKQBFOZSA-N 0 0 380.491 2.786 10 0 GFAERN COC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000015791179 654512788 /nfs/dbraw/zinc/51/27/88/654512788.db2.gz MAYKCLNNCGMNLE-OLZOCXBDSA-N 0 0 388.917 2.525 10 0 GFAERN C[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000025736919 654552727 /nfs/dbraw/zinc/55/27/27/654552727.db2.gz DAKMZKUZRWHLQL-QMTHXVAHSA-N 0 0 379.309 2.985 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)s1 ZINC000041758831 654631222 /nfs/dbraw/zinc/63/12/22/654631222.db2.gz IBMFQKFJUPEUIN-JTQLQIEISA-N 0 0 379.869 2.919 10 0 GFAERN O=C(NCCOC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccncc1 ZINC000050206554 654718662 /nfs/dbraw/zinc/71/86/62/654718662.db2.gz GODXGTNDNRFVFC-HZPDHXFCSA-N 0 0 389.249 2.921 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(C)c1Br ZINC000121962955 654725893 /nfs/dbraw/zinc/72/58/93/654725893.db2.gz OEWUWMHOIYWEIN-ZDUSSCGKSA-N 0 0 389.315 2.900 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000052606163 654737341 /nfs/dbraw/zinc/73/73/41/654737341.db2.gz RUTVTHBKAZXAQU-OAHLLOKOSA-N 0 0 376.881 2.642 10 0 GFAERN COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000122976441 654748753 /nfs/dbraw/zinc/74/87/53/654748753.db2.gz NZNRHPCELSQWEA-ZDUSSCGKSA-N 0 0 380.491 2.806 10 0 GFAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123195816 654752908 /nfs/dbraw/zinc/75/29/08/654752908.db2.gz OWNFCEKSCIBLJS-APPDUMDISA-N 0 0 399.260 2.680 10 0 GFAERN O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123255700 654754313 /nfs/dbraw/zinc/75/43/13/654754313.db2.gz XKYQALUAVIWGPQ-APPDUMDISA-N 0 0 399.260 2.680 10 0 GFAERN C[C@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccccc1Br ZINC000125267922 654790093 /nfs/dbraw/zinc/79/00/93/654790093.db2.gz TVZZVEXWCBVTDZ-NSHDSACASA-N 0 0 376.254 2.837 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)NCc2ccc(O)c(Br)c2)cn1 ZINC000126167334 654809839 /nfs/dbraw/zinc/80/98/39/654809839.db2.gz KVEALQONHSRIMZ-AWEZNQCLSA-N 0 0 379.258 2.935 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000061853885 654842922 /nfs/dbraw/zinc/84/29/22/654842922.db2.gz QWYKQXWULBISHJ-NSHDSACASA-N 0 0 380.853 2.559 10 0 GFAERN Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000128459695 654847520 /nfs/dbraw/zinc/84/75/20/654847520.db2.gz ANWFWBLKMRKSCK-OAHLLOKOSA-N 0 0 380.901 2.728 10 0 GFAERN O=C(Nc1ccccc1SC(F)(F)F)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130607475 654890556 /nfs/dbraw/zinc/89/05/56/654890556.db2.gz MDUXKKQGQNUIQJ-WDEREUQCSA-N 0 0 376.400 2.904 10 0 GFAERN C[C@@H](OC(=O)CCC(=O)N1CCOCC1)c1ccc(Br)cc1F ZINC000131174168 654897587 /nfs/dbraw/zinc/89/75/87/654897587.db2.gz MNTIIJKPXUIFDW-LLVKDONJSA-N 0 0 388.233 2.831 10 0 GFAERN Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1S(C)(=O)=O ZINC000133193823 654956165 /nfs/dbraw/zinc/95/61/65/654956165.db2.gz XTTKKFZDBDFHBQ-OAHLLOKOSA-N 0 0 382.869 2.907 10 0 GFAERN COc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)sc1Br ZINC000133229102 654957301 /nfs/dbraw/zinc/95/73/01/654957301.db2.gz HVBMMONPYPZNEF-QMMMGPOBSA-N 0 0 385.287 2.938 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(C)cc1Br ZINC000070719206 654994052 /nfs/dbraw/zinc/99/40/52/654994052.db2.gz ZRNAWCWPBWVORJ-ZDUSSCGKSA-N 0 0 390.299 2.867 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(F)ccc1Br ZINC000135179477 655011299 /nfs/dbraw/zinc/01/12/99/655011299.db2.gz BCWOIQMSMVYMCI-LLVKDONJSA-N 0 0 398.236 2.983 10 0 GFAERN CC[C@H](CNC(=O)N[C@H](C(N)=O)C(C)C)Cc1cccc(Br)c1 ZINC000135287224 655013223 /nfs/dbraw/zinc/01/32/23/655013223.db2.gz QCIXNCFPESYMIR-WFASDCNBSA-N 0 0 384.318 2.827 10 0 GFAERN COCCN1C[C@H](C(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1=O ZINC000097699421 655037667 /nfs/dbraw/zinc/03/76/67/655037667.db2.gz UNOVETQXRQAWEM-NXEZZACHSA-N 0 0 377.243 2.805 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000102102622 655050977 /nfs/dbraw/zinc/05/09/77/655050977.db2.gz SLDLTYVPJMRGFU-LBPRGKRZSA-N 0 0 386.279 2.839 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000102102148 655051140 /nfs/dbraw/zinc/05/11/40/655051140.db2.gz IVBPYKYNDIRVBZ-LBPRGKRZSA-N 0 0 386.279 2.839 10 0 GFAERN CN1CCO[C@H](CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000104797639 655086966 /nfs/dbraw/zinc/08/69/66/655086966.db2.gz IYOQXPZTXKULRJ-HZPDHXFCSA-N 0 0 382.302 2.626 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1 ZINC000106368207 655107608 /nfs/dbraw/zinc/10/76/08/655107608.db2.gz GLEOUMLMSIBXKH-LLVKDONJSA-N 0 0 378.483 2.593 10 0 GFAERN COC(=O)N[C@@H](C(=O)Nc1ccc(I)cc1C)C(C)C ZINC000108149564 655128557 /nfs/dbraw/zinc/12/85/57/655128557.db2.gz DDKQKIUMRYMXHB-GFCCVEGCSA-N 0 0 390.221 2.919 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)c3ccccc3Br)CC2)nn1 ZINC000109632706 655149194 /nfs/dbraw/zinc/14/91/94/655149194.db2.gz ZBDMBWZLQRNQSE-UHFFFAOYSA-N 0 0 375.270 2.900 10 0 GFAERN COc1ccc(Br)c(C(=O)N2CCC(Nc3cccnn3)CC2)c1 ZINC000109637231 655149478 /nfs/dbraw/zinc/14/94/78/655149478.db2.gz CWERJMYHXUZFGM-UHFFFAOYSA-N 0 0 391.269 2.964 10 0 GFAERN CN(c1cccnn1)C1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000109643284 655149521 /nfs/dbraw/zinc/14/95/21/655149521.db2.gz PRLBNLRSFLUZQO-UHFFFAOYSA-N 0 0 389.297 2.909 10 0 GFAERN CN(c1cccnn1)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000109642044 655149674 /nfs/dbraw/zinc/14/96/74/655149674.db2.gz LXBIZPFETCGTKT-UHFFFAOYSA-N 0 0 389.297 2.909 10 0 GFAERN O=C(CCc1nc(-c2ccsc2)no1)N1CCO[C@H](c2nccs2)C1 ZINC000110874357 655160945 /nfs/dbraw/zinc/16/09/45/655160945.db2.gz CPXQOMMMSOSXHG-LBPRGKRZSA-N 0 0 376.463 2.787 10 0 GFAERN O=C(COc1cccc(Br)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000110880878 655160969 /nfs/dbraw/zinc/16/09/69/655160969.db2.gz XYFLZUCYHZRYNK-CYBMUJFWSA-N 0 0 383.267 2.885 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3ccc(Br)cn3)CC2)s1 ZINC000110939341 655162193 /nfs/dbraw/zinc/16/21/93/655162193.db2.gz PYXBZNBSJDRLOA-UHFFFAOYSA-N 0 0 381.299 2.567 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(Br)cc3O)CCO2)n1 ZINC000111621732 655174390 /nfs/dbraw/zinc/17/43/90/655174390.db2.gz WVBXVJUAYZKZMD-CQSZACIVSA-N 0 0 394.269 2.509 10 0 GFAERN CNC(=O)c1ccc(Cl)c(NC(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000111726663 655176973 /nfs/dbraw/zinc/17/69/73/655176973.db2.gz NVGGZNHVKQNYNE-ZDUSSCGKSA-N 0 0 380.857 2.762 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(Cn3nc(C4CC4)sc3=S)CC2)n1 ZINC000173893623 655184207 /nfs/dbraw/zinc/18/42/07/655184207.db2.gz OSGKAYJCVMELHF-LLVKDONJSA-N 0 0 380.543 2.833 10 0 GFAERN FC(F)Oc1ccc(Br)cc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000173905869 655184678 /nfs/dbraw/zinc/18/46/78/655184678.db2.gz PETXRHHDTUZFLH-CQSZACIVSA-N 0 0 391.256 2.957 10 0 GFAERN CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000174225370 655194080 /nfs/dbraw/zinc/19/40/80/655194080.db2.gz CKBGMCCADFAAIT-CYBMUJFWSA-N 0 0 379.258 2.573 10 0 GFAERN Cc1cc(SCC(=O)N[C@H]2CCc3ncnn3C2)c(C)cc1Br ZINC000112653979 655194492 /nfs/dbraw/zinc/19/44/92/655194492.db2.gz VRXGFDNHQSHWBB-LBPRGKRZSA-N 0 0 395.326 2.881 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CCN1C[C@@H](C)O ZINC000174616331 655205169 /nfs/dbraw/zinc/20/51/69/655205169.db2.gz HIADDKRJENCUPX-VXGBXAGGSA-N 0 0 377.432 2.611 10 0 GFAERN Cc1ccc([C@H](CNC(=O)NCc2ncc(C)s2)N2CCOCC2)s1 ZINC000174948176 655211083 /nfs/dbraw/zinc/21/10/83/655211083.db2.gz QVHGKASKEKHORW-AWEZNQCLSA-N 0 0 380.539 2.694 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Oc1ccccc1Br)CC2 ZINC000114867738 655229989 /nfs/dbraw/zinc/22/99/89/655229989.db2.gz SUZMRRMLYUTAQW-NWDGAFQWSA-N 0 0 393.285 2.502 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc(Br)s1)CC2 ZINC000114977900 655231206 /nfs/dbraw/zinc/23/12/06/655231206.db2.gz UXFRKGNVZSRYIX-JTQLQIEISA-N 0 0 398.330 2.821 10 0 GFAERN Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CCCn2ncnc21 ZINC000176131519 655236169 /nfs/dbraw/zinc/23/61/69/655236169.db2.gz RQEWRVJUZWCWHC-ZDUSSCGKSA-N 0 0 388.269 2.955 10 0 GFAERN Cc1cc(CCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1Br ZINC000176197814 655239400 /nfs/dbraw/zinc/23/94/00/655239400.db2.gz SJLUZXORSWBECT-YJBOKZPZSA-N 0 0 395.341 2.869 10 0 GFAERN Cc1cc(CCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1Br ZINC000176197825 655239717 /nfs/dbraw/zinc/23/97/17/655239717.db2.gz SJLUZXORSWBECT-QAPCUYQASA-N 0 0 395.341 2.869 10 0 GFAERN CSc1ccc(S(=O)(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000116899981 655256116 /nfs/dbraw/zinc/25/61/16/655256116.db2.gz PTOFRBDZDIZBLB-HNNXBMFYSA-N 0 0 380.539 2.718 10 0 GFAERN CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000117236806 655261984 /nfs/dbraw/zinc/26/19/84/655261984.db2.gz QLQDCXVFLDZGMQ-GOEBONIOSA-N 0 0 383.330 2.855 10 0 GFAERN O=C(N[C@H]1CCCn2ncnc21)N1CCc2c(Br)cccc2C1 ZINC000177378701 655274588 /nfs/dbraw/zinc/27/45/88/655274588.db2.gz ZUQHXJFGOOEBPZ-AWEZNQCLSA-N 0 0 376.258 2.643 10 0 GFAERN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)s2)ccc1F ZINC000177400839 655275155 /nfs/dbraw/zinc/27/51/55/655275155.db2.gz FRWYAOGXBYFPKC-MRVPVSSYSA-N 0 0 376.862 2.940 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000118522226 655277491 /nfs/dbraw/zinc/27/74/91/655277491.db2.gz SYLYDSSPMONFSH-KGLIPLIRSA-N 0 0 377.268 2.914 10 0 GFAERN Cc1cc(Br)ccc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118669979 655280442 /nfs/dbraw/zinc/28/04/42/655280442.db2.gz HGRGCURGVVQNBS-CQSZACIVSA-N 0 0 375.270 2.946 10 0 GFAERN O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177552057 655281186 /nfs/dbraw/zinc/28/11/86/655281186.db2.gz DPZFWVPKKSQBOQ-JOYOIKCWSA-N 0 0 376.787 2.547 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1I ZINC000177687481 655286184 /nfs/dbraw/zinc/28/61/84/655286184.db2.gz NFFVGSGPFWLNIX-LBPRGKRZSA-N 0 0 397.220 2.848 10 0 GFAERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1F ZINC000119467625 655304986 /nfs/dbraw/zinc/30/49/86/655304986.db2.gz SMTPUJUWYMAFDV-NSHDSACASA-N 0 0 389.445 2.716 10 0 GFAERN CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119557692 655306994 /nfs/dbraw/zinc/30/69/94/655306994.db2.gz YTHAGLGNQIVWAV-HNNXBMFYSA-N 0 0 383.466 2.585 10 0 GFAERN O=C(/C=C/c1ccc(I)o1)N[C@@H]1CCCC[C@@H]1CO ZINC000179231460 655312273 /nfs/dbraw/zinc/31/22/73/655312273.db2.gz DGRVLRDLCVWDPB-HSHKGWJESA-N 0 0 375.206 2.565 10 0 GFAERN O=C(Nc1cccnc1Br)N1CCC(Nc2cccnn2)CC1 ZINC000119718533 655312335 /nfs/dbraw/zinc/31/23/35/655312335.db2.gz CCFLFVGEPHUOTJ-UHFFFAOYSA-N 0 0 377.246 2.743 10 0 GFAERN COc1ncc(NC(=O)N[C@@H](C)c2ccccc2Br)cc1C(N)=O ZINC000119783566 655315133 /nfs/dbraw/zinc/31/51/33/655315133.db2.gz VUMVFVPKIAPTEG-VIFPVBQESA-N 0 0 393.241 2.834 10 0 GFAERN COc1ncc(NC(=O)N[C@H](C)c2ccccc2Br)cc1C(N)=O ZINC000119783682 655315199 /nfs/dbraw/zinc/31/51/99/655315199.db2.gz VUMVFVPKIAPTEG-SECBINFHSA-N 0 0 393.241 2.834 10 0 GFAERN C[C@@H](OC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cccs1 ZINC000183014868 655348614 /nfs/dbraw/zinc/34/86/14/655348614.db2.gz OCIXKMBQDJFBLC-GFCCVEGCSA-N 0 0 378.475 2.947 10 0 GFAERN C[C@H](CCS(C)(=O)=O)OC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000185742833 655366026 /nfs/dbraw/zinc/36/60/26/655366026.db2.gz NRRVDXWCSYIEFR-LERXQTSPSA-N 0 0 375.284 2.919 10 0 GFAERN COc1cc(Br)cc(S(=O)(=O)N[C@H]2COc3ccccc32)c1 ZINC000185739866 655366069 /nfs/dbraw/zinc/36/60/69/655366069.db2.gz JKGGARQQIVIVPJ-AWEZNQCLSA-N 0 0 384.251 2.870 10 0 GFAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CCc2cc(Br)ccc2C1 ZINC000189774014 655388100 /nfs/dbraw/zinc/38/81/00/655388100.db2.gz HCLZKVQEWBYQPF-IYBDPMFKSA-N 0 0 375.266 2.716 10 0 GFAERN CCn1c(-c2ccc(Cl)cc2)nn(CN2CCCNC(=O)[C@H]2C)c1=S ZINC000190705699 655394317 /nfs/dbraw/zinc/39/43/17/655394317.db2.gz AQNZVVNKYORRAB-GFCCVEGCSA-N 0 0 379.917 2.922 10 0 GFAERN Cc1nnc([C@@H](C)OC(=O)Cc2cc3c(cc2Br)OCCO3)o1 ZINC000192582226 655406016 /nfs/dbraw/zinc/40/60/16/655406016.db2.gz MSANZZSGYXDVHT-MRVPVSSYSA-N 0 0 383.198 2.759 10 0 GFAERN O=S(=O)(/C=C\c1ccc(Br)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000255301271 655438108 /nfs/dbraw/zinc/43/81/08/655438108.db2.gz CCXOBBYFOWAXRO-VIHMKRCTSA-N 0 0 397.298 2.678 10 0 GFAERN CC[C@@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)/C=C\c1ccccc1 ZINC000255660675 655440124 /nfs/dbraw/zinc/44/01/24/655440124.db2.gz VBSDSVZKQIDMLR-NJWFCXLTSA-N 0 0 379.503 2.829 10 0 GFAERN COc1cc(Br)ccc1CN1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263516836 655452333 /nfs/dbraw/zinc/45/23/33/655452333.db2.gz PBRMIOVQUIZUPC-OAHLLOKOSA-N 0 0 385.302 2.829 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CCO1 ZINC000263528726 655452431 /nfs/dbraw/zinc/45/24/31/655452431.db2.gz VKNSYMOBGKKEOK-CQSZACIVSA-N 0 0 380.794 2.576 10 0 GFAERN C[C@H](NC(=O)c1ccc(I)c(Cl)c1)c1cn(C)nn1 ZINC000720620710 655524676 /nfs/dbraw/zinc/52/46/76/655524676.db2.gz PAJHKCPLKYQVKN-ZETCQYMHSA-N 0 0 390.612 2.564 10 0 GFAERN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H](C)O[C@@H](C)C3)c2c1C ZINC000016046943 206247588 /nfs/dbraw/zinc/24/75/88/206247588.db2.gz WLOPTSZMPMDNSW-STQMWFEESA-N 0 0 376.526 2.754 10 0 GFAERN C[C@@H]1OC[C@@H]2O[C@H](O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O1 ZINC000255963836 206284589 /nfs/dbraw/zinc/28/45/89/206284589.db2.gz BALYQVSNDKYQHO-XRFXIRKLSA-N 0 0 386.444 2.636 10 0 GFAERN CCc1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=O)[nH]c2ncnn21 ZINC000033895363 206305357 /nfs/dbraw/zinc/30/53/57/206305357.db2.gz BUXFFAWOZAKDFS-UHFFFAOYSA-N 0 0 398.430 2.830 10 0 GFAERN COc1cc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC(C)C ZINC000001945560 206394655 /nfs/dbraw/zinc/39/46/55/206394655.db2.gz POHFLXPXNULLIH-VZUCSPMQSA-N 0 0 390.461 2.782 10 0 GFAERN CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)N3CCCCC3)c2)C1=O ZINC000012005299 206848205 /nfs/dbraw/zinc/84/82/05/206848205.db2.gz ZBQNZGDPMRVZHV-UHFFFAOYSA-N 0 0 384.885 2.669 10 0 GFAERN COc1cnc(CSc2nc(C)cc(C)n2)cc1OCC(=O)NC(C)C ZINC000015824466 207062347 /nfs/dbraw/zinc/06/23/47/207062347.db2.gz FVEVGRIDSSXNGK-UHFFFAOYSA-N 0 0 376.482 2.693 10 0 GFAERN COc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(F)cc3)n2)c(OC)c1 ZINC000020330694 207187703 /nfs/dbraw/zinc/18/77/03/207187703.db2.gz PFXVZMIDQRAVOT-UHFFFAOYSA-N 0 0 377.397 2.526 10 0 GFAERN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC(=O)NC1CCCC1)nc2C ZINC000020563499 207202707 /nfs/dbraw/zinc/20/27/07/207202707.db2.gz CENMTJUGWMYBKK-UHFFFAOYSA-N 0 0 379.464 2.648 10 0 GFAERN CN(C)CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166623 207227262 /nfs/dbraw/zinc/22/72/62/207227262.db2.gz VUBLZLDMTVJGIY-UHFFFAOYSA-N 0 0 384.910 2.647 10 0 GFAERN CN1CCN(C(=O)CSCc2nc3cccnc3n2C2CCCCC2)CC1 ZINC000021650931 207233796 /nfs/dbraw/zinc/23/37/96/207233796.db2.gz CMFDATDKMLUPJO-UHFFFAOYSA-N 0 0 387.553 2.944 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)cc1 ZINC000021654614 207234125 /nfs/dbraw/zinc/23/41/25/207234125.db2.gz XLXSDMPAPXBIIF-UHFFFAOYSA-N 0 0 377.491 2.547 10 0 GFAERN CC(=O)Nc1ccc(C(=O)N2CC(=O)N3CCc4ccc(Cl)cc4[C@H]3C2)cc1 ZINC000022646514 207258225 /nfs/dbraw/zinc/25/82/25/207258225.db2.gz JDCZTOASHIAJBF-LJQANCHMSA-N 0 0 397.862 2.880 10 0 GFAERN COc1ccccc1CSc1nnc(Nc2cc(C)ccc2OC)c(=O)n1N ZINC000028536415 207343983 /nfs/dbraw/zinc/34/39/83/207343983.db2.gz BPHANPFAONMYKO-UHFFFAOYSA-N 0 0 399.476 2.714 10 0 GFAERN COc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000032603944 207399073 /nfs/dbraw/zinc/39/90/73/207399073.db2.gz CNMNVZNLIVAHIQ-HOTGVXAUSA-N 0 0 398.511 2.943 10 0 GFAERN NS(=O)(=O)c1ccc(CNC(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1 ZINC000033313408 207454142 /nfs/dbraw/zinc/45/41/42/207454142.db2.gz URJFRYCOLQKSTB-YWEYNIOJSA-N 0 0 385.272 2.970 10 0 GFAERN COc1cccc([C@H]2CN(C(=O)C3CC3)C[C@@H]2C(=O)NCc2ccccc2)c1 ZINC000036045729 207508458 /nfs/dbraw/zinc/50/84/58/207508458.db2.gz VKQBYLYHOWHBDW-RTWAWAEBSA-N 0 0 378.472 2.964 10 0 GFAERN CC(C)c1ccn(C2(C(=O)[O-])CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000077516543 208049907 /nfs/dbraw/zinc/04/99/07/208049907.db2.gz ZJVJUDLKNXKESV-UHFFFAOYSA-N 0 0 385.464 2.854 10 0 GFAERN COc1ccc(CS(=O)(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000095076383 208153054 /nfs/dbraw/zinc/15/30/54/208153054.db2.gz OLCJTGQUUKFKEF-INIZCTEOSA-N 0 0 398.525 2.904 10 0 GFAERN CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H]1COc2ccccc2O1 ZINC000095075101 208153801 /nfs/dbraw/zinc/15/38/01/208153801.db2.gz OHMCGIFLFFWTPE-CRAIPNDOSA-N 0 0 390.480 2.932 10 0 GFAERN Nc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)n1 ZINC000095937801 208239763 /nfs/dbraw/zinc/23/97/63/208239763.db2.gz SFPXEHBSOUQRCT-UHFFFAOYSA-N 0 0 385.836 2.966 10 0 GFAERN NC(=S)c1cn(S(=O)(=O)c2ccccc2)c2ncc(Br)cc12 ZINC000095937220 208240179 /nfs/dbraw/zinc/24/01/79/208240179.db2.gz MNYBJMFHRWUTSD-UHFFFAOYSA-N 0 0 396.291 2.670 10 0 GFAERN COCCn1c(C[C@@H]2CCN(C(=O)c3ccc(OC)cc3)C2)nc2cccnc21 ZINC000096310566 208306337 /nfs/dbraw/zinc/30/63/37/208306337.db2.gz JIZQMAGLTKDDOD-INIZCTEOSA-N 0 0 394.475 2.791 10 0 GFAERN CC(C)Cn1c2cnccc2nc1[C@H]1CCN(S(=O)(=O)c2cccnc2)C1 ZINC000096310634 208307140 /nfs/dbraw/zinc/30/71/40/208307140.db2.gz VZMDQTJOKNSKKQ-HNNXBMFYSA-N 0 0 385.493 2.661 10 0 GFAERN CCOc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)CC12CCCCC2 ZINC000096309583 208304172 /nfs/dbraw/zinc/30/41/72/208304172.db2.gz BFMPJHUPLQSIGN-OAHLLOKOSA-N 0 0 380.510 2.866 10 0 GFAERN O=S(=O)(NCC1CCN(c2cc(-c3cccnc3)[nH]n2)CC1)c1ccccc1 ZINC000096398198 208314324 /nfs/dbraw/zinc/31/43/24/208314324.db2.gz BOQANKXAZAQCLO-UHFFFAOYSA-N 0 0 397.504 2.667 10 0 GFAERN COCn1c(I)cc2c1ncc(C(=O)OC)c2Cl ZINC000098180196 208370508 /nfs/dbraw/zinc/37/05/08/208370508.db2.gz BFLIZXOJMLSREU-UHFFFAOYSA-N 0 0 380.569 2.685 10 0 GFAERN COC(=O)[C@H]1CN(Cc2ccc(OC)cc2)C[C@H]1NC(=O)OCc1ccccc1 ZINC000301054776 209093303 /nfs/dbraw/zinc/09/33/03/209093303.db2.gz JWNOQNSQBPBFLF-VQTJNVASSA-N 0 0 398.459 2.595 10 0 GFAERN Cn1cccc1C(=O)N1C[C@@H](C(=O)Nc2ccc(F)cc2)C2(C1)CCOCC2 ZINC000096310231 209014411 /nfs/dbraw/zinc/01/44/11/209014411.db2.gz SYYARDHNSJXYLS-KRWDZBQOSA-N 0 0 385.439 2.672 10 0 GFAERN Cn1cccc1C(=O)N1C[C@H](C(=O)Nc2ccc(F)cc2)C2(C1)CCOCC2 ZINC000096310230 209014584 /nfs/dbraw/zinc/01/45/84/209014584.db2.gz SYYARDHNSJXYLS-QGZVFWFLSA-N 0 0 385.439 2.672 10 0 GFAERN C[C@H]1C[C@H](O)CN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000401709398 563534932 /nfs/dbraw/zinc/53/49/32/563534932.db2.gz SFXJXDZRXKDVLB-WPRPVWTQSA-N 0 0 379.625 2.788 10 0 GFAERN C[C@@H]1C[C@@H](O)CN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000401709396 563535494 /nfs/dbraw/zinc/53/54/94/563535494.db2.gz SFXJXDZRXKDVLB-PSASIEDQSA-N 0 0 379.625 2.788 10 0 GFAERN CC(=O)NCc1csc(C2CCN(S(=O)(=O)c3cccc(C)c3)CC2)n1 ZINC000065173190 222106440 /nfs/dbraw/zinc/10/64/40/222106440.db2.gz GWELOIKADIQZDH-UHFFFAOYSA-N 0 0 393.534 2.656 10 0 GFAERN CC(C)(C)OC(=O)NCCc1cc(C=O)cc(I)n1 ZINC000095767625 222359964 /nfs/dbraw/zinc/35/99/64/222359964.db2.gz IOEHNXDUXXBCRZ-UHFFFAOYSA-N 0 0 376.194 2.566 10 0 GFAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCOCC(F)(F)F ZINC000029101979 551125414 /nfs/dbraw/zinc/12/54/14/551125414.db2.gz SIXLZHDHTWNJQR-CYBMUJFWSA-N 0 0 380.794 2.790 10 0 GFAERN COC(=O)C[C@@H](NC(=O)NCc1ccncc1)c1cccc(Br)c1 ZINC000054820170 551170768 /nfs/dbraw/zinc/17/07/68/551170768.db2.gz BXSHSKKEUUXCGD-OAHLLOKOSA-N 0 0 392.253 2.948 10 0 GFAERN Cc1cc(Br)ccc1SCC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000054814796 551170899 /nfs/dbraw/zinc/17/08/99/551170899.db2.gz GVWITKFHGSBRLR-CYBMUJFWSA-N 0 0 385.327 2.929 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NCc2cc(F)cc(Br)c2)ncn1 ZINC000110254756 551203840 /nfs/dbraw/zinc/20/38/40/551203840.db2.gz LMEJSFXUZFXTCE-AWEZNQCLSA-N 0 0 381.249 2.951 10 0 GFAERN CCc1nc(CNC(=O)N2CCCN(Cc3csc(C)n3)CC2)cs1 ZINC000116431110 551213525 /nfs/dbraw/zinc/21/35/25/551213525.db2.gz FRFPXBZUXJVAEC-UHFFFAOYSA-N 0 0 379.555 2.888 10 0 GFAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000119426803 551216238 /nfs/dbraw/zinc/21/62/38/551216238.db2.gz VLZCESVNJYEYEF-UHFFFAOYSA-N 0 0 391.269 2.527 10 0 GFAERN O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119481466 551216901 /nfs/dbraw/zinc/21/69/01/551216901.db2.gz PQDYPEZHYXGNBE-UHFFFAOYSA-N 0 0 395.232 2.656 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000120973933 551223800 /nfs/dbraw/zinc/22/38/00/551223800.db2.gz QZVRQZGDZWMIGP-KGLIPLIRSA-N 0 0 386.235 2.708 10 0 GFAERN COc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c(I)c1 ZINC000121194724 551229259 /nfs/dbraw/zinc/22/92/59/551229259.db2.gz YHYWZFPUZYGWFA-ZANVPECISA-N 0 0 375.206 2.597 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000121683421 551239712 /nfs/dbraw/zinc/23/97/12/551239712.db2.gz BZRXEMTZYDQGNT-LBPRGKRZSA-N 0 0 382.251 2.737 10 0 GFAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000121688959 551239966 /nfs/dbraw/zinc/23/99/66/551239966.db2.gz UVANMUHKPZSVSZ-ACJLOTCBSA-N 0 0 385.913 2.901 10 0 GFAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123116098 551303002 /nfs/dbraw/zinc/30/30/02/551303002.db2.gz PLAZCFOYUDEWPE-APPDUMDISA-N 0 0 399.260 2.680 10 0 GFAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123115659 551303226 /nfs/dbraw/zinc/30/32/26/551303226.db2.gz PLAZCFOYUDEWPE-PIGZYNQJSA-N 0 0 399.260 2.680 10 0 GFAERN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000123128654 551303516 /nfs/dbraw/zinc/30/35/16/551303516.db2.gz NLHIAFFWBZXNQM-DZGCQCFKSA-N 0 0 399.304 2.700 10 0 GFAERN O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123141598 551303572 /nfs/dbraw/zinc/30/35/72/551303572.db2.gz YPQRWBRLMPILBZ-DIFFPNOSSA-N 0 0 399.260 2.680 10 0 GFAERN Cc1ccc(Br)c(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000129231242 551355169 /nfs/dbraw/zinc/35/51/69/551355169.db2.gz OLYFUZBCIBFPBP-CZUORRHYSA-N 0 0 382.302 2.942 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccnc(Cl)c1I ZINC000131027815 551371403 /nfs/dbraw/zinc/37/14/03/551371403.db2.gz IUWYPYYAVXXDME-WPRPVWTQSA-N 0 0 394.640 2.621 10 0 GFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000132084156 551376568 /nfs/dbraw/zinc/37/65/68/551376568.db2.gz QOGLZDGTRRPLFU-UHFFFAOYSA-N 0 0 381.885 2.840 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)Nc3ccccc3Br)CC2)cn1 ZINC000136690666 551389800 /nfs/dbraw/zinc/38/98/00/551389800.db2.gz INEIOFIMHYOFJM-UHFFFAOYSA-N 0 0 392.301 2.922 10 0 GFAERN COCCN1CCN(C(=O)CCCc2ccccc2Br)C[C@@H]1C ZINC000152476600 551434078 /nfs/dbraw/zinc/43/40/78/551434078.db2.gz UWPHAXPWBXCSSS-HNNXBMFYSA-N 0 0 383.330 2.951 10 0 GFAERN CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1F ZINC000153676971 551458182 /nfs/dbraw/zinc/45/81/82/551458182.db2.gz MBBMQGNVVLFFSE-INIZCTEOSA-N 0 0 383.466 2.585 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000153978694 551464460 /nfs/dbraw/zinc/46/44/60/551464460.db2.gz KKGATYALNSTYDN-QUBYGPBYSA-N 0 0 381.148 2.811 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCc1cc(Br)cs1 ZINC000155075735 551490713 /nfs/dbraw/zinc/49/07/13/551490713.db2.gz WJDGFDJANTZAGK-GFCCVEGCSA-N 0 0 399.314 2.832 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000155134006 551492113 /nfs/dbraw/zinc/49/21/13/551492113.db2.gz NKEKTFAETGTOFV-SWLSCSKDSA-N 0 0 398.301 2.953 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000155224820 551494927 /nfs/dbraw/zinc/49/49/27/551494927.db2.gz SNVBIEOKKVNLJL-OCCSQVGLSA-N 0 0 380.432 2.625 10 0 GFAERN O=S(=O)(c1cc(F)ccc1Br)N1CCO[C@H]2CCCC[C@@H]21 ZINC000155385965 551499005 /nfs/dbraw/zinc/49/90/05/551499005.db2.gz NRBKERBIZHWILH-STQMWFEESA-N 0 0 378.263 2.920 10 0 GFAERN O=C(CSc1nncn1-c1cccc(Cl)c1)NC[C@H]1CCCC[C@H]1O ZINC000155939168 551511242 /nfs/dbraw/zinc/51/12/42/551511242.db2.gz QMGITRKWCGOSFM-IUODEOHRSA-N 0 0 380.901 2.680 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)cc2OC)C1 ZINC000157043988 551532570 /nfs/dbraw/zinc/53/25/70/551532570.db2.gz NKAIYGGXEGEFCE-CYBMUJFWSA-N 0 0 383.286 2.979 10 0 GFAERN O=S(=O)(Cc1ccc(Cl)nc1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158553365 551553454 /nfs/dbraw/zinc/55/34/54/551553454.db2.gz YEUILRPQZIJUSV-WFASDCNBSA-N 0 0 388.823 2.651 10 0 GFAERN CC[C@@H](CNC(=O)N1CCC[C@H]1C(=O)NC)Cc1cccc(Br)c1 ZINC000158768328 551556795 /nfs/dbraw/zinc/55/67/95/551556795.db2.gz RWLKVCJNCHXFJW-CJNGLKHVSA-N 0 0 396.329 2.938 10 0 GFAERN COC(=O)[C@H]1CCCN1C(=O)c1cc(Br)ccc1Br ZINC000160111980 551575937 /nfs/dbraw/zinc/57/59/37/551575937.db2.gz FBZNRTHAVDKPKU-LLVKDONJSA-N 0 0 391.059 2.989 10 0 GFAERN CCn1c(-c2ccc(C)c(Br)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000162403930 551607972 /nfs/dbraw/zinc/60/79/72/551607972.db2.gz KDKOPUKXPGXRGH-UHFFFAOYSA-N 0 0 377.242 2.664 10 0 GFAERN O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(Nc2cccnn2)CC1 ZINC000163517600 551620817 /nfs/dbraw/zinc/62/08/17/551620817.db2.gz OFNDPZGCFHVIQJ-INIZCTEOSA-N 0 0 381.263 2.920 10 0 GFAERN C[C@@H]1CN(C(=O)CCCc2ccccc2Br)C[C@H]1N1CCOCC1 ZINC000164423076 551625831 /nfs/dbraw/zinc/62/58/31/551625831.db2.gz LNSZDLYSVWTJLP-CRAIPNDOSA-N 0 0 395.341 2.951 10 0 GFAERN Cc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1ccccc1Br)CC2 ZINC000170756256 551639355 /nfs/dbraw/zinc/63/93/55/551639355.db2.gz FAYOSLSWMABPOF-PWSUYJOCSA-N 0 0 378.274 2.724 10 0 GFAERN CC(C)n1nnnc1CS(=O)(=O)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000171063884 551645534 /nfs/dbraw/zinc/64/55/34/551645534.db2.gz VMCIHUDQRWQXLT-UHFFFAOYSA-N 0 0 381.845 2.677 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000171074012 551645800 /nfs/dbraw/zinc/64/58/00/551645800.db2.gz CNXWDPGQEGKAMX-IINYFYTJSA-N 0 0 391.320 2.919 10 0 GFAERN CCn1cc(Br)cc1C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000172434085 551678993 /nfs/dbraw/zinc/67/89/93/551678993.db2.gz UXQPITCTPNTYOJ-AWEZNQCLSA-N 0 0 392.301 2.802 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)C3(c4cccc(Br)c4)CC3)CCO2)[nH]1 ZINC000173090317 551695214 /nfs/dbraw/zinc/69/52/14/551695214.db2.gz LGRAVZSFPWFGSP-CQSZACIVSA-N 0 0 391.269 2.507 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)CCc3cc(Br)cs3)CCO2)[nH]1 ZINC000173096372 551695817 /nfs/dbraw/zinc/69/58/17/551695817.db2.gz KMSYRKLKCKIBFW-LBPRGKRZSA-N 0 0 399.314 2.724 10 0 GFAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2S(C)(=O)=O)o1 ZINC000173300891 552082004 /nfs/dbraw/zinc/08/20/04/552082004.db2.gz RAKHRXAZUAZLKS-AWEZNQCLSA-N 0 0 383.491 2.907 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3SCCc4sccc43)CCO2)n1 ZINC000173302173 552082108 /nfs/dbraw/zinc/08/21/08/552082108.db2.gz VHFXSSKATXQBIT-WMLDXEAASA-N 0 0 377.535 2.819 10 0 GFAERN O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000173836299 552093664 /nfs/dbraw/zinc/09/36/64/552093664.db2.gz GQTUYRAKJBWXMQ-LLVKDONJSA-N 0 0 391.827 2.991 10 0 GFAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000173856791 552094730 /nfs/dbraw/zinc/09/47/30/552094730.db2.gz KIVMNEAKJCGIPG-KBPBESRZSA-N 0 0 393.285 2.747 10 0 GFAERN COC(=O)c1ccsc1N1CC[C@@H](N2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000173857227 552094880 /nfs/dbraw/zinc/09/48/80/552094880.db2.gz RMWBFBCSOICSDF-CMPLNLGQSA-N 0 0 376.400 2.914 10 0 GFAERN O=C(Nc1cc(F)c(F)cc1I)N[C@@H]1CCCC[C@@H]1O ZINC000174430175 552104074 /nfs/dbraw/zinc/10/40/74/552104074.db2.gz WFLLGYLUFACEPD-PWSUYJOCSA-N 0 0 396.175 2.994 10 0 GFAERN CCc1nnc(NC(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)s1 ZINC000175086171 552115492 /nfs/dbraw/zinc/11/54/92/552115492.db2.gz ISEHGEOGRLFOAT-GFCCVEGCSA-N 0 0 381.527 2.665 10 0 GFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)c1ccccc1F ZINC000175212755 552117217 /nfs/dbraw/zinc/11/72/17/552117217.db2.gz IEKOKVKOLDNDCD-HNNXBMFYSA-N 0 0 384.498 2.581 10 0 GFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)c1cccc(F)c1 ZINC000175211440 552117555 /nfs/dbraw/zinc/11/75/55/552117555.db2.gz VNKINYXUMABTEM-INIZCTEOSA-N 0 0 384.498 2.581 10 0 GFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000175213405 552117976 /nfs/dbraw/zinc/11/79/76/552117976.db2.gz PCASERZUZXXIMX-INIZCTEOSA-N 0 0 384.498 2.581 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1ccc(Br)cc1 ZINC000175792257 552129239 /nfs/dbraw/zinc/12/92/39/552129239.db2.gz SSNUVPYZKRHJBJ-CQSZACIVSA-N 0 0 378.274 2.726 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)[C@@H]1CCCO1 ZINC000175951118 552132816 /nfs/dbraw/zinc/13/28/16/552132816.db2.gz KILGJFZNXQTJEW-MADCSZMMSA-N 0 0 393.640 2.864 10 0 GFAERN O=C(Nc1cc(Br)c(F)cc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000176007867 552134446 /nfs/dbraw/zinc/13/44/46/552134446.db2.gz WNJYRBCETGSJOW-PWSUYJOCSA-N 0 0 393.640 2.600 10 0 GFAERN CCCn1cc(CN2CCCN(C(=O)c3occc3Br)CC2)cn1 ZINC000176011767 552134544 /nfs/dbraw/zinc/13/45/44/552134544.db2.gz ZTEXQRDVHFRJOE-UHFFFAOYSA-N 0 0 395.301 2.997 10 0 GFAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000176350069 552139332 /nfs/dbraw/zinc/13/93/32/552139332.db2.gz WEQZDQHUQXCZJV-HNNXBMFYSA-N 0 0 382.917 2.636 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000177003741 552149635 /nfs/dbraw/zinc/14/96/35/552149635.db2.gz JNBJNACWHBZYIB-NSHDSACASA-N 0 0 378.351 2.558 10 0 GFAERN CN(CCc1ccc(Br)cc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177360415 552153990 /nfs/dbraw/zinc/15/39/90/552153990.db2.gz SVZAZJKQYCMVCN-AWEZNQCLSA-N 0 0 378.274 2.760 10 0 GFAERN O=C(COc1ccc(Br)cc1Cl)N[C@@H]1CCCn2ncnc21 ZINC000177612214 552156064 /nfs/dbraw/zinc/15/60/64/552156064.db2.gz QQHLYTDEADDYCV-LLVKDONJSA-N 0 0 385.649 2.724 10 0 GFAERN C[C@H](N1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000178268123 552167960 /nfs/dbraw/zinc/16/79/60/552167960.db2.gz PJSQCPNQXYVGAC-XJKSGUPXSA-N 0 0 380.838 2.786 10 0 GFAERN COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000178834389 552176766 /nfs/dbraw/zinc/17/67/66/552176766.db2.gz MLIYOIDIBCSAEU-ZDUSSCGKSA-N 0 0 384.454 2.985 10 0 GFAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)C(C)C ZINC000178928835 552179878 /nfs/dbraw/zinc/17/98/78/552179878.db2.gz DZKQUSVSBMRULJ-CQSZACIVSA-N 0 0 383.539 2.643 10 0 GFAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cc(I)c(F)cc1F ZINC000179235539 552187901 /nfs/dbraw/zinc/18/79/01/552187901.db2.gz HFMZHYPCTDMKQC-OQPBUACISA-N 0 0 395.187 2.850 10 0 GFAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000179236665 552187983 /nfs/dbraw/zinc/18/79/83/552187983.db2.gz YCVIHIQDLXQMRS-YGRLFVJLSA-N 0 0 379.254 2.572 10 0 GFAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cc(F)c(F)cc1I ZINC000179229874 552187992 /nfs/dbraw/zinc/18/79/92/552187992.db2.gz WCQJDOWNUUIYPR-ISVAXAHUSA-N 0 0 395.187 2.850 10 0 GFAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cn1 ZINC000180264323 552219855 /nfs/dbraw/zinc/21/98/55/552219855.db2.gz ZUBYANIUGFHLOB-QMMMGPOBSA-N 0 0 381.326 2.641 10 0 GFAERN CCCc1cc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)n(C)n1 ZINC000180574790 552230215 /nfs/dbraw/zinc/23/02/15/552230215.db2.gz RWCAEXRLNRTQEY-LLVKDONJSA-N 0 0 393.285 2.951 10 0 GFAERN C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)c1ccc(F)c(Cl)c1 ZINC000180922037 552240275 /nfs/dbraw/zinc/24/02/75/552240275.db2.gz FDOSPPXTBINRIU-SNVBAGLBSA-N 0 0 387.864 2.559 10 0 GFAERN COC(=O)c1ccc(Cl)c(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000181573922 552261319 /nfs/dbraw/zinc/26/13/19/552261319.db2.gz LRJPNBGALAPCGK-LLVKDONJSA-N 0 0 382.869 2.625 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C)CCO2)c1 ZINC000181801735 552268050 /nfs/dbraw/zinc/26/80/50/552268050.db2.gz MEJNRQULBSVCIK-KRWDZBQOSA-N 0 0 392.297 2.733 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1)C(C)C ZINC000182159073 552277099 /nfs/dbraw/zinc/27/70/99/552277099.db2.gz PRPKRMKEKPVSKI-OAHLLOKOSA-N 0 0 383.279 2.988 10 0 GFAERN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000182377734 552282175 /nfs/dbraw/zinc/28/21/75/552282175.db2.gz VHCCOGADKQXYNT-KYOSRNDESA-N 0 0 392.304 2.764 10 0 GFAERN CC[N@H+](CCO)CCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183985493 552324515 /nfs/dbraw/zinc/32/45/15/552324515.db2.gz LYXQNLPDONIUPT-NVXWUHKLSA-N 0 0 389.323 2.892 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C12CCOCC2 ZINC000185149577 552355102 /nfs/dbraw/zinc/35/51/02/552355102.db2.gz CHSBSGNIXJOUQF-LSDHHAIUSA-N 0 0 377.865 2.732 10 0 GFAERN COCCCCS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000185377717 552362141 /nfs/dbraw/zinc/36/21/41/552362141.db2.gz AOZWGMGXZWQYEW-LSDHHAIUSA-N 0 0 381.416 2.570 10 0 GFAERN COC(=O)C[C@@H](NC(=O)NCCOC(C)C)c1cccc(Br)c1 ZINC000185602741 552367096 /nfs/dbraw/zinc/36/70/96/552367096.db2.gz YCHCHLNVJDLZHN-CQSZACIVSA-N 0 0 387.274 2.778 10 0 GFAERN C[C@H](NC(=O)c1ccco1)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000186520474 552390323 /nfs/dbraw/zinc/39/03/23/552390323.db2.gz OHQKNZPIBOQCTH-JTQLQIEISA-N 0 0 390.237 2.958 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000186650693 552393625 /nfs/dbraw/zinc/39/36/25/552393625.db2.gz ZBTWYHXGMCHINV-INIZCTEOSA-N 0 0 384.929 2.971 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)c(C)nc1OC ZINC000186783867 552397506 /nfs/dbraw/zinc/39/75/06/552397506.db2.gz OZGJFJNIBQKIBC-GFCCVEGCSA-N 0 0 394.273 2.580 10 0 GFAERN C[C@H](NC(=O)[C@H]1COCCN1CC(F)F)c1ccccc1Br ZINC000186925240 552401537 /nfs/dbraw/zinc/40/15/37/552401537.db2.gz REXHLMXHOMXJOI-GXFFZTMASA-N 0 0 377.229 2.592 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)COc2cccc(Br)c2)C12CCOCC2 ZINC000187041244 552404633 /nfs/dbraw/zinc/40/46/33/552404633.db2.gz SDOKFBKJYARWBJ-JKSUJKDBSA-N 0 0 398.297 2.918 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)COc2cccc(Br)c2)C12CCOCC2 ZINC000187041284 552404774 /nfs/dbraw/zinc/40/47/74/552404774.db2.gz SDOKFBKJYARWBJ-HZPDHXFCSA-N 0 0 398.297 2.918 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)c2cc(Br)ccc2O)C12CCOCC2 ZINC000187150993 552407995 /nfs/dbraw/zinc/40/79/95/552407995.db2.gz YVGDICAPGSNANK-CABCVRRESA-N 0 0 384.270 2.859 10 0 GFAERN Cc1cc(Br)cc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000187517247 552417728 /nfs/dbraw/zinc/41/77/28/552417728.db2.gz IBSLSSDNFDODNN-CJNGLKHVSA-N 0 0 382.302 2.942 10 0 GFAERN O=C(NCCOc1ncccc1Cl)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187574261 552419318 /nfs/dbraw/zinc/41/93/18/552419318.db2.gz CTWKJYLQLUGZGJ-KBPBESRZSA-N 0 0 381.885 2.593 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cc(I)ccc1C ZINC000187639656 552420977 /nfs/dbraw/zinc/42/09/77/552420977.db2.gz LEABKBZIRCDTNZ-OAHLLOKOSA-N 0 0 387.217 2.767 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cc(Br)ccc1C ZINC000187793379 552424317 /nfs/dbraw/zinc/42/43/17/552424317.db2.gz HIUKXWIWYXWERE-AWEZNQCLSA-N 0 0 378.274 2.992 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000188152002 552437125 /nfs/dbraw/zinc/43/71/25/552437125.db2.gz RUCADIQPWNZDDD-LBPRGKRZSA-N 0 0 398.282 2.831 10 0 GFAERN O=C(Cc1ccc(F)cc1Br)N[C@H]1CCCN(c2cccnn2)C1 ZINC000188165270 552437566 /nfs/dbraw/zinc/43/75/66/552437566.db2.gz VEILIRPYVCIPNE-AWEZNQCLSA-N 0 0 393.260 2.706 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000188227178 552439600 /nfs/dbraw/zinc/43/96/00/552439600.db2.gz UCRTUBRMLUDADN-PXAZEXFGSA-N 0 0 383.286 2.928 10 0 GFAERN CCCCOc1ccc(CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1Cl ZINC000188725694 552453460 /nfs/dbraw/zinc/45/34/60/552453460.db2.gz IXSYDDMRJWEPEY-CYBMUJFWSA-N 0 0 388.917 2.847 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3nc(Br)cs3)CC2)s1 ZINC000188860930 552456886 /nfs/dbraw/zinc/45/68/86/552456886.db2.gz MGOSBKODVKKRPH-UHFFFAOYSA-N 0 0 387.328 2.629 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)CCCCOc1ccc(Br)cc1 ZINC000188886856 552458179 /nfs/dbraw/zinc/45/81/79/552458179.db2.gz LWTXVYBWSKVTIM-CYBMUJFWSA-N 0 0 383.286 2.735 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000189186291 552465637 /nfs/dbraw/zinc/46/56/37/552465637.db2.gz KAFNWSAAVIDSAM-TVQRCGJNSA-N 0 0 392.264 2.836 10 0 GFAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3cc(C)c(F)cc3Cl)CCO2)cn1 ZINC000189226810 552466093 /nfs/dbraw/zinc/46/60/93/552466093.db2.gz CJYWHGCXFGITSD-HNNXBMFYSA-N 0 0 387.864 2.766 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)Cc2ccc(C)c(Br)c2)n1 ZINC000189860150 552481451 /nfs/dbraw/zinc/48/14/51/552481451.db2.gz ZZSLHFLOGHCJSC-AWEZNQCLSA-N 0 0 380.242 2.592 10 0 GFAERN O=C(Nc1ccc(Br)c(Cl)c1Cl)C(=O)N1CCC[C@@H]1CO ZINC000189932874 552483340 /nfs/dbraw/zinc/48/33/40/552483340.db2.gz MTZPRPGJPHCKHR-SSDOTTSWSA-N 0 0 396.068 2.678 10 0 GFAERN CCOc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1Br ZINC000190425615 552495978 /nfs/dbraw/zinc/49/59/78/552495978.db2.gz DBDKKCXZESWQEO-NSHDSACASA-N 0 0 380.246 2.576 10 0 GFAERN CCc1csc([C@H]2CCCN(S(=O)(=O)CCCCCC(=O)OC)C2)n1 ZINC000190726273 552507005 /nfs/dbraw/zinc/50/70/05/552507005.db2.gz ZCQMMYTUVSXKAG-AWEZNQCLSA-N 0 0 388.555 2.948 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190738367 552507554 /nfs/dbraw/zinc/50/75/54/552507554.db2.gz IHVYQBVRWLKJPY-NSHDSACASA-N 0 0 377.199 2.625 10 0 GFAERN Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000190875323 552512060 /nfs/dbraw/zinc/51/20/60/552512060.db2.gz KZHHVPCMIXBHDD-LBPRGKRZSA-N 0 0 386.265 2.835 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3nc(Br)ccc3C)CCO2)n1 ZINC000191518116 552530129 /nfs/dbraw/zinc/53/01/29/552530129.db2.gz RKTRJUVQSRDDKV-AWEZNQCLSA-N 0 0 393.285 2.507 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Cc3ccc(Br)c(F)c3)CCO2)cn1 ZINC000191752462 552536981 /nfs/dbraw/zinc/53/69/81/552536981.db2.gz ALQJEKKPPHWVSL-MRXNPFEDSA-N 0 0 396.260 2.947 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CCO2)cn1 ZINC000191753059 552537026 /nfs/dbraw/zinc/53/70/26/552537026.db2.gz VTMVEPXMTJXHMO-HZPDHXFCSA-N 0 0 384.263 2.843 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000191760626 552537099 /nfs/dbraw/zinc/53/70/99/552537099.db2.gz QZHTZCXCHNGUKN-CYBMUJFWSA-N 0 0 379.298 2.998 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)COc3ccccc3Br)CCO2)cn1 ZINC000191765992 552537410 /nfs/dbraw/zinc/53/74/10/552537410.db2.gz AAFFCPCMVCFBMQ-MRXNPFEDSA-N 0 0 394.269 2.644 10 0 GFAERN O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000192075182 552549527 /nfs/dbraw/zinc/54/95/27/552549527.db2.gz PGJWQOFWESLKHS-KOLCDFICSA-N 0 0 389.677 2.708 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1N1CCOCC1 ZINC000192138880 552553094 /nfs/dbraw/zinc/55/30/94/552553094.db2.gz CNNBTVHPLLNCPU-MEBBXXQBSA-N 0 0 389.240 2.520 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000192311538 552559535 /nfs/dbraw/zinc/55/95/35/552559535.db2.gz PHVGZAOJZBLQDX-LLVKDONJSA-N 0 0 385.255 2.970 10 0 GFAERN COC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c1Br ZINC000192424947 552562979 /nfs/dbraw/zinc/56/29/79/552562979.db2.gz GIWIGSVXVFJBMQ-PWSUYJOCSA-N 0 0 385.258 2.908 10 0 GFAERN Cc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)cc1S(N)(=O)=O ZINC000193017714 552980387 /nfs/dbraw/zinc/98/03/87/552980387.db2.gz NQRFKDMABMCXQZ-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN C[C@H](NC(=O)NCCc1ccc(Cl)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000193110040 552983801 /nfs/dbraw/zinc/98/38/01/552983801.db2.gz BJPVJPPTJHQSLM-JTQLQIEISA-N 0 0 387.914 2.652 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@@H]1CCOC[C@@H]1C)c1cccc(Br)c1 ZINC000194128030 553012415 /nfs/dbraw/zinc/01/24/15/553012415.db2.gz NARKUKTXRCSLBP-GLQYFDAESA-N 0 0 384.270 2.842 10 0 GFAERN Cc1csc([C@H]2CN(CC(=O)NCCc3ccc(Cl)cc3)CCO2)n1 ZINC000195391275 553046850 /nfs/dbraw/zinc/04/68/50/553046850.db2.gz YKXFIUWOMMEWIE-MRXNPFEDSA-N 0 0 379.913 2.837 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(Br)cc1O)CC2 ZINC000195405221 553047775 /nfs/dbraw/zinc/04/77/75/553047775.db2.gz XVEBBMDMZNMWDJ-LLVKDONJSA-N 0 0 379.258 2.614 10 0 GFAERN CCn1cc(C2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)cn1 ZINC000195499291 553050872 /nfs/dbraw/zinc/05/08/72/553050872.db2.gz ORCADCCNNXXGFP-UHFFFAOYSA-N 0 0 392.301 2.879 10 0 GFAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000245888274 553098503 /nfs/dbraw/zinc/09/85/03/553098503.db2.gz DZBPCKMIWCUCQO-CHWSQXEVSA-N 0 0 382.283 2.506 10 0 GFAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000246121768 553102762 /nfs/dbraw/zinc/10/27/62/553102762.db2.gz AVGKUTYXCCUMAX-YMTOWFKASA-N 0 0 384.267 2.820 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(F)(F)F)NC3=O)C2)n1 ZINC000246937568 553115940 /nfs/dbraw/zinc/11/59/40/553115940.db2.gz JUIMSGKHTIHAFQ-WOPDTQHZSA-N 0 0 375.416 2.615 10 0 GFAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)o1 ZINC000248257494 553128147 /nfs/dbraw/zinc/12/81/47/553128147.db2.gz PAXJXDFOCSBWRI-KBPBESRZSA-N 0 0 382.507 2.988 10 0 GFAERN C[C@@H]1CSCCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)N2CCSC[C@@H](C)C2)C1 ZINC000249140376 553139770 /nfs/dbraw/zinc/13/97/70/553139770.db2.gz ZHIGSAPGUUPGND-LUKYLMHMSA-N 0 0 384.611 2.826 10 0 GFAERN Cc1csc([C@H]2CCCN(C[C@@H](O)c3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000249907664 553146891 /nfs/dbraw/zinc/14/68/91/553146891.db2.gz VFZPQRXXGHMQOM-DOTOQJQBSA-N 0 0 380.535 2.768 10 0 GFAERN O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000252734018 553150503 /nfs/dbraw/zinc/15/05/03/553150503.db2.gz XUZWRMKGJGPRCT-GLEZIHRCSA-N 0 0 385.354 2.698 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(Cl)c(Cl)cc2OC)C1 ZINC000262757185 553175183 /nfs/dbraw/zinc/17/51/83/553175183.db2.gz ZFYBBSDTDRIJBA-UHFFFAOYSA-N 0 0 375.252 2.669 10 0 GFAERN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1CC(F)(F)CN1 ZINC000262957330 553179440 /nfs/dbraw/zinc/17/94/40/553179440.db2.gz KHWWPESLEFFNMI-KBPBESRZSA-N 0 0 375.822 2.729 10 0 GFAERN Cc1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c(Br)s1 ZINC000262995123 553180059 /nfs/dbraw/zinc/18/00/59/553180059.db2.gz WCVVMRRBBWJVCA-NSHDSACASA-N 0 0 389.315 2.830 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000263566489 553189640 /nfs/dbraw/zinc/18/96/40/553189640.db2.gz GBWHYSCNOVQARX-UHFFFAOYSA-N 0 0 385.302 2.699 10 0 GFAERN CCc1cc(N2CCN(Cc3ccc(Br)cn3)CC2)nc(C)n1 ZINC000302057787 563419655 /nfs/dbraw/zinc/41/96/55/563419655.db2.gz RHVUVZNSBVVIMX-UHFFFAOYSA-N 0 0 376.302 2.827 10 0 GFAERN O=C(Nc1ccc(Br)cc1)c1cccnc1NCCn1ccnn1 ZINC000302183736 563423081 /nfs/dbraw/zinc/42/30/81/563423081.db2.gz OMZIHZSCGFOIBK-UHFFFAOYSA-N 0 0 387.241 2.800 10 0 GFAERN C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)C[C@H]1N1CCOCC1 ZINC000302531031 563426096 /nfs/dbraw/zinc/42/60/96/563426096.db2.gz QHCHSSSCIKAZNV-XJKSGUPXSA-N 0 0 378.929 2.939 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(S(=O)(=O)c2cc(C)c(C)s2)C1 ZINC000328638804 563462564 /nfs/dbraw/zinc/46/25/64/563462564.db2.gz WLQRFFWPCUXKJJ-QWHCGFSZSA-N 0 0 383.495 2.776 10 0 GFAERN O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000389135857 563521282 /nfs/dbraw/zinc/52/12/82/563521282.db2.gz FZHOCPWVYRZTAQ-NHYWBVRUSA-N 0 0 392.290 2.904 10 0 GFAERN CNc1c(N)cnc2c(Br)ccc(I)c21 ZINC000584882871 565102516 /nfs/dbraw/zinc/10/25/16/565102516.db2.gz XVEMNUHFAOMCKI-UHFFFAOYSA-N 0 0 378.011 2.648 10 0 GFAERN O=C(CCS(=O)(=O)c1cccc2nonc21)Nc1cccc2c1CCCC2 ZINC000003665101 570349865 /nfs/dbraw/zinc/34/98/65/570349865.db2.gz PHIWRLWXOBYZML-UHFFFAOYSA-N 0 0 385.445 2.904 10 0 GFAERN CCCNc1ncc(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)cn1 ZINC000220488144 570387105 /nfs/dbraw/zinc/38/71/05/570387105.db2.gz XVRLCJIIYGCJIR-FQEVSTJZSA-N 0 0 378.480 2.593 10 0 GFAERN CCCCOc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1 ZINC000224189889 570436016 /nfs/dbraw/zinc/43/60/16/570436016.db2.gz GXIMPMIIFVFNBN-UHFFFAOYSA-N 0 0 378.498 2.508 10 0 GFAERN CCC[C@H](O)CN(CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156763 570554203 /nfs/dbraw/zinc/55/42/03/570554203.db2.gz PFTPTHKGDDLVTM-AWEZNQCLSA-N 0 0 393.553 2.863 10 0 GFAERN Cc1noc(C)c1S(=O)(=O)N(C)CCc1noc(-c2ccccc2Cl)n1 ZINC000064841362 570561553 /nfs/dbraw/zinc/56/15/53/570561553.db2.gz NGGHLZXBXZADAL-UHFFFAOYSA-N 0 0 396.856 2.858 10 0 GFAERN Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(S(C)(=O)=O)nc21 ZINC000039060867 570589052 /nfs/dbraw/zinc/58/90/52/570589052.db2.gz BADVXFUKYQHVBO-UHFFFAOYSA-N 0 0 384.244 2.706 10 0 in-vitro GFAERN Cc1cc(C)n(CCNC(=O)c2cc(COc3c(F)cccc3F)on2)n1 ZINC000013595936 570660085 /nfs/dbraw/zinc/66/00/85/570660085.db2.gz KCVUTZJPUSNULX-UHFFFAOYSA-N 0 0 376.363 2.775 10 0 GFAERN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)NC[C@@H]3CCCO3)sc12 ZINC000065294120 570787005 /nfs/dbraw/zinc/78/70/05/570787005.db2.gz LBAOEECIXSTMCG-INIZCTEOSA-N 0 0 399.520 2.830 10 0 GFAERN Cc1nc(C)c(CN[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)nc1C ZINC000012590470 570883553 /nfs/dbraw/zinc/88/35/53/570883553.db2.gz RBGBXJWEVHFGNJ-SFHVURJKSA-N 0 0 396.539 2.832 10 0 GFAERN COC1(c2nc(-c3ccccn3)no2)CCN(Cc2nnc(C)n2C2CC2)CC1 ZINC000574827560 570998265 /nfs/dbraw/zinc/99/82/65/570998265.db2.gz OOEXFXKISLDGCS-UHFFFAOYSA-N 0 0 395.467 2.504 10 0 GFAERN Cc1nc2c(NCc3cccc(S(C)(=O)=O)c3)nccn2c1Br ZINC000498051077 650846758 /nfs/dbraw/zinc/84/67/58/650846758.db2.gz LBULOYRAFWHTHY-UHFFFAOYSA-N 0 0 395.282 2.816 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1Br ZINC000027951651 654567581 /nfs/dbraw/zinc/56/75/81/654567581.db2.gz CHHVRMAHNVSTTO-MRVPVSSYSA-N 0 0 378.679 2.876 10 0 GFAERN C[C@@H](C(=O)NCc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O ZINC000045363817 654667629 /nfs/dbraw/zinc/66/76/29/654667629.db2.gz UVIKATQNZYXCAS-NSHDSACASA-N 0 0 387.233 2.750 10 0 GFAERN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccs1 ZINC000051928934 654730802 /nfs/dbraw/zinc/73/08/02/654730802.db2.gz FFPPHSBPOHVADJ-ZDUSSCGKSA-N 0 0 380.491 2.848 10 0 GFAERN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000122975443 654748679 /nfs/dbraw/zinc/74/86/79/654748679.db2.gz XKJGJSAGTLLHHV-NSHDSACASA-N 0 0 386.520 2.868 10 0 GFAERN CSCCCNC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000124023502 654769154 /nfs/dbraw/zinc/76/91/54/654769154.db2.gz RDVACTLNENAYQQ-MRVPVSSYSA-N 0 0 375.277 2.847 10 0 GFAERN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000057085225 654799698 /nfs/dbraw/zinc/79/96/98/654799698.db2.gz JEAJOTOUQGZEPC-LBPRGKRZSA-N 0 0 385.482 2.831 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000129417325 654863338 /nfs/dbraw/zinc/86/33/38/654863338.db2.gz DJIRBVCLDVYWCE-PLWJUESGSA-N 0 0 382.873 2.503 10 0 GFAERN CC(C)[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)C(N)=O ZINC000131697366 654914171 /nfs/dbraw/zinc/91/41/71/654914171.db2.gz XANMBBULSNYCFF-ZDUSSCGKSA-N 0 0 386.235 2.800 10 0 GFAERN O=S(=O)(c1cccc(Br)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000132704541 654946426 /nfs/dbraw/zinc/94/64/26/654946426.db2.gz SJOAEOYCJIIACS-AWEZNQCLSA-N 0 0 383.267 2.686 10 0 GFAERN C[C@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1ccccc1Br ZINC000069917564 654989241 /nfs/dbraw/zinc/98/92/41/654989241.db2.gz KENCXGWMNDZTTC-QWRGUYRKSA-N 0 0 377.304 2.585 10 0 GFAERN CC[C@@H](C)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000070709453 654993765 /nfs/dbraw/zinc/99/37/65/654993765.db2.gz FZPJDJVLVAVYJL-CZUORRHYSA-N 0 0 378.519 2.778 10 0 GFAERN Cc1c(Cl)cccc1OCC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000134496437 654994361 /nfs/dbraw/zinc/99/43/61/654994361.db2.gz NTYYBLOIFCCNJG-LBPRGKRZSA-N 0 0 382.869 2.552 10 0 GFAERN C[C@@H](O)CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000136100013 655027606 /nfs/dbraw/zinc/02/76/06/655027606.db2.gz TTWLGBIIEDJSIW-GFCCVEGCSA-N 0 0 382.869 2.642 10 0 GFAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2COc3ccccc32)cc1Cl ZINC000104739179 655085164 /nfs/dbraw/zinc/08/51/64/655085164.db2.gz AHUQIJDIZQNKKK-CQSZACIVSA-N 0 0 384.816 2.850 10 0 GFAERN Cc1ncc(CN2CCN([C@@H](C)C(=O)Nc3cccnc3Cl)CC2)s1 ZINC000106090553 655102237 /nfs/dbraw/zinc/10/22/37/655102237.db2.gz MMUTUVMASLRRJS-LBPRGKRZSA-N 0 0 379.917 2.645 10 0 GFAERN Cc1ncc(CN2CCN([C@H](C)C(=O)Nc3cccnc3Cl)CC2)s1 ZINC000106090554 655102276 /nfs/dbraw/zinc/10/22/76/655102276.db2.gz MMUTUVMASLRRJS-GFCCVEGCSA-N 0 0 379.917 2.645 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000106368203 655107582 /nfs/dbraw/zinc/10/75/82/655107582.db2.gz VHQUYGJLEBIDSH-GFCCVEGCSA-N 0 0 399.314 2.629 10 0 GFAERN C[C@H]1CC[C@H](C(=O)Oc2cc([N+](=O)[O-])ccc2I)O1 ZINC000160335788 655120809 /nfs/dbraw/zinc/12/08/09/655120809.db2.gz YJSNJMGVHLXWDS-OIBJUYFYSA-N 0 0 377.134 2.672 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)C[C@@H]2CSCCS2)N2CCOCC2)s1 ZINC000160530478 655122744 /nfs/dbraw/zinc/12/27/44/655122744.db2.gz PJVNBQFELGKZIL-HUUCEWRRSA-N 0 0 386.608 2.785 10 0 GFAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000109169746 655143065 /nfs/dbraw/zinc/14/30/65/655143065.db2.gz GTYZGLRBOFVOBP-GFCCVEGCSA-N 0 0 382.429 2.540 10 0 GFAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000109361945 655145491 /nfs/dbraw/zinc/14/54/91/655145491.db2.gz OCLMJFOIHIDGAK-CYBMUJFWSA-N 0 0 387.933 2.762 10 0 GFAERN O=C(CCc1cccc(Br)c1)N1CCCN(c2cccnn2)CC1 ZINC000109631258 655149212 /nfs/dbraw/zinc/14/92/12/655149212.db2.gz UUNPGLLSCXLTNB-UHFFFAOYSA-N 0 0 389.297 2.911 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)c3cc(Br)cs3)CC2)nn1 ZINC000109635328 655149463 /nfs/dbraw/zinc/14/94/63/655149463.db2.gz HDNUMQXKDWNDOS-UHFFFAOYSA-N 0 0 381.299 2.962 10 0 GFAERN O=C(COc1cccc(Br)c1)N1CCC(Nc2cccnn2)CC1 ZINC000109639531 655149472 /nfs/dbraw/zinc/14/94/72/655149472.db2.gz AQIAVUUGWPFKNR-UHFFFAOYSA-N 0 0 391.269 2.721 10 0 GFAERN O=C(c1ccccc1Br)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000109643847 655149622 /nfs/dbraw/zinc/14/96/22/655149622.db2.gz RUVQDHPAQYDNPV-GOSISDBHSA-N 0 0 389.293 2.941 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C)CCO2)n1 ZINC000111345068 655169414 /nfs/dbraw/zinc/16/94/14/655169414.db2.gz UIZQUSPRFPRPHL-INIZCTEOSA-N 0 0 383.901 2.551 10 0 GFAERN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)N[C@@H](C)c2cccs2)cc1 ZINC000173421389 655171274 /nfs/dbraw/zinc/17/12/74/655171274.db2.gz DZNSTCSBGRKAKV-AWEZNQCLSA-N 0 0 381.523 2.737 10 0 GFAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ccc(S(N)(=O)=O)s2)o1 ZINC000173436527 655172208 /nfs/dbraw/zinc/17/22/08/655172208.db2.gz SLLNCMMEJIYZCQ-ZDUSSCGKSA-N 0 0 383.495 2.734 10 0 GFAERN COCCN1CCN(C(=O)c2sc(C)c(Br)c2OC)C[C@H]1C ZINC000173549007 655174336 /nfs/dbraw/zinc/17/43/36/655174336.db2.gz JYUBLPPAFNZENF-SNVBAGLBSA-N 0 0 391.331 2.620 10 0 GFAERN Cc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1Cl ZINC000173691564 655176227 /nfs/dbraw/zinc/17/62/27/655176227.db2.gz HREBEECFMFEFGL-GFCCVEGCSA-N 0 0 382.251 2.696 10 0 GFAERN Cc1cnn(C[C@@H]2CN(Cn3nc(-c4cccs4)oc3=S)CCO2)c1 ZINC000112072189 655181834 /nfs/dbraw/zinc/18/18/34/655181834.db2.gz JZRFYYGKZGWYDG-ZDUSSCGKSA-N 0 0 377.495 2.798 10 0 GFAERN Cc1ccc2oc(N3CCN(Cn4cc(Br)cn4)CC3)nc2c1 ZINC000112332532 655188973 /nfs/dbraw/zinc/18/89/73/655188973.db2.gz OGGGXJGDDQYCDZ-UHFFFAOYSA-N 0 0 376.258 2.875 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000112957506 655200285 /nfs/dbraw/zinc/20/02/85/655200285.db2.gz CMFKRWLVVATCAL-RXMQYKEDSA-N 0 0 375.273 2.629 10 0 GFAERN CC[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)CCN1C[C@@H](C)O ZINC000174597495 655204711 /nfs/dbraw/zinc/20/47/11/655204711.db2.gz KVZJUCFRZCXOHJ-ZIAGYGMSSA-N 0 0 379.551 2.692 10 0 GFAERN C[C@H](NC(=O)c1ccc(Br)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000175013678 655212511 /nfs/dbraw/zinc/21/25/11/655212511.db2.gz NQRITLFHSTZPFQ-JTQLQIEISA-N 0 0 383.267 2.739 10 0 GFAERN C[C@@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000175634189 655224560 /nfs/dbraw/zinc/22/45/60/655224560.db2.gz JEIYJWDHEISKHT-PBHICJAKSA-N 0 0 383.945 2.794 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)C1(c3ccc(Br)cc3)CC1)CC2 ZINC000114865807 655230008 /nfs/dbraw/zinc/23/00/08/655230008.db2.gz ULAYQCABTHVANL-CQSZACIVSA-N 0 0 389.297 2.766 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000176024314 655232167 /nfs/dbraw/zinc/23/21/67/655232167.db2.gz PZLGERXRJYPVAL-TZMCWYRMSA-N 0 0 398.301 2.546 10 0 GFAERN C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176453678 655246120 /nfs/dbraw/zinc/24/61/20/655246120.db2.gz VPBNZUZYCWFWMJ-BXUZGUMPSA-N 0 0 378.274 2.806 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)CCOc3cccc(Br)c3)C2)cn1 ZINC000116229281 655246624 /nfs/dbraw/zinc/24/66/24/655246624.db2.gz CDYFLNDSOMDPEZ-ZDUSSCGKSA-N 0 0 378.270 2.968 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3Cl)C2)n1 ZINC000116900039 655256243 /nfs/dbraw/zinc/25/62/43/655256243.db2.gz ZFIMDKURKDNQTM-ZDUSSCGKSA-N 0 0 386.880 2.788 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](CC(N)=O)C1CCOCC1 ZINC000176874482 655258446 /nfs/dbraw/zinc/25/84/46/655258446.db2.gz UFCCEKVHVSAWJA-QMTHXVAHSA-N 0 0 389.279 2.548 10 0 GFAERN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000117258792 655262593 /nfs/dbraw/zinc/26/25/93/655262593.db2.gz GJIXUAPGTFKDCX-UKRRQHHQSA-N 0 0 377.286 2.741 10 0 GFAERN COC(=O)N[C@@H](C(=O)NC[C@@H](C)Oc1ccccc1Br)C(C)C ZINC000177260383 655271234 /nfs/dbraw/zinc/27/12/34/655271234.db2.gz DADQOLRNBYTSLT-BXUZGUMPSA-N 0 0 387.274 2.713 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000177269886 655272095 /nfs/dbraw/zinc/27/20/95/655272095.db2.gz IILAAJNSYODTCI-NWDGAFQWSA-N 0 0 395.253 2.744 10 0 GFAERN COc1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(Br)c1OC ZINC000177276881 655272465 /nfs/dbraw/zinc/27/24/65/655272465.db2.gz QCCWBJXHWBCHOQ-HIFRSBDPSA-N 0 0 399.329 2.619 10 0 GFAERN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177546852 655280680 /nfs/dbraw/zinc/28/06/80/655280680.db2.gz BVEJIQNDXSVIGW-JOYOIKCWSA-N 0 0 378.778 2.965 10 0 GFAERN COc1nc(N2CCC[C@H]2CNC(=O)OC(C)(C)C)ncc1Br ZINC000178807589 655309858 /nfs/dbraw/zinc/30/98/58/655309858.db2.gz IBYCEVYPUMMWGL-JTQLQIEISA-N 0 0 387.278 2.741 10 0 GFAERN O=S(=O)(/C=C/c1ccccc1)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000119675219 655310829 /nfs/dbraw/zinc/31/08/29/655310829.db2.gz OCXRGNFIMZLHNT-JLHYYAGUSA-N 0 0 378.475 2.639 10 0 GFAERN Cc1nc(Br)ccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000179604635 655315063 /nfs/dbraw/zinc/31/50/63/655315063.db2.gz QWKMVCYSONERDJ-SNVBAGLBSA-N 0 0 388.221 2.776 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)N[C@@H](CC)CSC)CC1 ZINC000179973932 655320207 /nfs/dbraw/zinc/32/02/07/655320207.db2.gz YHSKYLKVWHXJDN-ZDUSSCGKSA-N 0 0 387.981 2.605 10 0 GFAERN COc1ccc([C@@H](OC(=O)[C@H]2CNC(=O)C2)C(F)(F)F)cc1Br ZINC000182099083 655342191 /nfs/dbraw/zinc/34/21/91/655342191.db2.gz WBFNEYDWYVLZDK-PRHODGIISA-N 0 0 396.159 2.740 10 0 GFAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)OCc2cncs2)cc1 ZINC000184635681 655358588 /nfs/dbraw/zinc/35/85/88/655358588.db2.gz RVRDCYUWQJECHD-MRXNPFEDSA-N 0 0 382.507 2.888 10 0 GFAERN Cc1cc(COC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C)s1 ZINC000195087234 655418814 /nfs/dbraw/zinc/41/88/14/655418814.db2.gz AVQFHNVXDGCYRC-LLVKDONJSA-N 0 0 378.475 2.535 10 0 GFAERN C[C@@H](OC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@@H]1CCOC1 ZINC000246398360 655429862 /nfs/dbraw/zinc/42/98/62/655429862.db2.gz AEMTYJSDWHJLQA-IVZWLZJFSA-N 0 0 376.272 2.597 10 0 GFAERN COCC[S@@](=O)Cc1cccc(NS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000255517280 655439316 /nfs/dbraw/zinc/43/93/16/655439316.db2.gz XHBJKIUWZFRJLM-MBHJOXKWSA-N 0 0 379.503 2.994 10 0 GFAERN Cc1cnc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1 ZINC000702855784 655521911 /nfs/dbraw/zinc/52/19/11/655521911.db2.gz CTGNPUDDVSNXGM-AAEUAGOBSA-N 0 0 386.290 2.792 10 0 GFAERN C[C@@H](NCc1ncc(Br)cc1Br)c1cn(C)nn1 ZINC000720534995 655524555 /nfs/dbraw/zinc/52/45/55/655524555.db2.gz BHXIDCAMMDPGPF-SSDOTTSWSA-N 0 0 375.068 2.586 10 0 GFAERN C[C@H](NC(=O)c1ccc(Br)cc1Br)c1cn(C)nn1 ZINC000720619374 655524531 /nfs/dbraw/zinc/52/45/31/655524531.db2.gz KAEGUEZHYQPGEJ-ZETCQYMHSA-N 0 0 388.063 2.831 10 0 GFAERN O=S(=O)(/C=C\c1ccc(Br)cc1)NC[C@@H]1CCn2ccnc2C1 ZINC000779882356 656955041 /nfs/dbraw/zinc/95/50/41/656955041.db2.gz WTLHTYNCMHHUNX-LBIZBFCRSA-N 0 0 396.310 2.798 10 0 GFAERN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900929050 663726417 /nfs/dbraw/zinc/72/64/17/663726417.db2.gz CLDSDJBXINBSSM-CCXVJQGPSA-N 0 0 379.547 2.902 10 0 GFAERN COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)nc(C)n3)C2)cc1OC ZINC000011773609 206226126 /nfs/dbraw/zinc/22/61/26/206226126.db2.gz DUMAMNSFLZSVHE-MRXNPFEDSA-N 0 0 383.448 2.846 10 0 GFAERN CNC(=O)c1ccc([C@H]2CCCCN2Cc2cccc(C(=O)N(C)C)c2)n1C ZINC000328624803 206235328 /nfs/dbraw/zinc/23/53/28/206235328.db2.gz COZHWXLQRALJBE-LJQANCHMSA-N 0 0 382.508 2.814 10 0 GFAERN C[C@@H]1OC[C@@H]2O[C@H](O)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000255963833 206285044 /nfs/dbraw/zinc/28/50/44/206285044.db2.gz BALYQVSNDKYQHO-DYRNCQFLSA-N 0 0 386.444 2.636 10 0 GFAERN COc1cccnc1CCCCNc1ncc(Cc2ccc(C)nc2)c(=O)[nH]1 ZINC000008144430 206295246 /nfs/dbraw/zinc/29/52/46/206295246.db2.gz GJCSPRIRQYWXRW-UHFFFAOYSA-N 0 0 379.464 2.903 10 0 in-man GFAERN COc1cccc2c1cc1c(=O)n(CC(=O)NCc3ccccc3C)nc(C)n12 ZINC000006749791 206671052 /nfs/dbraw/zinc/67/10/52/206671052.db2.gz CDZRZLPTJGBBET-UHFFFAOYSA-N 0 0 390.443 2.591 10 0 GFAERN CCOC(=O)c1ccc(CNC(=O)CC[C@@]2(Cc3ccccc3)CCC(=O)N2)o1 ZINC000012278908 206878173 /nfs/dbraw/zinc/87/81/73/206878173.db2.gz FBYKPJUXOHINBR-QFIPXVFZSA-N 0 0 398.459 2.744 10 0 GFAERN CN(CCc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 ZINC000014960394 207034655 /nfs/dbraw/zinc/03/46/55/207034655.db2.gz PUDSONLEXDWKGS-JOCHJYFZSA-N 0 0 393.531 2.511 10 0 GFAERN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857213 207167140 /nfs/dbraw/zinc/16/71/40/207167140.db2.gz LUZDIWKBUUVMDS-WJFTUGDTSA-N 0 0 376.522 2.533 10 0 GFAERN O=C(Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)NCc1cccs1 ZINC000020574353 207205037 /nfs/dbraw/zinc/20/50/37/207205037.db2.gz VCZWIYLKAGUZGX-UHFFFAOYSA-N 0 0 384.392 2.569 10 0 GFAERN Cc1ccc(-c2ncccc2C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000021654547 207234266 /nfs/dbraw/zinc/23/42/66/207234266.db2.gz NHHJDTWBDZVNMQ-UHFFFAOYSA-N 0 0 393.487 2.768 10 0 GFAERN Cc1ccc(-c2nc(CN3CCC(C(=O)Nc4ncccc4O)CC3)no2)cc1 ZINC000021724319 207236364 /nfs/dbraw/zinc/23/63/64/207236364.db2.gz UNTUYKMBHLMZTA-UHFFFAOYSA-N 0 0 393.447 2.996 10 0 GFAERN COC(=O)CCC/C=C\C[C@H]1[C@@H](OC(C)=O)C[C@@H](O[C@@H]2CCCCO2)[C@@H]1CO ZINC000022002516 207245543 /nfs/dbraw/zinc/24/55/43/207245543.db2.gz MKZRZXXYNBNJQQ-FTGQPJKWSA-N 0 0 398.496 2.748 10 0 GFAERN C[C@H]1C(=O)NCCN1Cc1cccc(-c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)c1 ZINC000023431043 207278713 /nfs/dbraw/zinc/27/87/13/207278713.db2.gz RAMQSNGHBLQLKZ-AWEZNQCLSA-N 0 0 392.434 2.563 10 0 GFAERN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1cscn1)c1ccc(F)cc1 ZINC000033138885 207441315 /nfs/dbraw/zinc/44/13/15/207441315.db2.gz HMBOTYVNPNRWPF-GOSISDBHSA-N 0 0 383.448 2.940 10 0 GFAERN Cc1ccccc1CN1CCN(CC(=O)Nc2cc(Cl)ccc2C)C(=O)C1=O ZINC000064888693 207817007 /nfs/dbraw/zinc/81/70/07/207817007.db2.gz AVGXCRDZYYYTNC-UHFFFAOYSA-N 0 0 399.878 2.766 10 0 GFAERN CC(C)(C)OC(=O)NCc1cc2c(c(I)c1)C(=O)NC2 ZINC000089211216 208104700 /nfs/dbraw/zinc/10/47/00/208104700.db2.gz DAQBQOUNUHWPEM-UHFFFAOYSA-N 0 0 388.205 2.559 10 0 GFAERN CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2cccc(Br)n2)C1 ZINC000095083370 208153143 /nfs/dbraw/zinc/15/31/43/208153143.db2.gz ISCYMHVLYHOQGC-SNVBAGLBSA-N 0 0 391.287 2.627 10 0 GFAERN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000095075392 208153458 /nfs/dbraw/zinc/15/34/58/208153458.db2.gz UBWZDTYDWANOAA-YOEHRIQHSA-N 0 0 376.453 2.542 10 0 GFAERN Cc1cc(Cl)nc(S(=O)(=O)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090490 208154365 /nfs/dbraw/zinc/15/43/65/208154365.db2.gz FXUNPQUUTSQKJK-LBPRGKRZSA-N 0 0 389.905 2.859 10 0 GFAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CS(=O)(=O)c1ncc(Cl)cn1 ZINC000095086724 208154530 /nfs/dbraw/zinc/15/45/30/208154530.db2.gz NBOSHLYBCPFCKR-GFCCVEGCSA-N 0 0 375.878 2.693 10 0 GFAERN CCOc1ccc(CC(=O)N2C[C@@H](C(=O)NC)C3(CCCC3)C2)cc1OCC ZINC000096310109 208304262 /nfs/dbraw/zinc/30/42/62/208304262.db2.gz NCUDEIXYRKWIFE-KRWDZBQOSA-N 0 0 388.508 2.791 10 0 GFAERN O=C(NCCc1ccccc1)N1CCN(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096398152 208315282 /nfs/dbraw/zinc/31/52/82/208315282.db2.gz RIGYMNDKPHOZBU-UHFFFAOYSA-N 0 0 376.464 2.546 10 0 GFAERN COc1cc(C(N)=O)ccc1OCc1ccc(I)cc1 ZINC000226360851 208475269 /nfs/dbraw/zinc/47/52/69/208475269.db2.gz KPQUHLRTTCVEBQ-UHFFFAOYSA-N 0 0 383.185 2.978 10 0 GFAERN Cc1nn(CCCNS(=O)(=O)c2ccc(F)cc2)c(C)c1Br ZINC000014247413 208789313 /nfs/dbraw/zinc/78/93/13/208789313.db2.gz ZPDHKTNCMWEMRI-UHFFFAOYSA-N 0 0 390.278 2.770 10 0 GFAERN C[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(Cl)ccc1I ZINC000394986712 563531093 /nfs/dbraw/zinc/53/10/93/563531093.db2.gz AXPBFGBYVMNHEB-PELKAZGASA-N 0 0 379.625 2.930 10 0 GFAERN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000065227126 136160440 /nfs/dbraw/zinc/16/04/40/136160440.db2.gz LIIQZANIEGVPAR-CYBMUJFWSA-N 0 0 377.404 2.609 10 0 GFAERN COc1cccc(C[C@H]2CN(c3ncccc3C(=O)N3CCCC3)CCO2)c1 ZINC000071738722 136165880 /nfs/dbraw/zinc/16/58/80/136165880.db2.gz AGKYDTMDBLLCOW-IBGZPJMESA-N 0 0 381.476 2.774 10 0 GFAERN COc1cccc(C[C@@H]2CN(c3ncccc3C(=O)N3CCCC3)CCO2)c1 ZINC000071738721 136165925 /nfs/dbraw/zinc/16/59/25/136165925.db2.gz AGKYDTMDBLLCOW-LJQANCHMSA-N 0 0 381.476 2.774 10 0 GFAERN CCc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)ncn1 ZINC000077408141 136172049 /nfs/dbraw/zinc/17/20/49/136172049.db2.gz JMBOOTIJQWUAKJ-OAQYLSRUSA-N 0 0 380.496 2.547 10 0 GFAERN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)[C@H](C)C2=O)cc1F ZINC000096294874 136186219 /nfs/dbraw/zinc/18/62/19/136186219.db2.gz VTFMFEJAEGHESE-CYBMUJFWSA-N 0 0 380.416 2.699 10 0 GFAERN Cc1cc(C)c2c(n1)nc(C(=O)NCc1ccncc1)nc2N1CCSCC1 ZINC000096396810 136186925 /nfs/dbraw/zinc/18/69/25/136186925.db2.gz BIZKDQYXOQRUEW-UHFFFAOYSA-N 0 0 394.504 2.520 10 0 GFAERN COc1ccc(/C=C/C(=O)NCc2nccc(N3CCCCC3)n2)cc1OC ZINC000224161275 136206475 /nfs/dbraw/zinc/20/64/75/136206475.db2.gz CYOQCTHZSPBSRO-VQHVLOKHSA-N 0 0 382.464 2.814 10 0 GFAERN Cc1cc(CNC(=O)Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1 ZINC000224229246 136206574 /nfs/dbraw/zinc/20/65/74/136206574.db2.gz OHRFLFKWTRCABI-UHFFFAOYSA-N 0 0 395.385 2.962 10 0 GFAERN CCCCOc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 ZINC000224359831 136206967 /nfs/dbraw/zinc/20/69/67/136206967.db2.gz WPHKFVKIKPVIGS-UHFFFAOYSA-N 0 0 399.495 2.810 10 0 GFAERN C[C@@H]1CCO[C@H]1C(=O)N[C@@H]1CC(C)(C)C[C@](C)(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000241644384 534116067 /nfs/dbraw/zinc/11/60/67/534116067.db2.gz PQHRHACFUFRSPA-NVKOURDFSA-N 0 0 394.556 2.654 10 0 GFAERN O=C([O-])[C@@H]1CCC[N@H+](Cc2nnn(-c3ccc(F)cc3)c2-c2ccncc2)C1 ZINC000057345182 526272499 /nfs/dbraw/zinc/27/24/99/526272499.db2.gz GBLFMHUZBWAWDT-OAHLLOKOSA-N 0 0 381.411 2.765 10 0 GFAERN C[C@H](NC(=O)CSCC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000042161928 551138582 /nfs/dbraw/zinc/13/85/82/551138582.db2.gz ZYHNKHHJRGQAAI-NSHDSACASA-N 0 0 391.320 2.763 10 0 GFAERN C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(F)c(Cl)c1 ZINC000056941955 551178701 /nfs/dbraw/zinc/17/87/01/551178701.db2.gz DRIORFJMZIJQED-QMMMGPOBSA-N 0 0 391.877 2.748 10 0 GFAERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000107075399 551201500 /nfs/dbraw/zinc/20/15/00/551201500.db2.gz DJMSVYSEGNXVLI-ZDUSSCGKSA-N 0 0 383.901 2.910 10 0 GFAERN CN(Cc1cc(Br)ccc1F)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000110346442 551203996 /nfs/dbraw/zinc/20/39/96/551203996.db2.gz CTMSICMQBBFQNW-CQSZACIVSA-N 0 0 395.276 2.976 10 0 GFAERN CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000113588361 551208229 /nfs/dbraw/zinc/20/82/29/551208229.db2.gz JVFAKRGFLSJCMH-WDEREUQCSA-N 0 0 382.404 2.769 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)cs1 ZINC000116351267 551212832 /nfs/dbraw/zinc/21/28/32/551212832.db2.gz WDXDYRKIMFMXIU-UHFFFAOYSA-N 0 0 383.514 2.796 10 0 GFAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000118331330 551214571 /nfs/dbraw/zinc/21/45/71/551214571.db2.gz KVYGVKYKMUMRHX-INIZCTEOSA-N 0 0 381.885 2.844 10 0 GFAERN C[C@H](NC(=O)NCC1CCS(=O)(=O)CC1)c1ccccc1Br ZINC000121227347 551230225 /nfs/dbraw/zinc/23/02/25/551230225.db2.gz CTUYVFCNSIVOHH-NSHDSACASA-N 0 0 389.315 2.634 10 0 GFAERN C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000121705357 551240076 /nfs/dbraw/zinc/24/00/76/551240076.db2.gz QMQQFTJHXBZDFP-NSHDSACASA-N 0 0 399.314 2.558 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2n1CCCC2 ZINC000121764169 551241719 /nfs/dbraw/zinc/24/17/19/551241719.db2.gz UNSMWAQDCJKZQL-SECBINFHSA-N 0 0 375.281 2.961 10 0 GFAERN C[C@H](CNC(=O)NCC(C)(C)c1ccccc1Br)N1CCOCC1 ZINC000123875516 551309055 /nfs/dbraw/zinc/30/90/55/551309055.db2.gz NLSBZIOOQQZRFL-CQSZACIVSA-N 0 0 398.345 2.747 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(F)cc1Cl ZINC000128753248 551351837 /nfs/dbraw/zinc/35/18/37/551351837.db2.gz NJFWOSIMMHQIGA-SNVBAGLBSA-N 0 0 382.844 2.805 10 0 GFAERN Cc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCCC[C@H]2O)cc1Cl ZINC000130580915 551366802 /nfs/dbraw/zinc/36/68/02/551366802.db2.gz UXIACBPYUNQQSB-LSDHHAIUSA-N 0 0 380.901 2.741 10 0 GFAERN C[C@H](NS(=O)(=O)c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000131037975 551371493 /nfs/dbraw/zinc/37/14/93/551371493.db2.gz WFFPXAPONOCOOQ-JTQLQIEISA-N 0 0 391.873 2.922 10 0 GFAERN Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000133437393 551382921 /nfs/dbraw/zinc/38/29/21/551382921.db2.gz JKSUDUHQGCCYAG-OAHLLOKOSA-N 0 0 397.294 2.995 10 0 GFAERN O=C(c1cccc(I)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135730860 551388978 /nfs/dbraw/zinc/38/89/78/551388978.db2.gz OMPRKLMIXLXGAD-OAHLLOKOSA-N 0 0 394.212 2.980 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000151142674 551408038 /nfs/dbraw/zinc/40/80/38/551408038.db2.gz STRDHUJMQUFVGE-SECBINFHSA-N 0 0 385.791 2.933 10 0 GFAERN Cc1nc(CC(C)C)c(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000151157269 551408379 /nfs/dbraw/zinc/40/83/79/551408379.db2.gz HYVBFSLCXDEHIJ-NSHDSACASA-N 0 0 381.523 2.788 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1CCCO1 ZINC000151239255 551409411 /nfs/dbraw/zinc/40/94/11/551409411.db2.gz XVMFAXKFUITFEZ-PELKAZGASA-N 0 0 375.650 2.725 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1[nH]nc(C(C)C)c1Br ZINC000151539311 551416113 /nfs/dbraw/zinc/41/61/13/551416113.db2.gz STIYIRUBVYTOOJ-VIFPVBQESA-N 0 0 381.278 2.714 10 0 GFAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCC(c4cc[nH]n4)CC3)cc(Cl)c2O1 ZINC000153230320 551448993 /nfs/dbraw/zinc/44/89/93/551448993.db2.gz CHYAYZDBPOQANB-NSHDSACASA-N 0 0 381.885 2.955 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(Cl)cc1 ZINC000153944151 551463580 /nfs/dbraw/zinc/46/35/80/551463580.db2.gz WPJPGPADPGHODB-JTQLQIEISA-N 0 0 391.873 2.922 10 0 GFAERN O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000154442059 551475048 /nfs/dbraw/zinc/47/50/48/551475048.db2.gz QZRIAXDCZZCKSK-TVQRCGJNSA-N 0 0 389.677 2.708 10 0 GFAERN C[C@H](C(=O)NC[C@@H]1CCCS1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000155071613 551490812 /nfs/dbraw/zinc/49/08/12/551490812.db2.gz ZTEVQWYGLFSSDL-BDAKNGLRSA-N 0 0 387.288 2.990 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CSCc1cccc(Cl)c1 ZINC000155295210 551496642 /nfs/dbraw/zinc/49/66/42/551496642.db2.gz BVQRWWJDRFPYBA-AWEZNQCLSA-N 0 0 380.901 2.962 10 0 GFAERN CO[C@]1(C)C[C@@H](N(C)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1(C)C ZINC000156165223 551515992 /nfs/dbraw/zinc/51/59/92/551515992.db2.gz AJHPUCNBDUBRGC-MLGOLLRUSA-N 0 0 386.290 2.815 10 0 GFAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3cc(Br)c(=O)n(C)c3)C2)c1 ZINC000156174444 551516496 /nfs/dbraw/zinc/51/64/96/551516496.db2.gz CYJMOGQJOJIGCZ-ZDUSSCGKSA-N 0 0 394.273 2.522 10 0 GFAERN Cc1cccc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCC3)c1Br ZINC000156860020 551529192 /nfs/dbraw/zinc/52/91/92/551529192.db2.gz OYPKOPJXTBGREW-LLVKDONJSA-N 0 0 399.314 2.725 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000157061141 551532605 /nfs/dbraw/zinc/53/26/05/551532605.db2.gz UCKQCBXTOGJYJX-CYBMUJFWSA-N 0 0 399.314 2.725 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000157235822 551535627 /nfs/dbraw/zinc/53/56/27/551535627.db2.gz JTMIRWGGEZWVRQ-RISCZKNCSA-N 0 0 384.274 2.563 10 0 GFAERN CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157664495 551540856 /nfs/dbraw/zinc/54/08/56/551540856.db2.gz NGDZJJUPWMXWRA-CQSZACIVSA-N 0 0 382.482 2.945 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3cc(C)c(Br)cc3C)CCO2)[nH]1 ZINC000157970290 551545732 /nfs/dbraw/zinc/54/57/32/551545732.db2.gz WPNDXUGWXNDUSB-CQSZACIVSA-N 0 0 379.258 2.706 10 0 GFAERN COC[C@@H](NC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1)C1CC1 ZINC000158391479 551551317 /nfs/dbraw/zinc/55/13/17/551551317.db2.gz LHDVLIROSUSMHX-HUUCEWRRSA-N 0 0 399.285 2.778 10 0 GFAERN COc1ccc(Br)c(CC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000158533149 551553251 /nfs/dbraw/zinc/55/32/51/551553251.db2.gz WKHXZRYOINIHOZ-GFCCVEGCSA-N 0 0 378.270 2.750 10 0 GFAERN C[C@H](C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000164088940 551624079 /nfs/dbraw/zinc/62/40/79/551624079.db2.gz HNPNVXZQESNQNZ-ZQIUZPCESA-N 0 0 381.314 2.732 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1CCCO1 ZINC000164261302 551624770 /nfs/dbraw/zinc/62/47/70/551624770.db2.gz LDFIJSJRZZIFRZ-SKDRFNHKSA-N 0 0 376.400 2.805 10 0 GFAERN CCOc1cc(Br)c(NC(=O)C(=O)N[C@H]2C[C@@H]2C)cc1OCC ZINC000170821568 551640275 /nfs/dbraw/zinc/64/02/75/551640275.db2.gz RYQQTBOSUGTKPL-ONGXEEELSA-N 0 0 385.258 2.710 10 0 GFAERN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H]1C[C@@H]1C ZINC000171051740 551645283 /nfs/dbraw/zinc/64/52/83/551645283.db2.gz VNYKODCGVVCOSB-CQDKDKBSSA-N 0 0 382.302 2.942 10 0 GFAERN Cn1nc(Br)c2c1ncnc2NCC[C@H]1c2ccccc2NC1=O ZINC000171131113 551647953 /nfs/dbraw/zinc/64/79/53/551647953.db2.gz KYOBAAZSQBXPKP-JTQLQIEISA-N 0 0 387.241 2.664 10 0 GFAERN C[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCS1 ZINC000171429874 551655782 /nfs/dbraw/zinc/65/57/82/551655782.db2.gz QKVVSYAWKXKPBT-LLVKDONJSA-N 0 0 386.315 2.925 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000171468083 551656281 /nfs/dbraw/zinc/65/62/81/551656281.db2.gz MYTKBYQCXIPEID-GFCCVEGCSA-N 0 0 392.253 2.660 10 0 GFAERN COC(=O)C[C@H](NC(=O)N[C@H]1CCCOC1)c1cccc(Br)c1 ZINC000171601017 551659139 /nfs/dbraw/zinc/65/91/39/551659139.db2.gz RDCSBTXDPDEXLY-KBPBESRZSA-N 0 0 385.258 2.532 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000171636157 551659606 /nfs/dbraw/zinc/65/96/06/551659606.db2.gz VFEHWZZBUIIYCD-JTQLQIEISA-N 0 0 390.296 2.568 10 0 GFAERN CN(Cc1c(F)cccc1Cl)C(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000171666875 551660299 /nfs/dbraw/zinc/66/02/99/551660299.db2.gz HXZHHUMSDGVFAH-OAHLLOKOSA-N 0 0 383.876 2.968 10 0 GFAERN O=C(CN1CCO[C@H](c2nccs2)C1)Nc1ccc(Br)cc1 ZINC000171667959 551660780 /nfs/dbraw/zinc/66/07/80/551660780.db2.gz PXTIIWWRNAITGM-ZDUSSCGKSA-N 0 0 382.283 2.918 10 0 GFAERN Cc1ccc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)c(Br)c1 ZINC000171703730 551661469 /nfs/dbraw/zinc/66/14/69/551661469.db2.gz FMQROPAHIKKYIG-CYBMUJFWSA-N 0 0 378.274 2.625 10 0 GFAERN Cc1[nH]c(=S)sc1CC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171814159 551664565 /nfs/dbraw/zinc/66/45/65/551664565.db2.gz FEZUWLGNALHVED-OAHLLOKOSA-N 0 0 377.535 2.534 10 0 GFAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000173049367 551693483 /nfs/dbraw/zinc/69/34/83/551693483.db2.gz DGSGENSJKGVHJQ-STQMWFEESA-N 0 0 378.270 2.966 10 0 GFAERN C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000173083824 551694883 /nfs/dbraw/zinc/69/48/83/551694883.db2.gz DQGZAABXILOQAG-MEBBXXQBSA-N 0 0 382.532 2.603 10 0 GFAERN C[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000173083837 551695030 /nfs/dbraw/zinc/69/50/30/551695030.db2.gz DTVXSDUXIFRRBB-PXAZEXFGSA-N 0 0 376.503 2.542 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H]3SCCc4sccc43)CCO2)n1 ZINC000173302160 552082130 /nfs/dbraw/zinc/08/21/30/552082130.db2.gz VHFXSSKATXQBIT-PBHICJAKSA-N 0 0 377.535 2.819 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1sc(C)c(Br)c1OC)CC2 ZINC000173479917 552086646 /nfs/dbraw/zinc/08/66/46/552086646.db2.gz RDGLWPGDGNNWRO-VIFPVBQESA-N 0 0 399.314 2.726 10 0 GFAERN O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000173607935 552088896 /nfs/dbraw/zinc/08/88/96/552088896.db2.gz YOWDOQOZFYAIHO-NSHDSACASA-N 0 0 392.714 2.992 10 0 GFAERN C[C@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000173845024 552093767 /nfs/dbraw/zinc/09/37/67/552093767.db2.gz VBYQILYORVUMSW-YOEHRIQHSA-N 0 0 395.341 2.906 10 0 GFAERN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000173856833 552094682 /nfs/dbraw/zinc/09/46/82/552094682.db2.gz KIVMNEAKJCGIPG-ZIAGYGMSSA-N 0 0 393.285 2.747 10 0 GFAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173963759 552095729 /nfs/dbraw/zinc/09/57/29/552095729.db2.gz IMTANQZXNXKLEY-LLVKDONJSA-N 0 0 379.873 2.607 10 0 GFAERN Cc1nc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)ccc1Br ZINC000174094714 552098332 /nfs/dbraw/zinc/09/83/32/552098332.db2.gz ZHHWMJZABJJHSA-JTQLQIEISA-N 0 0 388.221 2.776 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)NCCc3ccc(Cl)s3)CC2)no1 ZINC000174086166 552098500 /nfs/dbraw/zinc/09/85/00/552098500.db2.gz VLKLKBOSFORQQT-UHFFFAOYSA-N 0 0 383.905 2.553 10 0 GFAERN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)Cc1cccs1 ZINC000174541812 552106230 /nfs/dbraw/zinc/10/62/30/552106230.db2.gz QARNPKCQAZTMOY-OLZOCXBDSA-N 0 0 381.523 2.635 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCS1 ZINC000174838191 552111360 /nfs/dbraw/zinc/11/13/60/552111360.db2.gz KHQWUNIFOWAVES-ZETCQYMHSA-N 0 0 379.226 2.630 10 0 GFAERN O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174893017 552112070 /nfs/dbraw/zinc/11/20/70/552112070.db2.gz HWOUTAAOHFXFJA-GDBMZVCRSA-N 0 0 391.265 2.866 10 0 GFAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000174906307 552112421 /nfs/dbraw/zinc/11/24/21/552112421.db2.gz UKPVJHIXSINILM-UONOGXRCSA-N 0 0 387.571 2.979 10 0 GFAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000174906277 552112643 /nfs/dbraw/zinc/11/26/43/552112643.db2.gz UKPVJHIXSINILM-KBPBESRZSA-N 0 0 387.571 2.979 10 0 GFAERN Cc1ccc(S(=O)(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000175212174 552117469 /nfs/dbraw/zinc/11/74/69/552117469.db2.gz CSMKLTPMXPFUEW-QGZVFWFLSA-N 0 0 380.535 2.751 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000175868649 552130816 /nfs/dbraw/zinc/13/08/16/552130816.db2.gz MGRAPODXEAWKBS-UONOGXRCSA-N 0 0 384.267 2.761 10 0 GFAERN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@H]1CN(C)CCO1 ZINC000175950979 552132590 /nfs/dbraw/zinc/13/25/90/552132590.db2.gz WAPIRWALFBIPLR-JSGCOSHPSA-N 0 0 379.913 2.816 10 0 GFAERN COC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000176801597 552146085 /nfs/dbraw/zinc/14/60/85/552146085.db2.gz VRIBARVCPHWTPO-JTQLQIEISA-N 0 0 380.853 2.933 10 0 GFAERN COC(=O)C[C@H](NC(=O)CC[C@H]1CCOC1)c1cccc(Br)c1 ZINC000176870649 552147720 /nfs/dbraw/zinc/14/77/20/552147720.db2.gz NFEJEFNTTNHPGD-WFASDCNBSA-N 0 0 384.270 2.986 10 0 GFAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCS[C@@H](C)C1 ZINC000177004387 552149570 /nfs/dbraw/zinc/14/95/70/552149570.db2.gz KULQTRGYQWRREL-JTQLQIEISA-N 0 0 387.299 2.669 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000177185668 552150999 /nfs/dbraw/zinc/15/09/99/552150999.db2.gz XABBJJVANOHESM-CYBMUJFWSA-N 0 0 392.253 2.988 10 0 GFAERN Cc1c(Br)cccc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177824471 552159503 /nfs/dbraw/zinc/15/95/03/552159503.db2.gz QHERHKDUGOZTAT-MLGOLLRUSA-N 0 0 382.302 2.942 10 0 GFAERN C[C@@H](N1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000178268108 552167786 /nfs/dbraw/zinc/16/77/86/552167786.db2.gz PJSQCPNQXYVGAC-CJNGLKHVSA-N 0 0 380.838 2.786 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000179255311 552188626 /nfs/dbraw/zinc/18/86/26/552188626.db2.gz OYDHTLIHFZHNQC-ZWNOBZJWSA-N 0 0 379.254 2.572 10 0 GFAERN Cc1ccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c(Br)n1 ZINC000179407285 552192240 /nfs/dbraw/zinc/19/22/40/552192240.db2.gz LJNYMHKBWPAEMK-LLVKDONJSA-N 0 0 378.274 2.612 10 0 GFAERN Cn1cc(Br)cc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1=O ZINC000180700289 552233381 /nfs/dbraw/zinc/23/33/81/552233381.db2.gz QPXJLAJHAZLHRO-ZDUSSCGKSA-N 0 0 380.246 2.630 10 0 GFAERN Cc1cnn(CCNS(=O)(=O)Cc2ccc(Cl)cc2Br)c1 ZINC000180760574 552235169 /nfs/dbraw/zinc/23/51/69/552235169.db2.gz QVOONDLPDBJLLZ-UHFFFAOYSA-N 0 0 392.706 2.727 10 0 GFAERN C[C@@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000181016074 552243100 /nfs/dbraw/zinc/24/31/00/552243100.db2.gz JIEZMUQHWIBJIT-MRVPVSSYSA-N 0 0 388.230 2.646 10 0 GFAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1nc3ncc(Br)cn3n1)[C@@H](C)C2 ZINC000181242329 552251174 /nfs/dbraw/zinc/25/11/74/552251174.db2.gz BWONGGJGFWNVHT-HZMBPMFUSA-N 0 0 386.253 2.859 10 0 GFAERN COC(=O)C[C@H](NC(=O)NCC1(OC)CCC1)c1cccc(Br)c1 ZINC000181510538 552259086 /nfs/dbraw/zinc/25/90/86/552259086.db2.gz WEIZQLGYGHDGGB-AWEZNQCLSA-N 0 0 399.285 2.922 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000181627373 552263031 /nfs/dbraw/zinc/26/30/31/552263031.db2.gz SRWTYGPUXXDOFI-DYVFJYSZSA-N 0 0 396.329 2.535 10 0 GFAERN Cc1cc(S(=O)(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c(Cl)cc1F ZINC000181727152 552266192 /nfs/dbraw/zinc/26/61/92/552266192.db2.gz LQUQIUHMKPGDBY-LLVKDONJSA-N 0 0 386.880 2.796 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)Cc1ccc(Br)o1)CC2 ZINC000181742871 552266945 /nfs/dbraw/zinc/26/69/45/552266945.db2.gz CYKVFFFDERMCIA-NSHDSACASA-N 0 0 396.289 2.913 10 0 GFAERN COc1ccc(Br)cc1S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000183521010 552311801 /nfs/dbraw/zinc/31/18/01/552311801.db2.gz KCOOBJNTKWVNPI-UHFFFAOYSA-N 0 0 388.287 2.684 10 0 GFAERN COc1cc(C)c(Br)cc1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000184537043 552338245 /nfs/dbraw/zinc/33/82/45/552338245.db2.gz IEEIXMHFBNGFMN-ZDUSSCGKSA-N 0 0 398.301 2.705 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000184820801 552345445 /nfs/dbraw/zinc/34/54/45/552345445.db2.gz IYQZMLQKXQZVDV-BBRMVZONSA-N 0 0 384.318 2.608 10 0 GFAERN CCN1CC[C@@H](NC(=O)NCC(F)(F)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185118315 552354787 /nfs/dbraw/zinc/35/47/87/552354787.db2.gz LZTBMPMYDYNHJV-KGLIPLIRSA-N 0 0 379.810 2.541 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2cnc(Cl)c(Cl)c2)C12CCOCC2 ZINC000185154680 552355627 /nfs/dbraw/zinc/35/56/27/552355627.db2.gz SKIBFBDNKOZBPN-STQMWFEESA-N 0 0 395.308 2.641 10 0 GFAERN COCC(=O)NC1CN(C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)C1 ZINC000185302199 552360526 /nfs/dbraw/zinc/36/05/26/552360526.db2.gz KFNBEYNTAQMMFJ-UHFFFAOYSA-N 0 0 378.881 2.964 10 0 GFAERN COC(=O)[C@H](NC(=O)c1cc(Br)c(C)nc1OC)c1ccccc1 ZINC000186347781 552385532 /nfs/dbraw/zinc/38/55/32/552385532.db2.gz SUZQJUCZVGBAMP-CQSZACIVSA-N 0 0 393.237 2.805 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC000186617886 552392436 /nfs/dbraw/zinc/39/24/36/552392436.db2.gz OSHDNSCELKRCLA-VIFPVBQESA-N 0 0 376.722 2.659 10 0 GFAERN Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)cc1Br ZINC000186654354 552393747 /nfs/dbraw/zinc/39/37/47/552393747.db2.gz RTUMJXNWWXIPEG-CQSZACIVSA-N 0 0 383.286 2.769 10 0 GFAERN CCc1nnc([C@H]2CN(Cc3cccc(Br)c3OC)CCO2)[nH]1 ZINC000186764083 552397288 /nfs/dbraw/zinc/39/72/88/552397288.db2.gz BZJNVXUTGZMPBB-CYBMUJFWSA-N 0 0 381.274 2.712 10 0 GFAERN O=C(Cc1ccc(F)cc1Br)N1CCC[C@@H](Cn2cncn2)C1 ZINC000188169803 552437742 /nfs/dbraw/zinc/43/77/42/552437742.db2.gz UZHFIGPJLORTCW-GFCCVEGCSA-N 0 0 381.249 2.661 10 0 GFAERN COc1ccc(CCC(=O)N2CC(NC(=O)C3CCC3)C2)cc1Br ZINC000188516355 552447079 /nfs/dbraw/zinc/44/70/79/552447079.db2.gz DOOKZKIDWVUOMP-UHFFFAOYSA-N 0 0 395.297 2.517 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2cccc(Br)n2)C1 ZINC000188581780 552449045 /nfs/dbraw/zinc/44/90/45/552449045.db2.gz RAGIOSHCARIDJG-LLVKDONJSA-N 0 0 379.262 2.867 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)NCc3ccc(Br)cc3)CCO2)cn1 ZINC000188706275 552452893 /nfs/dbraw/zinc/45/28/93/552452893.db2.gz RWYZPJRHIRKZQF-MRXNPFEDSA-N 0 0 393.285 2.949 10 0 GFAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000188753511 552454767 /nfs/dbraw/zinc/45/47/67/552454767.db2.gz GMKNRQIJTZMSJS-BRWVUGGUSA-N 0 0 378.881 2.589 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000189185503 552465436 /nfs/dbraw/zinc/46/54/36/552465436.db2.gz IFHCYFGDGHFPKC-MFHOCJEASA-N 0 0 383.857 2.794 10 0 GFAERN O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@@H]1COc2ccccc21 ZINC000190809419 552509623 /nfs/dbraw/zinc/50/96/23/552509623.db2.gz SYZMPYVQZLBTIS-CYBMUJFWSA-N 0 0 397.175 2.916 10 0 GFAERN O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190833690 552510333 /nfs/dbraw/zinc/51/03/33/552510333.db2.gz NLFONIYETSPCNX-LLVKDONJSA-N 0 0 385.226 2.959 10 0 GFAERN CC(=O)NC1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC000191480543 552529591 /nfs/dbraw/zinc/52/95/91/552529591.db2.gz KWNHDTISFHPPIP-UHFFFAOYSA-N 0 0 390.237 2.597 10 0 GFAERN C[C@H]1OCCC[C@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000191567187 552531892 /nfs/dbraw/zinc/53/18/92/552531892.db2.gz XVQPKYDHNYNPRI-UKRRQHHQSA-N 0 0 397.313 2.729 10 0 GFAERN Cc1cnn(CCNC(=O)c2scc(C)c2I)c1 ZINC000191696381 552535247 /nfs/dbraw/zinc/53/52/47/552535247.db2.gz YDBABEDRWXXHSK-UHFFFAOYSA-N 0 0 375.235 2.596 10 0 GFAERN COC(=O)c1cccc(NC(=O)NC[C@H]2CCCC[C@H]2O)c1Br ZINC000192423848 552563097 /nfs/dbraw/zinc/56/30/97/552563097.db2.gz QCXYUWOXTNUDCC-ZWNOBZJWSA-N 0 0 385.258 2.908 10 0 GFAERN O=C(Nc1cc2c(cc1Br)CCC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000192463798 552564693 /nfs/dbraw/zinc/56/46/93/552564693.db2.gz MYAOHQBNGZWKHG-OAHLLOKOSA-N 0 0 394.313 2.876 10 0 GFAERN CC(C)c1csc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000193319875 552989943 /nfs/dbraw/zinc/98/99/43/552989943.db2.gz JBBFAMFSDMQESJ-STQMWFEESA-N 0 0 379.507 2.501 10 0 GFAERN Cn1c(C[S@](=O)Cc2nc(-c3ccc(Cl)cc3)no2)nnc1C1CC1 ZINC000194157626 553013568 /nfs/dbraw/zinc/01/35/68/553013568.db2.gz OXFDRRQJIGRGHM-VWLOTQADSA-N 0 0 377.857 2.845 10 0 GFAERN Cc1csc([C@@H]2CN(C(=O)NCCOc3ncccc3Cl)CCO2)n1 ZINC000194323847 553017510 /nfs/dbraw/zinc/01/75/10/553017510.db2.gz MDHYJQLDVQJVFY-ZDUSSCGKSA-N 0 0 382.873 2.662 10 0 GFAERN CCc1nnc(CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)n1C ZINC000194685244 553027046 /nfs/dbraw/zinc/02/70/46/553027046.db2.gz YZRNNHDRRRTRMV-MRXNPFEDSA-N 0 0 382.251 2.652 10 0 GFAERN Cc1cc(Cc2cnc(NC(=O)[C@H]3CNC(=O)C3)s2)ccc1Br ZINC000194805819 553030451 /nfs/dbraw/zinc/03/04/51/553030451.db2.gz OJJXTKAGLSFDKB-LLVKDONJSA-N 0 0 394.294 2.879 10 0 GFAERN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000245739722 553096085 /nfs/dbraw/zinc/09/60/85/553096085.db2.gz RIAVMOYBBYHKHY-RDOZXCAGSA-N 0 0 377.243 2.585 10 0 GFAERN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C[C@@H](O)COC(C)(C)C ZINC000245902559 553099294 /nfs/dbraw/zinc/09/92/94/553099294.db2.gz LJLKXEUCKFMQKD-HUUCEWRRSA-N 0 0 388.302 2.771 10 0 GFAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000246184745 553103714 /nfs/dbraw/zinc/10/37/14/553103714.db2.gz LIYFFXRBLZZGLC-OTYXRUKQSA-N 0 0 384.267 2.820 10 0 GFAERN O=S(=O)(c1cc(F)ccc1Br)N1CCO[C@H]2CCCC[C@H]21 ZINC000246281515 553105897 /nfs/dbraw/zinc/10/58/97/553105897.db2.gz NRBKERBIZHWILH-OLZOCXBDSA-N 0 0 378.263 2.920 10 0 GFAERN Cc1noc(Cl)c1CC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246960988 553116311 /nfs/dbraw/zinc/11/63/11/553116311.db2.gz PPISRMJSQKJYPH-SMDDNHRTSA-N 0 0 383.901 2.819 10 0 GFAERN O[C@@H](COc1cccc(Br)c1)CN1CCO[C@@H](c2ccco2)C1 ZINC000247019269 553117358 /nfs/dbraw/zinc/11/73/58/553117358.db2.gz SIVVLANDJKNTMJ-RHSMWYFYSA-N 0 0 382.254 2.855 10 0 GFAERN COCCN1CCN(C(=O)N[C@H](C)c2cccc(Br)c2)C[C@H]1C ZINC000247215805 553120106 /nfs/dbraw/zinc/12/01/06/553120106.db2.gz VCLGPWCYZRQGBL-ZIAGYGMSSA-N 0 0 384.318 2.872 10 0 GFAERN O=S(=O)(c1cc(F)c(F)cc1F)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249468380 553143428 /nfs/dbraw/zinc/14/34/28/553143428.db2.gz QYURJTYTQQJKDV-QWRGUYRKSA-N 0 0 377.409 2.562 10 0 GFAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249702654 553145715 /nfs/dbraw/zinc/14/57/15/553145715.db2.gz JDLSIZGPRIJXRM-HZPDHXFCSA-N 0 0 376.881 2.799 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000262469684 553171389 /nfs/dbraw/zinc/17/13/89/553171389.db2.gz NPNMEPQILJBLCM-UHFFFAOYSA-N 0 0 395.308 2.518 10 0 GFAERN CN(c1nn2cc(C(C)(C)C)nc2s1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000301233890 563397057 /nfs/dbraw/zinc/39/70/57/563397057.db2.gz KPKJHHSJYQUYJA-VIFPVBQESA-N 0 0 375.420 2.688 10 0 GFAERN O=S(=O)(NC1CC1)c1ccc(CNc2ccc(Br)cn2)cc1 ZINC000301391232 563402306 /nfs/dbraw/zinc/40/23/06/563402306.db2.gz ZOLOPLQVFKMQQP-UHFFFAOYSA-N 0 0 382.283 2.897 10 0 GFAERN C[C@@H](Nc1cnn(C)c(=O)c1Br)c1cnn(Cc2ccccc2)c1 ZINC000301819055 563413240 /nfs/dbraw/zinc/41/32/40/563413240.db2.gz FVDZJXLURSADLF-GFCCVEGCSA-N 0 0 388.269 2.961 10 0 GFAERN Cn1c2cc(Cl)c(NS(=O)(=O)c3ccc4c(c3)CCC4)cc2n(C)c1=O ZINC000064591953 570490046 /nfs/dbraw/zinc/49/00/46/570490046.db2.gz JPZMUHCXFYUMTR-UHFFFAOYSA-N 0 0 391.880 2.820 10 0 GFAERN COc1cccc(NS(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)c1 ZINC000006867718 570655644 /nfs/dbraw/zinc/65/56/44/570655644.db2.gz CVSKNKAWMWWBIX-LLVKDONJSA-N 0 0 390.486 2.879 10 0 GFAERN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)NCCC(C)C)nc2C ZINC000006944061 570715803 /nfs/dbraw/zinc/71/58/03/570715803.db2.gz KRXHSLQQHAFLFQ-MRXNPFEDSA-N 0 0 381.480 2.922 10 0 GFAERN COC1(c2nc(-c3cnccn3)no2)CCN(Cc2ncc(C(C)(C)C)o2)CC1 ZINC000583615979 570801260 /nfs/dbraw/zinc/80/12/60/570801260.db2.gz ZDNBXNBCNYSVKH-UHFFFAOYSA-N 0 0 398.467 2.950 10 0 GFAERN CC1(C)C[C@@]2(C[C@@H]2C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c2ccccc2O1 ZINC000583621486 570801869 /nfs/dbraw/zinc/80/18/69/570801869.db2.gz RUAXUMYDUOCBKK-IMWIBFENSA-N 0 0 390.483 2.944 10 0 GFAERN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)N3CCN(CC)CC3)C2)s1 ZINC000033078316 570805037 /nfs/dbraw/zinc/80/50/37/570805037.db2.gz UNNZRRZKIKYWEB-HNNXBMFYSA-N 0 0 387.553 2.634 10 0 GFAERN CCOC(=O)CC1=CC(=O)N(CC(=O)N[C@H](C)CC)c2cc(C)c(C)cc2N1 ZINC000035480638 570809302 /nfs/dbraw/zinc/80/93/02/570809302.db2.gz SXRDBFULLDQKGK-OAHLLOKOSA-N 0 0 387.480 2.814 10 0 GFAERN COC(=O)c1ccc(CN2CCN(c3cc(OC)ccc3OC)C(=O)[C@H]2C)cc1 ZINC000037285244 570870150 /nfs/dbraw/zinc/87/01/50/570870150.db2.gz HLRVJTRNRYHCFD-OAHLLOKOSA-N 0 0 398.459 2.728 10 0 GFAERN COc1cc(OC)cc(C(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)c2cccs2)c1 ZINC000097087822 570891007 /nfs/dbraw/zinc/89/10/07/570891007.db2.gz JDGBALUAEOCZOA-ZQIUZPCESA-N 0 0 386.473 2.798 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)[C@H]1CCO[C@H]1C)CC2 ZINC000547697768 570904161 /nfs/dbraw/zinc/90/41/61/570904161.db2.gz USQSPJJVXMYVOU-JCGIZDLHSA-N 0 0 376.522 2.903 10 0 GFAERN C[C@@H](c1nnnn1-c1ccccc1)N1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000084668035 571030278 /nfs/dbraw/zinc/03/02/78/571030278.db2.gz RHBIQXLYXIKMND-INIZCTEOSA-N 0 0 388.479 2.812 10 0 GFAERN C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000016108658 654514781 /nfs/dbraw/zinc/51/47/81/654514781.db2.gz QCFXUZTWBMLNKM-JTQLQIEISA-N 0 0 383.267 2.739 10 0 GFAERN C[C@H](N[C@@H](C)c1ccccc1Br)C(=O)NC(=O)NCC(F)(F)F ZINC000025240152 654547513 /nfs/dbraw/zinc/54/75/13/654547513.db2.gz YYLGFNTWUPJPBT-IUCAKERBSA-N 0 0 396.207 2.876 10 0 GFAERN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000027852273 654566068 /nfs/dbraw/zinc/56/60/68/654566068.db2.gz YYXPNTABYSKTMF-KCXAZCMYSA-N 0 0 384.929 2.875 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000027915157 654566645 /nfs/dbraw/zinc/56/66/45/654566645.db2.gz WXIBBQOHKYXBRT-LRDDRELGSA-N 0 0 388.917 2.668 10 0 GFAERN O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000039981465 654619513 /nfs/dbraw/zinc/61/95/13/654619513.db2.gz GMGJEHQVTRQHAT-UHFFFAOYSA-N 0 0 378.881 2.923 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1)c1cccs1 ZINC000048881557 654713404 /nfs/dbraw/zinc/71/34/04/654713404.db2.gz LQPXTJOAKZUUAQ-SNVBAGLBSA-N 0 0 379.869 2.919 10 0 GFAERN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(C)nn(C)c2Cl)C12CCCC2 ZINC000122500919 654738519 /nfs/dbraw/zinc/73/85/19/654738519.db2.gz ZUZYBAMMOQCSBA-QWHCGFSZSA-N 0 0 375.922 2.740 10 0 GFAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@H](CCO)C1 ZINC000122795779 654743558 /nfs/dbraw/zinc/74/35/58/654743558.db2.gz HABNCULEHKTEGL-SECBINFHSA-N 0 0 398.706 2.504 10 0 GFAERN CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cs1 ZINC000125345865 654791717 /nfs/dbraw/zinc/79/17/17/654791717.db2.gz MXRRLXNDSLJMDP-CVEARBPZSA-N 0 0 379.503 2.880 10 0 GFAERN O=S(=O)(N[C@@H]1COc2ccccc21)c1cc(Br)cnc1Cl ZINC000058506958 654818994 /nfs/dbraw/zinc/81/89/94/654818994.db2.gz HOFLZCJYTFWIIY-SNVBAGLBSA-N 0 0 389.658 2.910 10 0 GFAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000127713547 654833763 /nfs/dbraw/zinc/83/37/63/654833763.db2.gz FQJCMTYTQBYEEI-HNNXBMFYSA-N 0 0 382.844 2.934 10 0 GFAERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000128425985 654846738 /nfs/dbraw/zinc/84/67/38/654846738.db2.gz XOXMJDGNLDGRDD-CYBMUJFWSA-N 0 0 384.864 2.559 10 0 GFAERN O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc(F)cc1Br ZINC000128591917 654848481 /nfs/dbraw/zinc/84/84/81/654848481.db2.gz GSIQJCRNYLMAMG-UHFFFAOYSA-N 0 0 378.153 2.790 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)CSCc3cscn3)CC2)cs1 ZINC000131433839 654906865 /nfs/dbraw/zinc/90/68/65/654906865.db2.gz CYFGVGLVZWUYED-UHFFFAOYSA-N 0 0 382.580 2.876 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3cc(Br)ccc3F)CCO2)c1 ZINC000132466654 654938450 /nfs/dbraw/zinc/93/84/50/654938450.db2.gz SOGKOHXKPPXPRM-HNNXBMFYSA-N 0 0 396.260 2.563 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000132903904 654948752 /nfs/dbraw/zinc/94/87/52/654948752.db2.gz ZSXZIGSGQDAOBZ-ABAIWWIYSA-N 0 0 387.705 2.895 10 0 GFAERN O=C(CCc1nc(-c2ncccn2)no1)Oc1ccc(F)cc1Br ZINC000068095771 654954084 /nfs/dbraw/zinc/95/40/84/654954084.db2.gz IHSHYOHATKFJLI-UHFFFAOYSA-N 0 0 393.172 2.966 10 0 GFAERN COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000133233577 654957536 /nfs/dbraw/zinc/95/75/36/654957536.db2.gz HPAOIOKGNZMPOQ-ZDUSSCGKSA-N 0 0 384.454 2.985 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1ccc(Br)cc1)CC2 ZINC000133677080 654970316 /nfs/dbraw/zinc/97/03/16/654970316.db2.gz YNPDPHFDGQNMCH-CQSZACIVSA-N 0 0 377.286 2.838 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(c2cc(Br)cc(F)c2C(N)=O)C1 ZINC000092829566 655015719 /nfs/dbraw/zinc/01/57/19/655015719.db2.gz ZDIUTEFXAZQJCS-LLVKDONJSA-N 0 0 386.265 2.572 10 0 GFAERN C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000096658566 655031973 /nfs/dbraw/zinc/03/19/73/655031973.db2.gz CURLVDKAXXWHNE-WDEREUQCSA-N 0 0 379.345 2.758 10 0 GFAERN O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CC2(Cl)Cl)C1)[C@@H]1CC1(Cl)Cl ZINC000136494345 655032171 /nfs/dbraw/zinc/03/21/71/655032171.db2.gz PNVZZWPBFONVDR-LPEHRKFASA-N 0 0 388.122 2.729 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000137679156 655041322 /nfs/dbraw/zinc/04/13/22/655041322.db2.gz DYVKQMXCRXQPPV-AWEZNQCLSA-N 0 0 389.721 2.560 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000137679252 655041332 /nfs/dbraw/zinc/04/13/32/655041332.db2.gz DYVKQMXCRXQPPV-CQSZACIVSA-N 0 0 389.721 2.560 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@H](C)C(C)C)s1 ZINC000103850412 655076456 /nfs/dbraw/zinc/07/64/56/655076456.db2.gz FOMLSYKWPJJDIO-CYBMUJFWSA-N 0 0 375.560 2.665 10 0 GFAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C[C@H]1C ZINC000106108118 655103107 /nfs/dbraw/zinc/10/31/07/655103107.db2.gz WJPGPMYMTWYMAN-CABCVRRESA-N 0 0 398.345 2.737 10 0 GFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)Nc1ccc(Br)cn1 ZINC000106208153 655104888 /nfs/dbraw/zinc/10/48/88/655104888.db2.gz YDWDVQLMRCSUKE-AWEZNQCLSA-N 0 0 392.301 2.970 10 0 GFAERN CNC(=O)COc1cccc(CC(=O)Oc2ccc(F)cc2Br)c1 ZINC000159760639 655116846 /nfs/dbraw/zinc/11/68/46/655116846.db2.gz MSLRVDPTANFFCW-UHFFFAOYSA-N 0 0 396.212 2.861 10 0 GFAERN CCN(CC)c1nc2sc(C(=O)NC[C@H](C)N3CCOCC3)cc2s1 ZINC000108833545 655138557 /nfs/dbraw/zinc/13/85/57/655138557.db2.gz PUWQFJCTGDVIJL-LBPRGKRZSA-N 0 0 382.555 2.655 10 0 GFAERN COC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000108997074 655140270 /nfs/dbraw/zinc/14/02/70/655140270.db2.gz ZORGMWGBTUZFLH-ZIAGYGMSSA-N 0 0 385.291 2.883 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(Cn3ncn(CC(F)(F)F)c3=S)C2)no1 ZINC000171357929 655151115 /nfs/dbraw/zinc/15/11/15/655151115.db2.gz HUAHZVOXUWBSDL-NSHDSACASA-N 0 0 376.408 2.580 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2)C1 ZINC000109856914 655153502 /nfs/dbraw/zinc/15/35/02/655153502.db2.gz HEFBLZVQDBFSFM-CYBMUJFWSA-N 0 0 393.285 2.846 10 0 GFAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nccs3)C2)cc1 ZINC000110878729 655160934 /nfs/dbraw/zinc/16/09/34/655160934.db2.gz NPTLKCOABBBXRV-HNNXBMFYSA-N 0 0 380.491 2.539 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(Br)s3)CCO2)n1 ZINC000110906789 655161641 /nfs/dbraw/zinc/16/16/41/655161641.db2.gz PALWYLJLSQMRRZ-GFCCVEGCSA-N 0 0 384.299 2.865 10 0 GFAERN Cc1cc(N2CCC[C@@H](NC(=O)/C=C/c3ccc(Cl)s3)C2=O)n(C)n1 ZINC000173066767 655162397 /nfs/dbraw/zinc/16/23/97/655162397.db2.gz MDABQVJTSBIZQW-STMXVASLSA-N 0 0 378.885 2.768 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccc(C)cc3Cl)CCO2)n1 ZINC000111345155 655169350 /nfs/dbraw/zinc/16/93/50/655169350.db2.gz NYOWADKBMGBGCY-OAHLLOKOSA-N 0 0 383.901 2.551 10 0 GFAERN O=C(NCCSc1ccc(Cl)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111805375 655177415 /nfs/dbraw/zinc/17/74/15/655177415.db2.gz RQYUDQJPAIDHBQ-OAHLLOKOSA-N 0 0 380.901 2.739 10 0 GFAERN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H]1Cn1ccnc1 ZINC000173730895 655178074 /nfs/dbraw/zinc/17/80/74/655178074.db2.gz MURAYIOECCNSEY-LBPRGKRZSA-N 0 0 377.363 2.894 10 0 GFAERN O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1Cn1ccnc1 ZINC000173732510 655178390 /nfs/dbraw/zinc/17/83/90/655178390.db2.gz FMWMQOFNPKAEQS-SNVBAGLBSA-N 0 0 376.301 2.560 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc(Br)cc3C)CCO2)c1 ZINC000112062981 655181577 /nfs/dbraw/zinc/18/15/77/655181577.db2.gz RZCIVIQJSLUDMR-OAHLLOKOSA-N 0 0 378.270 2.804 10 0 GFAERN CN(C)c1ncc(Br)cc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000113183017 655204578 /nfs/dbraw/zinc/20/45/78/655204578.db2.gz WZMNSRXICYEVNP-GFCCVEGCSA-N 0 0 397.298 2.580 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1cc(Br)ccc1F ZINC000175720745 655225878 /nfs/dbraw/zinc/22/58/78/655225878.db2.gz ZBVAYQICDQTUCB-AWEZNQCLSA-N 0 0 396.264 2.865 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000114672415 655227034 /nfs/dbraw/zinc/22/70/34/655227034.db2.gz NRIJZHLCQIWTNH-JGVFFNPUSA-N 0 0 397.147 2.533 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Br)CC2 ZINC000114867734 655230070 /nfs/dbraw/zinc/23/00/70/655230070.db2.gz SUZMRRMLYUTAQW-VXGBXAGGSA-N 0 0 393.285 2.502 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCSc1ccc(Cl)cc1)CC2 ZINC000114915753 655230501 /nfs/dbraw/zinc/23/05/01/655230501.db2.gz NDJYSMDUOHSQRZ-ZDUSSCGKSA-N 0 0 379.917 2.900 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000176024346 655232132 /nfs/dbraw/zinc/23/21/32/655232132.db2.gz PZLGERXRJYPVAL-GXTWGEPZSA-N 0 0 398.301 2.546 10 0 GFAERN CCc1nnc([C@@H]2CN(S(=O)(=O)/C=C/c3ccccc3Cl)CCO2)o1 ZINC000275387699 655233353 /nfs/dbraw/zinc/23/33/53/655233353.db2.gz ZGHAFCYDUWBAEV-RNVIBTMRSA-N 0 0 383.857 2.659 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116212475 655246208 /nfs/dbraw/zinc/24/62/08/655246208.db2.gz CFNAGHZAYINWMJ-WFASDCNBSA-N 0 0 382.869 2.964 10 0 GFAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(SC(F)(F)F)cc1 ZINC000176749384 655254816 /nfs/dbraw/zinc/25/48/16/655254816.db2.gz IRVQPPOFJGJRKH-LLVKDONJSA-N 0 0 378.401 2.703 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)n1 ZINC000116899660 655256162 /nfs/dbraw/zinc/25/61/62/655256162.db2.gz GQMUVXHLPCAAJY-ZDUSSCGKSA-N 0 0 386.880 2.788 10 0 GFAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000176906807 655260341 /nfs/dbraw/zinc/26/03/41/655260341.db2.gz AXVVHVCFQDBPRX-UHFFFAOYSA-N 0 0 376.265 2.763 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1Br ZINC000118674606 655280781 /nfs/dbraw/zinc/28/07/81/655280781.db2.gz KBFJYYBNAVZJJB-GFCCVEGCSA-N 0 0 379.233 2.777 10 0 GFAERN O=S(=O)(CCN1CCN2CCCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000177771612 655288253 /nfs/dbraw/zinc/28/82/53/655288253.db2.gz XRQQDSBMYYZXFV-CQSZACIVSA-N 0 0 377.337 2.937 10 0 GFAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)O1 ZINC000177914213 655291115 /nfs/dbraw/zinc/29/11/15/655291115.db2.gz IKZPGDQOSRUQJM-MFKMUULPSA-N 0 0 377.794 2.970 10 0 GFAERN C[C@H]1CC[C@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)O1 ZINC000177914197 655291123 /nfs/dbraw/zinc/29/11/23/655291123.db2.gz IKZPGDQOSRUQJM-GXFFZTMASA-N 0 0 377.794 2.970 10 0 GFAERN C[C@@H](NC(=O)NCc1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000178627948 655306331 /nfs/dbraw/zinc/30/63/31/655306331.db2.gz LMASUKADYHXQAW-LLVKDONJSA-N 0 0 378.274 2.937 10 0 GFAERN CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119557595 655307053 /nfs/dbraw/zinc/30/70/53/655307053.db2.gz YTHAGLGNQIVWAV-OAHLLOKOSA-N 0 0 383.466 2.585 10 0 GFAERN C[C@H](NC(=O)NCCNS(=O)(=O)c1cccs1)c1ccc(Cl)s1 ZINC000119908535 655320724 /nfs/dbraw/zinc/32/07/24/655320724.db2.gz QESUXEKPACPLFS-VIFPVBQESA-N 0 0 393.943 2.802 10 0 GFAERN NC(=O)[C@@H]1COCCN1C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 ZINC000180270828 655324895 /nfs/dbraw/zinc/32/48/95/655324895.db2.gz UCQGNMSYISTZNE-VFADXPBXSA-N 0 0 376.865 2.794 10 0 GFAERN C[C@@H]1C[C@H](C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC(C)(C)C1 ZINC000180417050 655326282 /nfs/dbraw/zinc/32/62/82/655326282.db2.gz BMMOVYNAARDISK-NEPJUHHUSA-N 0 0 384.464 2.879 10 0 GFAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000184422580 655357264 /nfs/dbraw/zinc/35/72/64/655357264.db2.gz SWPBQZBHLYTRKW-CVEARBPZSA-N 0 0 375.296 2.644 10 0 GFAERN CCCCN1CCOC[C@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000184504079 655357688 /nfs/dbraw/zinc/35/76/88/655357688.db2.gz BOFBJIGQPRLSFD-GJZGRUSLSA-N 0 0 375.296 2.644 10 0 GFAERN C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000185115250 655362520 /nfs/dbraw/zinc/36/25/20/655362520.db2.gz OELCVNBYKVVRIX-AAEUAGOBSA-N 0 0 375.282 2.791 10 0 GFAERN Cc1ncc(S(=O)(=O)N2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)s1 ZINC000374745146 655401790 /nfs/dbraw/zinc/40/17/90/655401790.db2.gz UNTSTDBNZKCAMG-ZDUSSCGKSA-N 0 0 398.579 2.583 10 0 GFAERN C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CCO[C@H]3CCCC[C@H]32)C1=O ZINC000245402314 655427533 /nfs/dbraw/zinc/42/75/33/655427533.db2.gz HRARDUSBDJWSMR-BWACUDIHSA-N 0 0 383.901 2.769 10 0 GFAERN COC(=O)[C@@H]1CC[C@H](C(=O)O[C@H](C)c2ccc(Br)cc2F)O1 ZINC000248701372 655433096 /nfs/dbraw/zinc/43/30/96/655433096.db2.gz NAJKQFIMFSHCIQ-OXHMUOHRSA-N 0 0 375.190 2.913 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2nc(-c3ccccc3Cl)cs2)CCO1 ZINC000262160368 655444207 /nfs/dbraw/zinc/44/42/07/655444207.db2.gz SPGUSMAHIJAGLP-GFCCVEGCSA-N 0 0 381.885 2.685 10 0 GFAERN CCS(=O)(=O)N1CCC(C(=O)O[C@H](C)c2nc3ccccc3s2)CC1 ZINC000120575460 677396976 /nfs/dbraw/zinc/39/69/76/677396976.db2.gz FPODQVGBDUCWGZ-GFCCVEGCSA-N 0 0 382.507 2.962 10 0 GFAERN C[C@@H]1OC[C@@H]2O[C@H](O)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000255963834 206283872 /nfs/dbraw/zinc/28/38/72/206283872.db2.gz BALYQVSNDKYQHO-GWACVJJOSA-N 0 0 386.444 2.636 10 0 GFAERN Ic1ccc(I)c2nsnc21 ZINC000090560728 206299239 /nfs/dbraw/zinc/29/92/39/206299239.db2.gz LXEFYJDGPPWGGL-UHFFFAOYSA-N 0 0 387.971 2.901 10 0 GFAERN C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)c2ccccc2C1=O ZINC000001466672 206382677 /nfs/dbraw/zinc/38/26/77/206382677.db2.gz HKLCXGQUYYXDKR-AWEZNQCLSA-N 0 0 397.862 2.673 10 0 GFAERN Cc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001254063 206370279 /nfs/dbraw/zinc/37/02/79/206370279.db2.gz HVFDBPXVJYTPLW-KRWDZBQOSA-N 0 0 377.487 2.809 10 0 GFAERN CCn1nc(C(F)(F)F)cc1C(=O)N(C)Cc1c(Br)cnn1C ZINC000002732570 206430769 /nfs/dbraw/zinc/43/07/69/206430769.db2.gz YMFJIHVEKXBRBE-UHFFFAOYSA-N 0 0 394.195 2.690 10 0 GFAERN O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000003019953 206453975 /nfs/dbraw/zinc/45/39/75/206453975.db2.gz KPROKFHSTAYRRB-UHFFFAOYSA-N 0 0 387.288 2.978 10 0 GFAERN Cc1ccc(C(=O)Cn2c3cccnc3c(=O)n(Cc3cccs3)c2=O)cc1 ZINC000013964060 207005371 /nfs/dbraw/zinc/00/53/71/207005371.db2.gz LYILJGOVZMMCQG-UHFFFAOYSA-N 0 0 391.452 2.859 10 0 GFAERN Cc1cc(C(=O)N2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)nn1C ZINC000015001042 207039886 /nfs/dbraw/zinc/03/98/86/207039886.db2.gz HUESPGARMCOEEY-UHFFFAOYSA-N 0 0 376.460 2.756 10 0 GFAERN NC(=O)c1ccc(NC(=O)Cn2ccc(-c3cccc(-c4cncnc4)c3)n2)cc1 ZINC000019812483 207163348 /nfs/dbraw/zinc/16/33/48/207163348.db2.gz PXCKSYWWFBIWRE-UHFFFAOYSA-N 0 0 398.426 2.745 10 0 GFAERN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c(OC)c1 ZINC000020370638 207189596 /nfs/dbraw/zinc/18/95/96/207189596.db2.gz QHQVHAFLVNRQOW-AWEZNQCLSA-N 0 0 397.431 2.654 10 0 GFAERN C[C@@]1(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)CCS(=O)(=O)C1 ZINC000030998269 207380333 /nfs/dbraw/zinc/38/03/33/207380333.db2.gz OBBGLXIXNZIUHX-MRXNPFEDSA-N 0 0 384.910 2.699 10 0 GFAERN COC(=O)c1cccc(NC(=O)[C@@H]2CCc3sc(C(=O)N(C)C)cc3C2)c1 ZINC000065273093 207855891 /nfs/dbraw/zinc/85/58/91/207855891.db2.gz RQWYWKRZTPFWLJ-GFCCVEGCSA-N 0 0 386.473 2.980 10 0 GFAERN CCOC(=O)[C@@H]1Cn2cnc(Br)c2CN(C(=O)OC(C)(C)C)C1 ZINC000091302695 208114482 /nfs/dbraw/zinc/11/44/82/208114482.db2.gz XXQDDGYSUZFUIV-JTQLQIEISA-N 0 0 388.262 2.576 10 0 GFAERN CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1cccc(F)c1 ZINC000095074447 208153603 /nfs/dbraw/zinc/15/36/03/208153603.db2.gz IRZKXZHTTKVZIN-INIZCTEOSA-N 0 0 386.489 2.987 10 0 GFAERN CN(C[C@@H](O)COc1cccc2ccccc21)C1=NS(=O)(=O)c2ccccc21 ZINC000095481849 208194529 /nfs/dbraw/zinc/19/45/29/208194529.db2.gz HARUZVYLIDGQIA-MRXNPFEDSA-N 0 0 396.468 2.660 10 0 GFAERN Cc1c(C(=O)N2CC(C)(C)C2(C)C)cc(Br)cc1S(N)(=O)=O ZINC000095964243 208247081 /nfs/dbraw/zinc/24/70/81/208247081.db2.gz XICDPVAEPWIICV-UHFFFAOYSA-N 0 0 389.315 2.666 10 0 GFAERN Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)NC[C@H]1CCCO1 ZINC000096396487 208314125 /nfs/dbraw/zinc/31/41/25/208314125.db2.gz NYTDPAFMXXWDGD-MRXNPFEDSA-N 0 0 384.407 2.999 10 0 GFAERN Cc1ccc(CC2CCN(C(=O)C(=O)Nc3ccc4oc(=O)[nH]c4c3)CC2)cc1 ZINC000211813201 208815421 /nfs/dbraw/zinc/81/54/21/208815421.db2.gz LPAUJDOKXPOFSU-UHFFFAOYSA-N 0 0 393.443 2.849 10 0 GFAERN C[C@H](CN1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1 ZINC000301054700 209093761 /nfs/dbraw/zinc/09/37/61/209093761.db2.gz HCHREKUQNBLKKM-MRXNPFEDSA-N 0 0 377.485 2.854 10 0 GFAERN Cc1ccc(N2CCN(C(=O)c3csc(C(=O)N4CCCC4)n3)CC2)cc1 ZINC000065199656 136160017 /nfs/dbraw/zinc/16/00/17/136160017.db2.gz HJSQZJDBOZCPRE-UHFFFAOYSA-N 0 0 384.505 2.650 10 0 GFAERN COc1ccc(NC(=O)[C@@H]2CCCN(c3cnc4nccnc4c3)C2)c(OC)c1 ZINC000065227081 136160409 /nfs/dbraw/zinc/16/04/09/136160409.db2.gz NVHPCYKAJLRSRO-CQSZACIVSA-N 0 0 393.447 2.897 10 0 GFAERN Cc1[nH]c(C(=O)NC2CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)cc1Cl ZINC000073196627 136171495 /nfs/dbraw/zinc/17/14/95/136171495.db2.gz QNIYISINHXWSSW-UHFFFAOYSA-N 0 0 396.278 2.523 10 0 GFAERN CC(=O)c1cc(CNC(=O)OC(C)(C)C)cc(I)n1 ZINC000095766948 222358813 /nfs/dbraw/zinc/35/88/13/222358813.db2.gz OHNZADZZMQJDAQ-UHFFFAOYSA-N 0 0 376.194 2.914 10 0 GFAERN Ic1ccc(OC2CC2)c(I)n1 ZINC000095734585 222359995 /nfs/dbraw/zinc/35/99/95/222359995.db2.gz CUCVNOPCHPDWHZ-UHFFFAOYSA-N 0 0 386.958 2.832 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H]2O[C@@H](CNC(=O)OCc3ccccc3)C[C@H]2C1 ZINC000307143369 526427216 /nfs/dbraw/zinc/42/72/16/526427216.db2.gz FJWIJNWULWSJNU-BBWFWOEESA-N 0 0 376.453 2.937 10 0 GFAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccccn3)nc(-c3cccc(F)c3)n2)CC1 ZINC000073685477 527611534 /nfs/dbraw/zinc/61/15/34/527611534.db2.gz SLASVJSPVZSBSQ-UHFFFAOYSA-N 0 0 393.422 2.551 10 0 GFAERN COC(=O)C[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000054820403 551170705 /nfs/dbraw/zinc/17/07/05/551170705.db2.gz XDXUVYXJXFDPSO-UGFHNGPFSA-N 0 0 399.285 2.920 10 0 GFAERN OC[C@H]1CCCN1c1cc(N2CCc3c(Br)cccc3C2)ncn1 ZINC000110411018 551204640 /nfs/dbraw/zinc/20/46/40/551204640.db2.gz OPLJNTYXNIOPAY-CQSZACIVSA-N 0 0 389.297 2.763 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000113590123 551208273 /nfs/dbraw/zinc/20/82/73/551208273.db2.gz GYGHXNRVVGBTRP-GHMZBOCLSA-N 0 0 377.304 2.633 10 0 GFAERN CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116319310 551211620 /nfs/dbraw/zinc/21/16/20/551211620.db2.gz ATODXMKZFMCCAW-LBPRGKRZSA-N 0 0 397.342 2.692 10 0 GFAERN Cn1cc([C@H]2CCN(S(=O)(=O)/C=C/c3ccc(Br)cc3)C2)cn1 ZINC000116369699 551213166 /nfs/dbraw/zinc/21/31/66/551213166.db2.gz JXTYGDAWWQZCAZ-KGXGESDWSA-N 0 0 396.310 2.973 10 0 GFAERN C[C@@H](NC(=O)c1cc(F)c(F)cc1I)[C@@H]1CCCO1 ZINC000121191903 551229258 /nfs/dbraw/zinc/22/92/58/551229258.db2.gz XHQBJCMTJGLVHK-KRTXAFLBSA-N 0 0 381.160 2.867 10 0 GFAERN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1cc(Br)ccc1Cl ZINC000121356880 551232668 /nfs/dbraw/zinc/23/26/68/551232668.db2.gz XQADPZHZJJPHSF-BXKDBHETSA-N 0 0 382.707 2.932 10 0 GFAERN CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@H]1CN(C)CCO1 ZINC000121500243 551235847 /nfs/dbraw/zinc/23/58/47/551235847.db2.gz ABMSJXFEYBVZDQ-INIZCTEOSA-N 0 0 398.345 2.947 10 0 GFAERN O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123141395 551303660 /nfs/dbraw/zinc/30/36/60/551303660.db2.gz YPQRWBRLMPILBZ-PIGZYNQJSA-N 0 0 399.260 2.680 10 0 GFAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123386757 551305972 /nfs/dbraw/zinc/30/59/72/551305972.db2.gz AVZURNSQMIMWPI-YVEFUNNKSA-N 0 0 381.270 2.541 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000126316158 551328111 /nfs/dbraw/zinc/32/81/11/551328111.db2.gz RPANHIYZPWNEDK-ZDUSSCGKSA-N 0 0 398.301 2.745 10 0 GFAERN O=C(CCc1cc(Br)cs1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127226206 551338107 /nfs/dbraw/zinc/33/81/07/551338107.db2.gz CLPBBQRGRWBSDB-LBPRGKRZSA-N 0 0 383.315 2.974 10 0 GFAERN CC(C)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1Br ZINC000129460689 551357720 /nfs/dbraw/zinc/35/77/20/551357720.db2.gz AMYHZGIOYXIPMS-LBPRGKRZSA-N 0 0 392.301 2.632 10 0 GFAERN CCN(CC)S(=O)(=O)c1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)ccc1Cl ZINC000131288652 551374053 /nfs/dbraw/zinc/37/40/53/551374053.db2.gz VAHGPQGEGLFMFA-STQMWFEESA-N 0 0 388.917 2.620 10 0 GFAERN CCCCCc1nnc(NC(=O)CN2CCO[C@@H](c3nccs3)C2)s1 ZINC000137001559 551390358 /nfs/dbraw/zinc/39/03/58/551390358.db2.gz UJPMGPPADQXTPY-GFCCVEGCSA-N 0 0 381.527 2.739 10 0 GFAERN COC(=O)[C@@H](Cc1ccccn1)NC(=O)Nc1ccc(Br)cc1F ZINC000143075370 551395360 /nfs/dbraw/zinc/39/53/60/551395360.db2.gz IYSFZURPAFKZMG-CQSZACIVSA-N 0 0 396.216 2.889 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C)nc1Br ZINC000151470473 551414440 /nfs/dbraw/zinc/41/44/40/551414440.db2.gz NWNJVHDHUOAUAT-NSHDSACASA-N 0 0 395.261 2.547 10 0 GFAERN COc1cc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)sc1S(N)(=O)=O ZINC000151493913 551414983 /nfs/dbraw/zinc/41/49/83/551414983.db2.gz FDOAIXBMVISLFO-SSDOTTSWSA-N 0 0 392.861 2.688 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C[C@H](C)O1 ZINC000152067008 551425928 /nfs/dbraw/zinc/42/59/28/551425928.db2.gz INEMARLZGISSJA-IUCAKERBSA-N 0 0 375.650 2.677 10 0 GFAERN CSCC[C@H](NC(=O)[C@H](C)N1CCSCC1)c1nc2ccccc2[nH]1 ZINC000152325721 551430936 /nfs/dbraw/zinc/43/09/36/551430936.db2.gz HXARCIOSFUUAHU-BBRMVZONSA-N 0 0 378.567 2.911 10 0 GFAERN Cc1ccc(Br)c(C(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000152836779 551440481 /nfs/dbraw/zinc/44/04/81/551440481.db2.gz DTOZTMNAYNTXOJ-UHFFFAOYSA-N 0 0 375.270 2.900 10 0 GFAERN C[C@H](NC(=O)NCc1ccc(O)c(Br)c1)c1nnc2n1CCCC2 ZINC000153448410 551452603 /nfs/dbraw/zinc/45/26/03/551452603.db2.gz ZAMLLDQHBGTKIL-JTQLQIEISA-N 0 0 394.273 2.643 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cncc(Br)c1)c1ccc(F)c(F)c1 ZINC000153537767 551454759 /nfs/dbraw/zinc/45/47/59/551454759.db2.gz MXDMDJIRPIVXAD-MRVPVSSYSA-N 0 0 384.180 2.938 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000153925935 551462995 /nfs/dbraw/zinc/46/29/95/551462995.db2.gz WHXRAAYYCCNNQI-FZMZJTMJSA-N 0 0 385.277 2.894 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(F)c(F)c1 ZINC000153975577 551464669 /nfs/dbraw/zinc/46/46/69/551464669.db2.gz QUULPOYWPWMTEV-SECBINFHSA-N 0 0 393.408 2.547 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(F)ccc1Br ZINC000155178914 551493580 /nfs/dbraw/zinc/49/35/80/551493580.db2.gz AKYVOCLDHLRZRU-GFCCVEGCSA-N 0 0 383.221 2.591 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1I ZINC000155795788 551507708 /nfs/dbraw/zinc/50/77/08/551507708.db2.gz QCFUHZZUEZENIP-ZANVPECISA-N 0 0 377.197 2.711 10 0 GFAERN Cc1ccc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c(Br)n1 ZINC000156279383 551518682 /nfs/dbraw/zinc/51/86/82/551518682.db2.gz RYNGXNKAVWRLQM-LLVKDONJSA-N 0 0 378.274 2.612 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cc(F)ccc1Br ZINC000156498008 551523865 /nfs/dbraw/zinc/52/38/65/551523865.db2.gz GQTHKLDOVLRQHB-VIFPVBQESA-N 0 0 396.278 2.939 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccccc1Br ZINC000157277639 551536024 /nfs/dbraw/zinc/53/60/24/551536024.db2.gz MVOWEZFBTSKKRP-CYBMUJFWSA-N 0 0 394.273 2.521 10 0 GFAERN COc1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)c(I)c1 ZINC000157437882 551537948 /nfs/dbraw/zinc/53/79/48/551537948.db2.gz RCAXFRLGZDBDFM-AOOOYVTPSA-N 0 0 375.206 2.549 10 0 GFAERN O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(Nc2cccnn2)CC1 ZINC000163517482 551620671 /nfs/dbraw/zinc/62/06/71/551620671.db2.gz OFNDPZGCFHVIQJ-MRXNPFEDSA-N 0 0 381.263 2.920 10 0 GFAERN C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CCCn2ncnc21 ZINC000164641943 551626535 /nfs/dbraw/zinc/62/65/35/551626535.db2.gz IEPLBTOCSJCVON-RISCZKNCSA-N 0 0 378.274 2.882 10 0 GFAERN C[C@H]1CN(CC(=O)Nc2ccccc2I)CCS1 ZINC000171701894 551661288 /nfs/dbraw/zinc/66/12/88/551661288.db2.gz JNJKBMDJFITDJO-JTQLQIEISA-N 0 0 376.263 2.667 10 0 GFAERN C[C@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000171232690 551651084 /nfs/dbraw/zinc/65/10/84/551651084.db2.gz MRHYDJTXMKZAQT-JTQLQIEISA-N 0 0 385.848 2.687 10 0 GFAERN Cc1ccc(NC(=O)CN2CCC[C@H](n3cncn3)C2)c(Br)c1 ZINC000171703729 551661681 /nfs/dbraw/zinc/66/16/81/551661681.db2.gz FMQROPAHIKKYIG-ZDUSSCGKSA-N 0 0 378.274 2.625 10 0 GFAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)CCO1 ZINC000172278520 551674980 /nfs/dbraw/zinc/67/49/80/551674980.db2.gz RJYIPKBZPBKPMO-MWLCHTKSSA-N 0 0 392.258 2.740 10 0 GFAERN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172749375 551686584 /nfs/dbraw/zinc/68/65/84/551686584.db2.gz PJYHGXXSTTXSRD-WMZOPIPTSA-N 0 0 395.341 2.951 10 0 GFAERN O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000172806524 551687216 /nfs/dbraw/zinc/68/72/16/551687216.db2.gz FPCYANQRTWLBMA-LBPRGKRZSA-N 0 0 392.714 2.992 10 0 GFAERN Cc1csc([C@H]2CCCN(C(=O)c3sccc3S(=O)(=O)N(C)C)C2)n1 ZINC000173070777 551694290 /nfs/dbraw/zinc/69/42/90/551694290.db2.gz NTFBTMDTPFSKCV-LBPRGKRZSA-N 0 0 399.563 2.783 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3[nH]c4ccccc4c3Br)CCO2)[nH]1 ZINC000173085861 551695391 /nfs/dbraw/zinc/69/53/91/551695391.db2.gz AUHOIZDYCWRLRU-LBPRGKRZSA-N 0 0 390.241 2.571 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)[C@H]3SCCc4sccc43)CC2)cn1 ZINC000173094552 551695803 /nfs/dbraw/zinc/69/58/03/551695803.db2.gz AIYLPLMBZPHPSS-KRWDZBQOSA-N 0 0 376.551 2.547 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)CCc3cccc(Br)c3)CCO2)[nH]1 ZINC000173094714 551696150 /nfs/dbraw/zinc/69/61/50/551696150.db2.gz YZDDHAWCLXOEGE-CQSZACIVSA-N 0 0 393.285 2.662 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3cccc(S(N)(=O)=O)c3)C2)n1 ZINC000173138193 552078598 /nfs/dbraw/zinc/07/85/98/552078598.db2.gz KIQDKSUBYPSFLP-GFCCVEGCSA-N 0 0 380.495 2.510 10 0 GFAERN C[C@@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccc(Br)s1 ZINC000173334037 552083318 /nfs/dbraw/zinc/08/33/18/552083318.db2.gz NVRWSOVFZBEBAY-NEPJUHHUSA-N 0 0 384.299 2.738 10 0 GFAERN O=C(COc1cc(Cl)cc(Cl)c1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000173526562 552087335 /nfs/dbraw/zinc/08/73/35/552087335.db2.gz PYRZNOVAZGITNQ-AWEZNQCLSA-N 0 0 381.263 2.947 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000173771502 552091439 /nfs/dbraw/zinc/09/14/39/552091439.db2.gz WRJHOPOUDZKAJR-CYBMUJFWSA-N 0 0 375.803 2.752 10 0 GFAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]c(=O)c(Br)c2)C12CCCC2 ZINC000173893421 552095320 /nfs/dbraw/zinc/09/53/20/552095320.db2.gz NUTHRSBJVUVABC-ZIAGYGMSSA-N 0 0 383.286 2.947 10 0 GFAERN C[C@@H](N[C@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N(C)CC(=O)NC1CC1 ZINC000173976466 552096265 /nfs/dbraw/zinc/09/62/65/552096265.db2.gz SKTVOZMMZLGZFL-NXEZZACHSA-N 0 0 390.286 2.909 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2Cl)C[C@@H]1C ZINC000174353646 552102951 /nfs/dbraw/zinc/10/29/51/552102951.db2.gz YZWSTVTTWJNEHH-WDEREUQCSA-N 0 0 375.694 2.630 10 0 GFAERN O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174892987 552111981 /nfs/dbraw/zinc/11/19/81/552111981.db2.gz HWOUTAAOHFXFJA-GOEBONIOSA-N 0 0 391.265 2.866 10 0 GFAERN Cc1ccc([C@H](CNS(=O)(=O)c2ccccc2F)N2CCOCC2)s1 ZINC000175217460 552117792 /nfs/dbraw/zinc/11/77/92/552117792.db2.gz SVXYQRRGEIFONY-HNNXBMFYSA-N 0 0 384.498 2.547 10 0 GFAERN Cc1ccc([C@H](CNS(=O)(=O)c2cccc(C)c2)N2CCOCC2)s1 ZINC000175216544 552117965 /nfs/dbraw/zinc/11/79/65/552117965.db2.gz PXYIOPLAHYZETP-KRWDZBQOSA-N 0 0 380.535 2.717 10 0 GFAERN COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)ccc1F ZINC000175379308 552120639 /nfs/dbraw/zinc/12/06/39/552120639.db2.gz SDJPEGFIMUXOIK-CQSZACIVSA-N 0 0 384.454 2.985 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCc2cccc(Br)c2C1 ZINC000175872024 552130825 /nfs/dbraw/zinc/13/08/25/552130825.db2.gz NRIMYABRLQHYGP-HNNXBMFYSA-N 0 0 390.285 2.952 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000175868620 552130857 /nfs/dbraw/zinc/13/08/57/552130857.db2.gz MGRAPODXEAWKBS-KBPBESRZSA-N 0 0 384.267 2.761 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)[C@H]1CCCO1 ZINC000175951163 552132517 /nfs/dbraw/zinc/13/25/17/552132517.db2.gz KILGJFZNXQTJEW-JMCQJSRRSA-N 0 0 393.640 2.864 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000176342369 552138997 /nfs/dbraw/zinc/13/89/97/552138997.db2.gz XSFJYYBHESTYIZ-VIFPVBQESA-N 0 0 376.511 2.843 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000177001471 552149387 /nfs/dbraw/zinc/14/93/87/552149387.db2.gz ZLILOUYIKDMRFW-ZDUSSCGKSA-N 0 0 399.314 2.779 10 0 GFAERN Cc1cc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1Br ZINC000177691491 552157217 /nfs/dbraw/zinc/15/72/17/552157217.db2.gz YTDYBXDGNBIMMR-BBRMVZONSA-N 0 0 382.302 2.942 10 0 GFAERN Cc1ccc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1Br ZINC000177730944 552158242 /nfs/dbraw/zinc/15/82/42/552158242.db2.gz LEIUWKFFRAVEOJ-CZUORRHYSA-N 0 0 382.302 2.942 10 0 GFAERN Cn1cc(NC(=O)N[C@H]2CCOc3ccccc32)cc(Br)c1=O ZINC000178289019 552168392 /nfs/dbraw/zinc/16/83/92/552168392.db2.gz IJJLJEGYXXKUPI-ZDUSSCGKSA-N 0 0 378.226 2.793 10 0 GFAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178333449 552169243 /nfs/dbraw/zinc/16/92/43/552169243.db2.gz SERAXEBWSNKTHV-PXAZEXFGSA-N 0 0 382.254 2.945 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)c1ccc(Cl)s1 ZINC000178418304 552170316 /nfs/dbraw/zinc/17/03/16/552170316.db2.gz KSJKCAYAINXFAM-SECBINFHSA-N 0 0 398.893 2.547 10 0 GFAERN Cc1csc(CNC(=O)NC[C@@H](c2ccc(C)s2)N2CCOCC2)n1 ZINC000178487382 552171485 /nfs/dbraw/zinc/17/14/85/552171485.db2.gz QDDANPHDBUHGFW-AWEZNQCLSA-N 0 0 380.539 2.694 10 0 GFAERN CN(C(=O)c1ccc(Br)cc1O)[C@H]1CCCN(c2cccnn2)C1 ZINC000179590775 552197015 /nfs/dbraw/zinc/19/70/15/552197015.db2.gz XJOIMDAWTPQDCG-ZDUSSCGKSA-N 0 0 391.269 2.686 10 0 GFAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179855111 552205478 /nfs/dbraw/zinc/20/54/78/552205478.db2.gz XOAXBHJLYOUZQX-NSHDSACASA-N 0 0 377.235 2.515 10 0 GFAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H](C)C2 ZINC000180598154 552231374 /nfs/dbraw/zinc/23/13/74/552231374.db2.gz OXBQHFNEMFDFNX-SCLBCKFNSA-N 0 0 379.503 2.610 10 0 GFAERN C[C@@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nc(-c2cccs2)no1 ZINC000181565758 552261249 /nfs/dbraw/zinc/26/12/49/552261249.db2.gz MGJPODKIOYHMPQ-WDEREUQCSA-N 0 0 378.479 2.857 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181870553 552269982 /nfs/dbraw/zinc/26/99/82/552269982.db2.gz OTEYRQSVMNLJEJ-BXKDBHETSA-N 0 0 376.787 2.547 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccc(Br)cc3C)CCO2)[nH]1 ZINC000182220334 552278402 /nfs/dbraw/zinc/27/84/02/552278402.db2.gz YVKAUSUGTILEQF-CQSZACIVSA-N 0 0 393.285 2.581 10 0 GFAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCS[C@@H](C)C1 ZINC000184663186 552341872 /nfs/dbraw/zinc/34/18/72/552341872.db2.gz MDYWMIZFQXAOSC-JTQLQIEISA-N 0 0 387.299 2.669 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2F)C12CCOCC2 ZINC000185148148 552355395 /nfs/dbraw/zinc/35/53/95/552355395.db2.gz PKWXLTRIPIZGFF-LSDHHAIUSA-N 0 0 377.865 2.732 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCc1cc2cc(Br)ccc2[nH]1)C(C)C ZINC000185882893 552372858 /nfs/dbraw/zinc/37/28/58/552372858.db2.gz XKJRSIITZYTRNY-CQSZACIVSA-N 0 0 381.274 2.500 10 0 GFAERN CSc1cccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000186271085 552383305 /nfs/dbraw/zinc/38/33/05/552383305.db2.gz GTCGKAPBLVHZMW-BBRMVZONSA-N 0 0 376.503 2.643 10 0 GFAERN O=C(Nc1ccc(F)cc1Cl)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186319743 552384785 /nfs/dbraw/zinc/38/47/85/552384785.db2.gz UOKSHNSSVXIILI-AAEUAGOBSA-N 0 0 382.844 2.714 10 0 GFAERN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186622402 552392511 /nfs/dbraw/zinc/39/25/11/552392511.db2.gz ZXFVRRKXCBRQCV-LLVKDONJSA-N 0 0 389.279 2.768 10 0 GFAERN CCc1nnc([C@@H]2CN(Cc3cccc(Br)c3OC)CCO2)[nH]1 ZINC000186764067 552397067 /nfs/dbraw/zinc/39/70/67/552397067.db2.gz BZJNVXUTGZMPBB-ZDUSSCGKSA-N 0 0 381.274 2.712 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1nc(Br)ccc1Br ZINC000188009557 552431155 /nfs/dbraw/zinc/43/11/55/552431155.db2.gz RQZCXZTYHWMPBN-WPRPVWTQSA-N 0 0 392.091 2.888 10 0 GFAERN Cc1noc([C@@H]2COCCN2CC2=Cc3cc(Br)ccc3OC2)n1 ZINC000188466820 552445685 /nfs/dbraw/zinc/44/56/85/552445685.db2.gz SFHUZDYHENCALM-HNNXBMFYSA-N 0 0 392.253 2.990 10 0 GFAERN CCOc1ccc(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C)c1 ZINC000188875281 552457426 /nfs/dbraw/zinc/45/74/26/552457426.db2.gz MXPGUXDRMYAOFB-RDJZCZTQSA-N 0 0 381.519 2.852 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000189064017 552461872 /nfs/dbraw/zinc/46/18/72/552461872.db2.gz KPIKCSMPRDUDAS-MJBXVCDLSA-N 0 0 386.235 2.707 10 0 GFAERN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189364835 552469518 /nfs/dbraw/zinc/46/95/18/552469518.db2.gz QZSIRXPNAOFDDZ-JTQLQIEISA-N 0 0 383.261 2.504 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C2)cn1 ZINC000190487069 552498216 /nfs/dbraw/zinc/49/82/16/552498216.db2.gz JRRBAXWQVKKRQG-VIFPVBQESA-N 0 0 385.226 2.821 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(Br)c(F)cc2F)n1 ZINC000190635907 552504343 /nfs/dbraw/zinc/50/43/43/552504343.db2.gz LHFMOAAPVDTNNR-LBPRGKRZSA-N 0 0 388.168 2.632 10 0 GFAERN COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000190741056 552507329 /nfs/dbraw/zinc/50/73/29/552507329.db2.gz YGUFTTDGXPXDJF-ZDUSSCGKSA-N 0 0 384.479 2.765 10 0 GFAERN CN1CCO[C@@H](CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)C1 ZINC000190746518 552507433 /nfs/dbraw/zinc/50/74/33/552507433.db2.gz MJRPBYCBVVEVOK-HNNXBMFYSA-N 0 0 375.296 2.845 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)Cc2ccc(I)cc2)cn1 ZINC000190922887 552513408 /nfs/dbraw/zinc/51/34/08/552513408.db2.gz ATXZBZSOANDQCM-OAHLLOKOSA-N 0 0 395.244 2.931 10 0 GFAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000190968095 552515019 /nfs/dbraw/zinc/51/50/19/552515019.db2.gz JHJDTOSWQNPKJL-XJKSGUPXSA-N 0 0 395.297 2.549 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1snnc1C)c1cccc(Br)c1 ZINC000191386199 552526549 /nfs/dbraw/zinc/52/65/49/552526549.db2.gz FDVLNSJCWPDNJB-NSHDSACASA-N 0 0 384.255 2.643 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1ccc(Br)cc1 ZINC000191419245 552527408 /nfs/dbraw/zinc/52/74/08/552527408.db2.gz VBBQUARQRLNHKO-DFBGVHRSSA-N 0 0 384.270 2.985 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3nc(Br)ccc3C)C2)n1 ZINC000191678966 552534693 /nfs/dbraw/zinc/53/46/93/552534693.db2.gz GOAUCRUARNDOSF-CQSZACIVSA-N 0 0 392.301 2.913 10 0 GFAERN CCn1cc([C@H]2CN(Cc3cnc4ccc(Br)cn34)CCO2)cn1 ZINC000191714375 552535627 /nfs/dbraw/zinc/53/56/27/552535627.db2.gz WFULHEPEUWUMIA-MRXNPFEDSA-N 0 0 390.285 2.887 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Cc3cc(Br)ccc3F)CCO2)cn1 ZINC000191736883 552536502 /nfs/dbraw/zinc/53/65/02/552536502.db2.gz LZFFYENLCAPYSL-INIZCTEOSA-N 0 0 396.260 2.947 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CCO2)cn1 ZINC000191753074 552536913 /nfs/dbraw/zinc/53/69/13/552536913.db2.gz VTMVEPXMTJXHMO-HOTGVXAUSA-N 0 0 384.263 2.843 10 0 GFAERN O=C(N1CCC[C@@H](n2cncn2)C1)C1(c2ccccc2Br)CC1 ZINC000191912886 552542084 /nfs/dbraw/zinc/54/20/84/552542084.db2.gz DKOCHOVGXINJIA-CYBMUJFWSA-N 0 0 375.270 2.936 10 0 GFAERN C[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@@H]1N1CCOCC1 ZINC000191917046 552542546 /nfs/dbraw/zinc/54/25/46/552542546.db2.gz CAMGYCIVJRVLGE-YOEHRIQHSA-N 0 0 393.325 2.660 10 0 GFAERN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000192008001 552545434 /nfs/dbraw/zinc/54/54/34/552545434.db2.gz KJPZFPFABDUZSA-BBRMVZONSA-N 0 0 384.263 2.805 10 0 GFAERN COC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c1Br ZINC000192424950 552562955 /nfs/dbraw/zinc/56/29/55/552562955.db2.gz GIWIGSVXVFJBMQ-JQWIXIFHSA-N 0 0 385.258 2.908 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@@H]1CCOC[C@H]1C)c1cccc(Br)c1 ZINC000194128017 553012355 /nfs/dbraw/zinc/01/23/55/553012355.db2.gz NARKUKTXRCSLBP-DFBGVHRSSA-N 0 0 384.270 2.842 10 0 GFAERN Cn1c(C[S@@](=O)Cc2ccn(-c3ccc(Cl)cc3)n2)nnc1C1CC1 ZINC000194323378 553017785 /nfs/dbraw/zinc/01/77/85/553017785.db2.gz YVQSKUPVYRCIIA-VWLOTQADSA-N 0 0 375.885 2.981 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000195405497 553047743 /nfs/dbraw/zinc/04/77/43/553047743.db2.gz SYBDREWBNBTEER-GFCCVEGCSA-N 0 0 397.269 2.699 10 0 GFAERN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2N)cc1 ZINC000226347696 553061641 /nfs/dbraw/zinc/06/16/41/553061641.db2.gz KXDHUSTZMVZBEN-UHFFFAOYSA-N 0 0 384.255 2.791 10 0 GFAERN Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)c(C)o1 ZINC000245822522 553097840 /nfs/dbraw/zinc/09/78/40/553097840.db2.gz AKRCKTSQGTUIEC-DZGCQCFKSA-N 0 0 384.523 2.698 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000245852444 553098558 /nfs/dbraw/zinc/09/85/58/553098558.db2.gz CRGRFRMSXMEJSL-NSHDSACASA-N 0 0 379.345 2.678 10 0 GFAERN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@H]1CCCC[C@H]1O ZINC000245888642 553098874 /nfs/dbraw/zinc/09/88/74/553098874.db2.gz BYRFBJXIYAKGIZ-RRFJBIMHSA-N 0 0 386.279 2.701 10 0 GFAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000246184748 553104152 /nfs/dbraw/zinc/10/41/52/553104152.db2.gz LIYFFXRBLZZGLC-YMTOWFKASA-N 0 0 384.267 2.820 10 0 GFAERN CN1CCO[C@H](CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000246903999 553115052 /nfs/dbraw/zinc/11/50/52/553115052.db2.gz VIYUYURPCFPFMG-DYVFJYSZSA-N 0 0 377.535 2.797 10 0 GFAERN COCCN1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000247770500 553125108 /nfs/dbraw/zinc/12/51/08/553125108.db2.gz OXNBWVLQIAWQRS-ZIAGYGMSSA-N 0 0 388.339 2.823 10 0 GFAERN C[C@H](NC(=O)Cn1c2ccccc2n(C)c1=O)c1cccc(Br)c1 ZINC000248028932 553127163 /nfs/dbraw/zinc/12/71/63/553127163.db2.gz NLOFYLLRUBKHRI-LBPRGKRZSA-N 0 0 388.265 2.980 10 0 GFAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCN2C(=O)NC[C@H]2C1 ZINC000248065220 553127812 /nfs/dbraw/zinc/12/78/12/553127812.db2.gz ZHXNGBWEXSTZDQ-VHRBIJSZSA-N 0 0 383.279 2.516 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262553599 553172590 /nfs/dbraw/zinc/17/25/90/553172590.db2.gz VQIJKVGUUOVCNE-ZDUSSCGKSA-N 0 0 399.285 2.549 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000262852487 553177441 /nfs/dbraw/zinc/17/74/41/553177441.db2.gz XFQQJPJVJGGZMI-UHFFFAOYSA-N 0 0 395.297 2.534 10 0 GFAERN CCN1CC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263281096 553185272 /nfs/dbraw/zinc/18/52/72/553185272.db2.gz UGEGBLOHIHQVBC-RRFJBIMHSA-N 0 0 375.822 2.728 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ncc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000263400071 553187662 /nfs/dbraw/zinc/18/76/62/553187662.db2.gz ISBMYDGXXURHDU-CQSZACIVSA-N 0 0 381.885 2.685 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(Br)ccc2F)C1 ZINC000263493165 553188728 /nfs/dbraw/zinc/18/87/28/553188728.db2.gz PQSGBWDHPIXJOW-UHFFFAOYSA-N 0 0 388.237 2.647 10 0 GFAERN CCC(=O)N[C@@H]1CCCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)C1 ZINC000301178193 563395873 /nfs/dbraw/zinc/39/58/73/563395873.db2.gz MCFASSMWTHYCDL-LLVKDONJSA-N 0 0 382.379 2.614 10 0 GFAERN CN(c1nn2cc(C(C)(C)C)nc2s1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000301233889 563397300 /nfs/dbraw/zinc/39/73/00/563397300.db2.gz KPKJHHSJYQUYJA-SECBINFHSA-N 0 0 375.420 2.688 10 0 GFAERN CC(C)c1nsc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 ZINC000301607700 563408092 /nfs/dbraw/zinc/40/80/92/563408092.db2.gz ZKXKJPNDTFSWHF-MDWZMJQESA-N 0 0 378.523 2.784 10 0 GFAERN CCN(CC(=O)NC(C)C)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl ZINC000301739027 563411682 /nfs/dbraw/zinc/41/16/82/563411682.db2.gz SSNKSINNRRSPDL-UHFFFAOYSA-N 0 0 383.279 2.890 10 0 GFAERN O=C1CC[C@H](Nc2ccnc3cc(Br)cnc32)[C@@H]([C@@H]2CCCO2)N1 ZINC000367758861 563854133 /nfs/dbraw/zinc/85/41/33/563854133.db2.gz RRMYXHXGBMDNOW-YLVFBTJISA-N 0 0 391.269 2.630 10 0 GFAERN Cc1ccc(C(=O)N2CCO[C@@H](CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000034667058 570292702 /nfs/dbraw/zinc/29/27/02/570292702.db2.gz CMQSOMRNPASMEE-QFIPXVFZSA-N 0 0 379.504 2.658 10 0 GFAERN COC(=O)c1cc(F)c2c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@H]2[NH3+] ZINC000725259708 570306400 /nfs/dbraw/zinc/30/64/00/570306400.db2.gz IGBIKQPCTLLHBU-BFUOFWGJSA-N 0 0 380.416 2.774 10 0 GFAERN COCCNC(=O)[C@H]1CN(C(=O)c2ccccc2C)C[C@H]1c1cccc(OC)c1 ZINC000036045703 570519368 /nfs/dbraw/zinc/51/93/68/570519368.db2.gz ZFHBDPFUTREROG-SFTDATJTSA-N 0 0 396.487 2.622 10 0 GFAERN Cc1cc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)nc(N(C)C)n1 ZINC000188288535 570538922 /nfs/dbraw/zinc/53/89/22/570538922.db2.gz QHZSPUHFTYMCSW-UHFFFAOYSA-N 0 0 382.489 2.997 10 0 GFAERN CCOC(=O)CC1=CC(=O)N(CC(=O)NC2CCCCC2)c2ccccc2N1 ZINC000064869307 570572876 /nfs/dbraw/zinc/57/28/76/570572876.db2.gz DDFHGEIEQMBOEW-UHFFFAOYSA-N 0 0 385.464 2.731 10 0 GFAERN C[C@H](NC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1)[C@@H]1CCCO1 ZINC000583624079 570801986 /nfs/dbraw/zinc/80/19/86/570801986.db2.gz LXBJTFYGITUEOF-JZXOWHBKSA-N 0 0 375.517 2.691 10 0 GFAERN CC(=O)c1ccc(NC(=O)N2C[C@H]3C[C@@H]2[C@@H](NC(=O)c2cccnc2)C3)cc1 ZINC000097112850 570895942 /nfs/dbraw/zinc/89/59/42/570895942.db2.gz GIJRJNYSOMUMFD-MDASCCDHSA-N 0 0 378.432 2.709 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)[C@@H]1CCO[C@H]1C)CC2 ZINC000547697766 570904106 /nfs/dbraw/zinc/90/41/06/570904106.db2.gz USQSPJJVXMYVOU-BMGDILEWSA-N 0 0 376.522 2.903 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)[C@H]1CCO[C@@H]1C)CC2 ZINC000547697767 570904188 /nfs/dbraw/zinc/90/41/88/570904188.db2.gz USQSPJJVXMYVOU-FHLIZLRMSA-N 0 0 376.522 2.903 10 0 GFAERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000105888126 570933224 /nfs/dbraw/zinc/93/32/24/570933224.db2.gz WUZLDZBOVZKGBY-MCPREKNCSA-N 0 0 396.491 2.714 10 0 GFAERN COc1ccc(CC(=O)NCCn2c3ncccc3nc2C(F)(F)F)cc1 ZINC000046915643 570937417 /nfs/dbraw/zinc/93/74/17/570937417.db2.gz MOGOWGLYWCJEGE-UHFFFAOYSA-N 0 0 378.354 2.818 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1cccs1 ZINC000027953396 654567568 /nfs/dbraw/zinc/56/75/68/654567568.db2.gz GWXOVBABJOERKF-SECBINFHSA-N 0 0 379.912 2.845 10 0 GFAERN C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1cccs1 ZINC000027953400 654567629 /nfs/dbraw/zinc/56/76/29/654567629.db2.gz GWXOVBABJOERKF-VIFPVBQESA-N 0 0 379.912 2.845 10 0 GFAERN COCCN(Cc1ccco1)C[C@H](O)COc1cccc(Br)c1 ZINC000046062214 654674690 /nfs/dbraw/zinc/67/46/90/654674690.db2.gz YRNFICUKPIRZFD-HNNXBMFYSA-N 0 0 384.270 2.930 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000052605705 654737256 /nfs/dbraw/zinc/73/72/56/654737256.db2.gz SGPYLMFMGVWTBY-AWEZNQCLSA-N 0 0 378.416 2.526 10 0 GFAERN CCOC(=O)N1CCN(C(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000054065995 654755825 /nfs/dbraw/zinc/75/58/25/654755825.db2.gz QCYCIZZSLJQIAN-LBPRGKRZSA-N 0 0 384.274 2.994 10 0 GFAERN CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cs1 ZINC000125346305 654791611 /nfs/dbraw/zinc/79/16/11/654791611.db2.gz MXRRLXNDSLJMDP-HZPDHXFCSA-N 0 0 379.503 2.880 10 0 GFAERN Cc1cnn(C[C@H]2CN(CCOc3ccccc3Br)CCO2)c1 ZINC000126681644 654818696 /nfs/dbraw/zinc/81/86/96/654818696.db2.gz KVXBPULCGVKDNW-OAHLLOKOSA-N 0 0 380.286 2.734 10 0 GFAERN CN(Cc1nccs1)C(=O)[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1nccs1 ZINC000126822043 654821904 /nfs/dbraw/zinc/82/19/04/654821904.db2.gz YYTYSLXEQCZYQO-BETUJISGSA-N 0 0 378.523 2.633 10 0 GFAERN CN(CC(=O)N[C@@H]1COc2ccccc21)C(=O)c1ccc(Br)s1 ZINC000058725944 654821910 /nfs/dbraw/zinc/82/19/10/654821910.db2.gz WNGILAJJRAPIKK-LLVKDONJSA-N 0 0 395.278 2.833 10 0 GFAERN CC(C)CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000066281759 654899513 /nfs/dbraw/zinc/89/95/13/654899513.db2.gz PHCIEFVUJPPTBP-MRXNPFEDSA-N 0 0 378.519 2.636 10 0 GFAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C)c1cccc(Br)c1 ZINC000131379511 654904566 /nfs/dbraw/zinc/90/45/66/654904566.db2.gz YNVRVMDODXIKOO-SRVKXCTJSA-N 0 0 389.315 2.727 10 0 GFAERN C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Br)c([O-])c(Br)c2)C1 ZINC000133051806 654953503 /nfs/dbraw/zinc/95/35/03/654953503.db2.gz LZXBSRLGKVPGTN-SECBINFHSA-N 0 0 392.091 2.693 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc(C)nc2Br)C1 ZINC000132315812 654933352 /nfs/dbraw/zinc/93/33/52/654933352.db2.gz AVMGACZXMOVWLG-LBPRGKRZSA-N 0 0 378.274 2.784 10 0 GFAERN O=S(=O)(c1ccccc1Br)N1CC[C@H](Oc2cccnc2)C1 ZINC000132704983 654946586 /nfs/dbraw/zinc/94/65/86/654946586.db2.gz QGWZTDGNJMMNID-ZDUSSCGKSA-N 0 0 383.267 2.686 10 0 GFAERN CN1CCO[C@@H](CNC(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC000134721355 655002009 /nfs/dbraw/zinc/00/20/09/655002009.db2.gz CGAVPFXKRGJJAZ-ZDUSSCGKSA-N 0 0 387.343 2.767 10 0 GFAERN C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1c(Cl)ccc(F)c1Cl ZINC000097699408 655037777 /nfs/dbraw/zinc/03/77/77/655037777.db2.gz NERXOBXXXDDTRC-VIFPVBQESA-N 0 0 383.210 2.819 10 0 GFAERN CS(=O)(=O)c1ccc2c(c1)CCCN2S(=O)(=O)/C=C/c1ccccc1 ZINC000102156149 655051902 /nfs/dbraw/zinc/05/19/02/655051902.db2.gz IKDPACOTMMDQGA-ACCUITESSA-N 0 0 377.487 2.843 10 0 GFAERN Cn1c2ccc(Cl)cc2n(CN2CCO[C@@H](Cn3cccn3)C2)c1=S ZINC000152793257 655061890 /nfs/dbraw/zinc/06/18/90/655061890.db2.gz POWZVXNNMZCQLI-CQSZACIVSA-N 0 0 377.901 2.918 10 0 GFAERN O[C@@H](CN1CCC(Nc2cccnn2)CC1)c1ccccc1Br ZINC000152931372 655063132 /nfs/dbraw/zinc/06/31/32/655063132.db2.gz ZQBYSQCSSWSHTR-INIZCTEOSA-N 0 0 377.286 2.849 10 0 GFAERN CCOCCN1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000106112628 655102958 /nfs/dbraw/zinc/10/29/58/655102958.db2.gz VCEOKIVPXKCFJK-GJZGRUSLSA-N 0 0 398.345 2.819 10 0 GFAERN Cc1noc([C@@H](C)N2CCN(C[C@@H](O)c3cccc(Br)c3)CC2)n1 ZINC000106134601 655103812 /nfs/dbraw/zinc/10/38/12/655103812.db2.gz WQVJNQAEPKHGNH-MLGOLLRUSA-N 0 0 395.301 2.553 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cccc(Br)n3)CC2)cs1 ZINC000107097839 655117248 /nfs/dbraw/zinc/11/72/48/655117248.db2.gz SGAYLZGAOIVVMH-UHFFFAOYSA-N 0 0 395.326 2.957 10 0 GFAERN C[C@@H](OC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccc(I)cc1 ZINC000171107201 655148794 /nfs/dbraw/zinc/14/87/94/655148794.db2.gz WZRDLZDLZIKMHJ-ZYHUDNBSSA-N 0 0 387.217 2.764 10 0 GFAERN O=C(OCCSCc1ccc(Br)cc1F)[C@@H]1CNC(=O)C1 ZINC000171502037 655152093 /nfs/dbraw/zinc/15/20/93/655152093.db2.gz KTOARJAYMLDWIV-JTQLQIEISA-N 0 0 376.247 2.501 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110883210 655161025 /nfs/dbraw/zinc/16/10/25/655161025.db2.gz AAUQSMRXYBWILG-RISCZKNCSA-N 0 0 379.869 2.515 10 0 GFAERN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110886308 655161215 /nfs/dbraw/zinc/16/12/15/655161215.db2.gz XNPVMEBTSBMSJI-GXTWGEPZSA-N 0 0 379.507 2.559 10 0 GFAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111078629 655163939 /nfs/dbraw/zinc/16/39/39/655163939.db2.gz HVCAMINGFNIEFE-GXTWGEPZSA-N 0 0 384.263 2.885 10 0 GFAERN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111080711 655164205 /nfs/dbraw/zinc/16/42/05/655164205.db2.gz GPSBCEOJIAYWLC-WBMJQRKESA-N 0 0 384.263 2.885 10 0 GFAERN Cc1ncc(CN2CCN(Cn3nc(C)c(Br)c3C)CC2)s1 ZINC000111164914 655165832 /nfs/dbraw/zinc/16/58/32/655165832.db2.gz JWQWIEJHDUVUEH-UHFFFAOYSA-N 0 0 384.347 2.803 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(Br)ccc3O)CCO2)n1 ZINC000111621857 655174377 /nfs/dbraw/zinc/17/43/77/655174377.db2.gz RNVGFVPVOAGLLZ-AWEZNQCLSA-N 0 0 394.269 2.509 10 0 GFAERN CCc1nc(CCNC(=O)N2CCN(Cc3cnc(C)s3)CC2)cs1 ZINC000111850971 655178371 /nfs/dbraw/zinc/17/83/71/655178371.db2.gz ODOZTFDDRMHMSU-UHFFFAOYSA-N 0 0 379.555 2.540 10 0 GFAERN COCc1c(Br)cccc1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173899459 655184146 /nfs/dbraw/zinc/18/41/46/655184146.db2.gz WQVJSDFRJHSEBW-ZDUSSCGKSA-N 0 0 398.301 2.534 10 0 GFAERN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000173984486 655188200 /nfs/dbraw/zinc/18/82/00/655188200.db2.gz WDKNTXDHLJVYTO-SNVBAGLBSA-N 0 0 394.806 2.976 10 0 GFAERN O=C(NCCCOc1ccc(Cl)cc1Cl)N[C@H]1CCc2ncnn2C1 ZINC000112746747 655197168 /nfs/dbraw/zinc/19/71/68/655197168.db2.gz LZOIBJIBRMVCMM-LBPRGKRZSA-N 0 0 384.267 2.668 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccccc1Br ZINC000113369175 655208745 /nfs/dbraw/zinc/20/87/45/655208745.db2.gz UWTZTSMKPZKDEA-VXGBXAGGSA-N 0 0 391.331 2.975 10 0 GFAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000175356007 655220687 /nfs/dbraw/zinc/22/06/87/655220687.db2.gz LKIBWCUYIWBQRB-BZNIZROVSA-N 0 0 379.869 2.590 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCOc1cccc(Br)c1 ZINC000175705801 655225551 /nfs/dbraw/zinc/22/55/51/655225551.db2.gz AZCWJCRUFITAPC-CQSZACIVSA-N 0 0 394.273 2.562 10 0 GFAERN COc1nc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)ncc1Br ZINC000176238357 655240957 /nfs/dbraw/zinc/24/09/57/655240957.db2.gz QXFNVQFTPPDTRE-JTQLQIEISA-N 0 0 387.278 2.741 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)c3cc(Br)c4c(c3)OCCO4)C2)cn1 ZINC000116118581 655244218 /nfs/dbraw/zinc/24/42/18/655244218.db2.gz FABQBACHHPGPKK-NSHDSACASA-N 0 0 392.253 2.584 10 0 GFAERN C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176453666 655246125 /nfs/dbraw/zinc/24/61/25/655246125.db2.gz VPBNZUZYCWFWMJ-SMDDNHRTSA-N 0 0 378.274 2.806 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)CCc3ccc(Br)cc3)CCO2)[nH]1 ZINC000176504965 655248211 /nfs/dbraw/zinc/24/82/11/655248211.db2.gz RAOFCYNNJIOYEL-CQSZACIVSA-N 0 0 393.285 2.662 10 0 GFAERN C[C@@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000116945273 655257444 /nfs/dbraw/zinc/25/74/44/655257444.db2.gz VWNGCVYQKHOVTM-RKDXNWHRSA-N 0 0 398.287 2.527 10 0 GFAERN CCOCCN1CCN(C(=O)c2ccc(Br)cc2O)C[C@H]1CC ZINC000116977163 655258193 /nfs/dbraw/zinc/25/81/93/655258193.db2.gz ADNKSMZVUMOCRJ-CQSZACIVSA-N 0 0 385.302 2.728 10 0 GFAERN CCOCCN1CCN(C(=O)CCc2cccc(Br)c2)C[C@@H]1C ZINC000117281862 655262863 /nfs/dbraw/zinc/26/28/63/655262863.db2.gz HBPWIHZWZVFSKX-HNNXBMFYSA-N 0 0 383.330 2.951 10 0 GFAERN CC[C@H]1CN(C(=O)c2cc(OC)ccc2Br)CCN1CCOC ZINC000117305632 655263701 /nfs/dbraw/zinc/26/37/01/655263701.db2.gz LQCYLQGYJPDUIF-ZDUSSCGKSA-N 0 0 385.302 2.641 10 0 GFAERN Cc1cnn(CCNC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1 ZINC000118080746 655271631 /nfs/dbraw/zinc/27/16/31/655271631.db2.gz NCQPYSMEBYDSBS-MRXNPFEDSA-N 0 0 393.285 2.737 10 0 GFAERN Cc1cnn(CCNC(=O)C(=O)Nc2c(C)cc(Br)cc2Cl)c1 ZINC000118133189 655272568 /nfs/dbraw/zinc/27/25/68/655272568.db2.gz FNECRVFNNAHIGS-UHFFFAOYSA-N 0 0 399.676 2.671 10 0 GFAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CCc2cccc(Br)c2C1 ZINC000118381467 655275768 /nfs/dbraw/zinc/27/57/68/655275768.db2.gz AWTMDTHRDCQEFV-OKILXGFUSA-N 0 0 375.266 2.716 10 0 GFAERN CCc1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)n(C)n1 ZINC000119244820 655294898 /nfs/dbraw/zinc/29/48/98/655294898.db2.gz JKKPUDUZTFKVAG-SNVBAGLBSA-N 0 0 379.258 2.561 10 0 GFAERN C[C@H](NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)s1 ZINC000119536991 655306051 /nfs/dbraw/zinc/30/60/51/655306051.db2.gz JFZKKMVGOHTIIF-JTQLQIEISA-N 0 0 391.946 2.718 10 0 GFAERN C[C@H](NC(=O)NCCNS(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000119657966 655310671 /nfs/dbraw/zinc/31/06/71/655310671.db2.gz JZVOWHYRCLDMEJ-NSHDSACASA-N 0 0 387.914 2.740 10 0 GFAERN C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1cccnc1Br ZINC000179796031 655317520 /nfs/dbraw/zinc/31/75/20/655317520.db2.gz MMADOZIFMNEYSO-GFCCVEGCSA-N 0 0 392.253 2.504 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(I)ccc1C ZINC000120086095 655327223 /nfs/dbraw/zinc/32/72/23/655327223.db2.gz MIVWABPFKAZQTO-CYBMUJFWSA-N 0 0 396.232 2.764 10 0 GFAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000180732742 655329689 /nfs/dbraw/zinc/32/96/89/655329689.db2.gz RQVFVOKNAMMOPT-UHFFFAOYSA-N 0 0 386.876 2.681 10 0 GFAERN CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2COc3ccccc32)c1 ZINC000120826933 655344788 /nfs/dbraw/zinc/34/47/88/655344788.db2.gz SFXOWGBHXARGCE-CQSZACIVSA-N 0 0 397.294 2.927 10 0 GFAERN C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000185115264 655362557 /nfs/dbraw/zinc/36/25/57/655362557.db2.gz OELCVNBYKVVRIX-YPMHNXCESA-N 0 0 375.282 2.791 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1cncc(Cl)n1)c1cccc(Br)c1 ZINC000189217564 655385464 /nfs/dbraw/zinc/38/54/64/655385464.db2.gz PLPJPWZTMFVCRR-NSHDSACASA-N 0 0 398.644 2.927 10 0 GFAERN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000189409444 655386355 /nfs/dbraw/zinc/38/63/55/655386355.db2.gz JAYWARSTAOZNFG-SKDRFNHKSA-N 0 0 393.259 2.512 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C/c1ccccc1Br ZINC000328612476 655386900 /nfs/dbraw/zinc/38/69/00/655386900.db2.gz OTVOCVFPWZBMFC-QSYFUGGGSA-N 0 0 397.298 2.774 10 0 GFAERN Cc1nn(CCOC(=O)[C@H]2CCCO[C@@H]2C)c2ncc(Br)cc12 ZINC000192245800 655403919 /nfs/dbraw/zinc/40/39/19/655403919.db2.gz QPEGVLAQFBWJEM-YPMHNXCESA-N 0 0 382.258 2.861 10 0 GFAERN Cc1csc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3C)n1 ZINC000223688322 655422343 /nfs/dbraw/zinc/42/23/43/655422343.db2.gz RHDUWRAVGUJGGF-UHFFFAOYSA-N 0 0 379.507 2.574 10 0 GFAERN COCCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2oc(Br)cc21 ZINC000223715429 655422486 /nfs/dbraw/zinc/42/24/86/655422486.db2.gz KDLCQTRGGFZKSB-GHMZBOCLSA-N 0 0 385.258 2.893 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000246968615 655430861 /nfs/dbraw/zinc/43/08/61/655430861.db2.gz GOSXNFXPHYSTTD-BIMULSAOSA-N 0 0 393.292 2.883 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000262878548 655447622 /nfs/dbraw/zinc/44/76/22/655447622.db2.gz FCWQMAZUFRHLEG-GFCCVEGCSA-N 0 0 389.279 2.770 10 0 GFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3nc(Br)c[nH]3)C[C@@H]12 ZINC000893568304 663415981 /nfs/dbraw/zinc/41/59/81/663415981.db2.gz UBXBQNGZEULSIK-IJLUTSLNSA-N 0 0 385.306 2.907 10 0 GFAERN NC(=O)CCSc1ccccc1NC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900553340 663716954 /nfs/dbraw/zinc/71/69/54/663716954.db2.gz MZRVFEMNAMTCET-YHWZYXNKSA-N 0 0 378.519 2.551 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccc(C)c3)CC2)cc1 ZINC000008379443 209136367 /nfs/dbraw/zinc/13/63/67/209136367.db2.gz JHEFJLTZEGZRRM-DHZHZOJOSA-N 0 0 384.501 2.850 10 0 GFAERN COc1cc2c(cc1OC)[C@H]([C@@H]1OC(=O)c3c1ccc1c3OCO1)N(C)CC2 ZINC000014414489 206262384 /nfs/dbraw/zinc/26/23/84/206262384.db2.gz SZDGAZFTAUFFQH-RTBURBONSA-N 0 0 383.400 2.873 10 0 GFAERN COc1ccc(COc2cn(OCc3ccc(OC)cc3)c(CO)cc2=O)cc1 ZINC000034425144 206264183 /nfs/dbraw/zinc/26/41/83/206264183.db2.gz IPJWVNGXIGVLHV-UHFFFAOYSA-N 0 0 397.427 2.566 10 0 GFAERN O=C([O-])c1cn(C2CC2)c2c(F)c(N3C[C@H]4CCC[NH2+][C@@H]4C3)c(F)cc2c1=O ZINC000001888259 206292294 /nfs/dbraw/zinc/29/22/94/206292294.db2.gz WEXQOLCYKFJAJZ-MEBBXXQBSA-N 0 0 389.402 2.501 10 0 GFAERN COc1cc(C2=C(c3c[nH]c4ccccc43)C(=O)NC2=O)cc(OC)c1OC ZINC000013681636 206294337 /nfs/dbraw/zinc/29/43/37/206294337.db2.gz CZGMEOAMQWAJOY-UHFFFAOYSA-N 0 0 378.384 2.761 10 0 GFAERN O=C([O-])c1cn(C2CC2)c2c(F)c(N3C[C@H]4CCC[NH2+][C@H]4C3)c(F)cc2c1=O ZINC000026951448 206303455 /nfs/dbraw/zinc/30/34/55/206303455.db2.gz WEXQOLCYKFJAJZ-BMIGLBTASA-N 0 0 389.402 2.501 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000007802197 206725062 /nfs/dbraw/zinc/72/50/62/206725062.db2.gz CHXLZOFCFWRXFH-UHFFFAOYSA-N 0 0 376.453 2.589 10 0 GFAERN CCOC(=O)c1ccc(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)o1 ZINC000012458526 206901827 /nfs/dbraw/zinc/90/18/27/206901827.db2.gz NNSLIDGJKJLKQP-UHFFFAOYSA-N 0 0 388.811 2.680 10 0 GFAERN CCC(=O)Nc1cc(CNC(=O)c2noc3c2CCCC3)cc(C(=O)OC)c1 ZINC000014990006 207038697 /nfs/dbraw/zinc/03/86/97/207038697.db2.gz WTSZZWKRIFRXGV-UHFFFAOYSA-N 0 0 385.420 2.619 10 0 GFAERN COC(=O)c1cc2n[nH]c(I)c2c(Br)c1 ZINC000014983935 207039478 /nfs/dbraw/zinc/03/94/78/207039478.db2.gz JBOGYRKIDMOMIB-UHFFFAOYSA-N 0 0 380.967 2.717 10 0 GFAERN Cc1ccc(CN2CCN(CC(=O)Nc3cc(C)ccc3C)S2(=O)=O)cc1 ZINC000015725747 207057383 /nfs/dbraw/zinc/05/73/83/207057383.db2.gz AYUMUTBUVZJJFW-UHFFFAOYSA-N 0 0 387.505 2.613 10 0 GFAERN C[C@H](CN1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)C(=O)c1ccccc1 ZINC000019362775 207118742 /nfs/dbraw/zinc/11/87/42/207118742.db2.gz SZDLYOHKAVLHRP-SXSPYAJSSA-N 0 0 378.516 2.651 10 0 GFAERN CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1[nH]c2ccccc2c1C ZINC000019939904 207172368 /nfs/dbraw/zinc/17/23/68/207172368.db2.gz VUCKNPPPRPTXDQ-HXUWFJFHSA-N 0 0 382.508 2.591 10 0 GFAERN O=C(c1ccc(NCCc2ccccn2)nc1)N1CCC[C@H](Cn2ccnc2)C1 ZINC000020325467 207188918 /nfs/dbraw/zinc/18/89/18/207188918.db2.gz UJROMDQAZQJIIP-GOSISDBHSA-N 0 0 390.491 2.880 10 0 GFAERN Cc1nonc1[C@H]1CCCN1C(=O)c1coc(CN2CCc3ccccc3C2)n1 ZINC000020540380 207202490 /nfs/dbraw/zinc/20/24/90/207202490.db2.gz JRUCELXHJHNELM-GOSISDBHSA-N 0 0 393.447 2.902 10 0 GFAERN CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000020598949 207204068 /nfs/dbraw/zinc/20/40/68/207204068.db2.gz WWBSLNFCGWAMDQ-KRWDZBQOSA-N 0 0 391.943 2.675 10 0 GFAERN CCOC(=O)[C@](NCc1ccc(F)cc1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000022022929 207244725 /nfs/dbraw/zinc/24/47/25/207244725.db2.gz NHPVTFBIWFFYKX-KRWDZBQOSA-N 0 0 399.344 2.562 10 0 GFAERN COc1ccc(OC[C@@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022872695 207263627 /nfs/dbraw/zinc/26/36/27/207263627.db2.gz CDPINLNTIJOGAN-IBGZPJMESA-N 0 0 390.911 2.906 10 0 GFAERN CCN1C(SCC(=O)Nc2ccccc2F)=c2cc(C)sc2=N[C@@H]1C ZINC000038805714 207387327 /nfs/dbraw/zinc/38/73/27/207387327.db2.gz VYEGLENEWPWNND-LBPRGKRZSA-N 0 0 377.510 2.934 10 0 GFAERN CCN1C(SCC(=O)Nc2ccc(OC)cc2)=c2cc(C)sc2=N[C@@H]1C ZINC000038805739 207387385 /nfs/dbraw/zinc/38/73/85/207387385.db2.gz QJQKVJZBYSIZFA-ZDUSSCGKSA-N 0 0 389.546 2.804 10 0 GFAERN Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)CN1CCCCC1=O ZINC000015075503 208036837 /nfs/dbraw/zinc/03/68/37/208036837.db2.gz FTDRHCYROZDIMU-MRXNPFEDSA-N 0 0 387.528 2.745 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C/c1ccccc1Cl ZINC000129391839 208102064 /nfs/dbraw/zinc/10/20/64/208102064.db2.gz VCOHPXVVXSQRDB-QSYFUGGGSA-N 0 0 382.873 2.503 10 0 GFAERN COc1ccc(CS(=O)(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000095076399 208151811 /nfs/dbraw/zinc/15/18/11/208151811.db2.gz LJSVBRYMZDWOTK-MRXNPFEDSA-N 0 0 398.525 2.762 10 0 GFAERN COc1ccc(CS(=O)(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000095076374 208152112 /nfs/dbraw/zinc/15/21/12/208152112.db2.gz PTKQRKAFQQXOQY-UHFFFAOYSA-N 0 0 398.525 2.856 10 0 GFAERN COC(=O)c1cccc(NC(=O)N2C[C@H]3C[C@@H]2[C@@H](NC(=O)c2ccccc2)C3)c1 ZINC000096095681 208264788 /nfs/dbraw/zinc/26/47/88/208264788.db2.gz MEACXCZEHGUTPZ-MDASCCDHSA-N 0 0 393.443 2.898 10 0 GFAERN O=C(NCc1cccs1)C1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000096324699 208308473 /nfs/dbraw/zinc/30/84/73/208308473.db2.gz ORTWRPHRGPKBAA-UHFFFAOYSA-N 0 0 395.488 2.702 10 0 GFAERN CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(Cl)cc2)C2(C1)CCCCC2 ZINC000096309588 208304736 /nfs/dbraw/zinc/30/47/36/208304736.db2.gz DSFIMXNEJLFLNY-MRXNPFEDSA-N 0 0 384.929 2.798 10 0 GFAERN COc1ccc(CNC(=O)O[C@H]2COCCN(c3nc4ccccc4o3)C2)cc1 ZINC000096269056 209014227 /nfs/dbraw/zinc/01/42/27/209014227.db2.gz FUJCWTOKGKWTPF-QGZVFWFLSA-N 0 0 397.431 2.968 10 0 GFAERN CCCOc1ccc(C(=O)Nc2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1 ZINC000013364507 221267100 /nfs/dbraw/zinc/26/71/00/221267100.db2.gz VAJOPEHONTVYKP-UHFFFAOYSA-N 0 0 381.432 2.587 10 0 GFAERN COCCN1CCN(c2c(C)c(C)nc3cc(-c4cccc(OC)c4)nn32)CC1 ZINC000061855055 136156133 /nfs/dbraw/zinc/15/61/33/136156133.db2.gz ZQKVYGJZZKGVAI-UHFFFAOYSA-N 0 0 395.507 2.790 10 0 GFAERN O=C(CSc1ccc(N2CCCCC2)nn1)Nc1ccc2c(c1)OCCO2 ZINC000064944553 136158314 /nfs/dbraw/zinc/15/83/14/136158314.db2.gz RLVSUBYQVXIOGZ-UHFFFAOYSA-N 0 0 386.477 2.969 10 0 GFAERN Cc1cccc(OCC(=O)Nc2ccc3c(c2)ncnc3N2CCOCC2)c1 ZINC000065135158 136159579 /nfs/dbraw/zinc/15/95/79/136159579.db2.gz DEPBOHIOLORYDI-UHFFFAOYSA-N 0 0 378.432 2.792 10 0 GFAERN CCN(CCNC(=O)[C@H]1CCc2nc(N3CCCC3)ncc2C1)c1ccccc1 ZINC000065289439 222120006 /nfs/dbraw/zinc/12/00/06/222120006.db2.gz IMQIKIYOCUZRMY-SFHVURJKSA-N 0 0 393.535 2.824 10 0 GFAERN O=C([O-])[C@H]1CCC[N@H+](Cc2nnn(-c3ccccc3F)c2-c2ccncc2)C1 ZINC000057345058 526322453 /nfs/dbraw/zinc/32/24/53/526322453.db2.gz XDLCRPYXMSRQMN-HNNXBMFYSA-N 0 0 381.411 2.765 10 0 GFAERN C[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1Br ZINC000017965101 551113489 /nfs/dbraw/zinc/11/34/89/551113489.db2.gz PGNWMGSHNZGHPC-ZDUSSCGKSA-N 0 0 375.266 2.985 10 0 GFAERN C[C@H](NC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)c1cccs1 ZINC000043998038 551143253 /nfs/dbraw/zinc/14/32/53/551143253.db2.gz LXQDAMQAIKRVCB-SGIREYDYSA-N 0 0 378.494 2.907 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Br ZINC000048808788 551157488 /nfs/dbraw/zinc/15/74/88/551157488.db2.gz XQENVITUNMYKFA-SNVBAGLBSA-N 0 0 391.221 2.994 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(F)cc1I ZINC000050608215 551161019 /nfs/dbraw/zinc/16/10/19/551161019.db2.gz DSETYMZHCVAKPF-LBPRGKRZSA-N 0 0 391.180 2.598 10 0 GFAERN COC(=O)C[C@H](NC(=O)NC[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000054540463 551169224 /nfs/dbraw/zinc/16/92/24/551169224.db2.gz JKJPHFMDALZNSP-KBPBESRZSA-N 0 0 385.258 2.532 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2[nH]nc(C(C)C)c2Br)C1 ZINC000109994548 551202070 /nfs/dbraw/zinc/20/20/70/551202070.db2.gz XCRBKBGJIVQATN-NSHDSACASA-N 0 0 395.305 2.927 10 0 GFAERN O=C(N[C@H]1CCc2ncnn2C1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000112650378 551206693 /nfs/dbraw/zinc/20/66/93/551206693.db2.gz SKLITHDJUORJIN-LBPRGKRZSA-N 0 0 377.235 2.515 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(F)c(Cl)c1 ZINC000116331200 551212328 /nfs/dbraw/zinc/21/23/28/551212328.db2.gz IEIZHURTUOBKGN-SNVBAGLBSA-N 0 0 382.844 2.805 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cc(Br)ccc1F ZINC000119425864 551215993 /nfs/dbraw/zinc/21/59/93/551215993.db2.gz ODAOUFOSAHVHRO-ZDUSSCGKSA-N 0 0 381.249 2.936 10 0 GFAERN O=C(NCCNS(=O)(=O)c1cccs1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000120331189 551219474 /nfs/dbraw/zinc/21/94/74/551219474.db2.gz UAEIDGSWSGAYMY-AWEZNQCLSA-N 0 0 399.925 2.667 10 0 GFAERN C[C@@H]1COC[C@H](C)N1Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000120759721 551221653 /nfs/dbraw/zinc/22/16/53/551221653.db2.gz KYORCMKJLJZMRB-AOOOYVTPSA-N 0 0 375.782 2.944 10 0 GFAERN O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N1CCC[C@H]1CO ZINC000121031616 551225942 /nfs/dbraw/zinc/22/59/42/551225942.db2.gz YOSCSDNNPVXCBV-HNNXBMFYSA-N 0 0 377.238 2.524 10 0 GFAERN C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1nnc2n1CCCC2 ZINC000121704425 551240139 /nfs/dbraw/zinc/24/01/39/551240139.db2.gz CRYRJLOXALYUKA-VIFPVBQESA-N 0 0 375.281 2.961 10 0 GFAERN COc1ccc(Br)c(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000122406832 551297804 /nfs/dbraw/zinc/29/78/04/551297804.db2.gz NEQFRFWHSJDJTD-MRXNPFEDSA-N 0 0 380.286 2.864 10 0 GFAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000127571703 551341905 /nfs/dbraw/zinc/34/19/05/551341905.db2.gz OKICHEBVMMXFIF-VIFPVBQESA-N 0 0 378.889 2.848 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000129399855 551356731 /nfs/dbraw/zinc/35/67/31/551356731.db2.gz BMDRRHFBAUUUOW-GFCCVEGCSA-N 0 0 391.280 2.545 10 0 GFAERN Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000133441026 551382987 /nfs/dbraw/zinc/38/29/87/551382987.db2.gz WEIQIIGHRHAFFT-NSHDSACASA-N 0 0 399.314 2.725 10 0 GFAERN O=C(COc1ccc(Br)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135814859 551389348 /nfs/dbraw/zinc/38/93/48/551389348.db2.gz KLXLKJHAIJIGOP-MRXNPFEDSA-N 0 0 377.238 2.903 10 0 GFAERN C[C@H]1CC[C@H](C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)O1 ZINC000151780167 551420784 /nfs/dbraw/zinc/42/07/84/551420784.db2.gz ZTHGMHVSJJBEGM-BLLLJJGKSA-N 0 0 385.277 2.800 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)c2cc(I)ccc2C)C1 ZINC000151793557 551421317 /nfs/dbraw/zinc/42/13/17/551421317.db2.gz PLGZMCQZBZEAKD-LLVKDONJSA-N 0 0 387.217 2.625 10 0 GFAERN C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1ccc(Cl)c(Cl)c1 ZINC000153271050 551449349 /nfs/dbraw/zinc/44/93/49/551449349.db2.gz ZRLJZGAAAJVFKG-QMMMGPOBSA-N 0 0 378.219 2.626 10 0 GFAERN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000154018151 551465742 /nfs/dbraw/zinc/46/57/42/551465742.db2.gz XABBSVYWEMIOES-YOEHRIQHSA-N 0 0 392.297 2.752 10 0 GFAERN CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@H](O)C(C)C)ccc1Cl ZINC000154424643 551475259 /nfs/dbraw/zinc/47/52/59/551475259.db2.gz QGMVXHAWVYVBPW-AWEZNQCLSA-N 0 0 376.906 2.716 10 0 GFAERN C[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)c1c(Cl)ccc(F)c1Cl ZINC000154449853 551475669 /nfs/dbraw/zinc/47/56/69/551475669.db2.gz LSOBLCSQEVPCNN-LURJTMIESA-N 0 0 381.212 2.864 10 0 GFAERN C[C@H](CNC(=O)N[C@H](C)c1ccccc1Br)CN1CCOCC1 ZINC000155274773 551495966 /nfs/dbraw/zinc/49/59/66/551495966.db2.gz SPZWIDLRTXCQRI-ZIAGYGMSSA-N 0 0 384.318 2.778 10 0 GFAERN Cc1cc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1Br ZINC000155622522 551503847 /nfs/dbraw/zinc/50/38/47/551503847.db2.gz BNHBEMQXGGWCCV-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(Cl)cc1Br ZINC000156285888 551519412 /nfs/dbraw/zinc/51/94/12/551519412.db2.gz CYLDEHSMLIOBMD-NOZJJQNGSA-N 0 0 389.677 2.708 10 0 GFAERN Cc1cccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)c1Br ZINC000156437483 551523058 /nfs/dbraw/zinc/52/30/58/551523058.db2.gz JQOTZYMHZMWBGX-CYBMUJFWSA-N 0 0 384.299 2.807 10 0 GFAERN C[C@@H](CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)N1CCOCC1 ZINC000156514315 551523939 /nfs/dbraw/zinc/52/39/39/551523939.db2.gz IUZIITMHMPFLKP-JTQLQIEISA-N 0 0 395.219 2.918 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C)cc1Br ZINC000157084527 551533046 /nfs/dbraw/zinc/53/30/46/551533046.db2.gz CVXNVLHQEIGUNZ-LBPRGKRZSA-N 0 0 399.314 2.725 10 0 GFAERN CC(C)OCCS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000157258500 551536022 /nfs/dbraw/zinc/53/60/22/551536022.db2.gz WOWAIXHCEJGIGX-LSDHHAIUSA-N 0 0 381.416 2.568 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(C)ccc3Br)CCO2)[nH]1 ZINC000157833993 551543316 /nfs/dbraw/zinc/54/33/16/551543316.db2.gz HOCWVXGFXPOUOA-ZDUSSCGKSA-N 0 0 379.258 2.652 10 0 GFAERN CC[C@@H](CNC(=O)N1CCC[C@@H]1C(=O)NC)Cc1cccc(Br)c1 ZINC000158768068 551556746 /nfs/dbraw/zinc/55/67/46/551556746.db2.gz RWLKVCJNCHXFJW-CZUORRHYSA-N 0 0 396.329 2.938 10 0 GFAERN COC(=O)c1sccc1NC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000161833011 551599670 /nfs/dbraw/zinc/59/96/70/551599670.db2.gz KSLJWUSQSWWNTP-UHFFFAOYSA-N 0 0 380.495 2.649 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000162109088 551603556 /nfs/dbraw/zinc/60/35/56/551603556.db2.gz LCQGYBMNTPAUGM-SNVBAGLBSA-N 0 0 380.293 2.702 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(Br)c(C)n1 ZINC000162608859 551610274 /nfs/dbraw/zinc/61/02/74/551610274.db2.gz ACPVRWFRTVDQCS-NSHDSACASA-N 0 0 379.262 2.963 10 0 GFAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cc(Br)c(C)[nH]c3=O)C2)c1 ZINC000163159471 551617386 /nfs/dbraw/zinc/61/73/86/551617386.db2.gz OPDBGJAVRRMOQM-GFCCVEGCSA-N 0 0 379.258 2.840 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1nnc2n1CCCC2 ZINC000165549430 551629432 /nfs/dbraw/zinc/62/94/32/551629432.db2.gz JRRHZPFKRGATDA-SECBINFHSA-N 0 0 382.251 2.737 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000171049844 551645113 /nfs/dbraw/zinc/64/51/13/551645113.db2.gz FUDRNFPGKMBWKI-APPZFPTMSA-N 0 0 384.255 2.818 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000171070723 551645792 /nfs/dbraw/zinc/64/57/92/551645792.db2.gz XTQBEWFUGWRBGN-HZMBPMFUSA-N 0 0 391.320 2.919 10 0 GFAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000171433482 551655530 /nfs/dbraw/zinc/65/55/30/551655530.db2.gz PNTGEXKZDHYKIA-AWEZNQCLSA-N 0 0 375.372 2.845 10 0 GFAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCS[C@@H](C)C1 ZINC000171469089 551656378 /nfs/dbraw/zinc/65/63/78/551656378.db2.gz IFRHUICFIDGJKK-JTQLQIEISA-N 0 0 387.299 2.750 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(C(=O)Nc3nnc(C(F)(F)F)s3)C2)no1 ZINC000171577987 551658287 /nfs/dbraw/zinc/65/82/87/551658287.db2.gz CPHVFYFPNSCBKW-QMMMGPOBSA-N 0 0 376.364 2.735 10 0 GFAERN O=C(CN1CC[C@H](CNc2ccccn2)C1)Nc1ccc(Br)cn1 ZINC000171643892 551659861 /nfs/dbraw/zinc/65/98/61/551659861.db2.gz QUOOVVBREPBYJL-CYBMUJFWSA-N 0 0 390.285 2.612 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(Br)ccc3Cl)CCO2)[nH]1 ZINC000173087077 551695636 /nfs/dbraw/zinc/69/56/36/551695636.db2.gz FNPQHLBLTIJOBO-LBPRGKRZSA-N 0 0 385.649 2.743 10 0 GFAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N(CCO)CCOCC(F)(F)F ZINC000173659521 552090361 /nfs/dbraw/zinc/09/03/61/552090361.db2.gz DJZOCVDXBKXAPC-WDEREUQCSA-N 0 0 380.329 2.690 10 0 GFAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000173817903 552092760 /nfs/dbraw/zinc/09/27/60/552092760.db2.gz RPWZISVUOYLDIP-AWEZNQCLSA-N 0 0 380.491 2.806 10 0 GFAERN C[C@@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000173845038 552093900 /nfs/dbraw/zinc/09/39/00/552093900.db2.gz VBYQILYORVUMSW-RHSMWYFYSA-N 0 0 395.341 2.906 10 0 GFAERN O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174893004 552111965 /nfs/dbraw/zinc/11/19/65/552111965.db2.gz HWOUTAAOHFXFJA-HOCLYGCPSA-N 0 0 391.265 2.866 10 0 GFAERN Cc1cc(Br)ccc1CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175774677 552129081 /nfs/dbraw/zinc/12/90/81/552129081.db2.gz DCSOZTJUENOQFD-RHSMWYFYSA-N 0 0 396.329 2.620 10 0 GFAERN Cc1noc(Cl)c1CC(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000176545448 552140807 /nfs/dbraw/zinc/14/08/07/552140807.db2.gz CLYVGNPEHJHLBI-CQSZACIVSA-N 0 0 383.901 2.772 10 0 GFAERN CCn1ccnc1C[S@@](=O)Cc1cc2c(cc1Br)OCCO2 ZINC000176823552 552146653 /nfs/dbraw/zinc/14/66/53/552146653.db2.gz WQHAIQCRPJBZAQ-QFIPXVFZSA-N 0 0 385.283 2.886 10 0 GFAERN CN(Cc1cc(Cl)cn1C)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000177164939 552150767 /nfs/dbraw/zinc/15/07/67/552150767.db2.gz KDZZUORLGWLRDJ-OAHLLOKOSA-N 0 0 381.885 2.739 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C)c1I ZINC000177722957 552157666 /nfs/dbraw/zinc/15/76/66/552157666.db2.gz SGGPPXLIZVDJBS-LBPRGKRZSA-N 0 0 396.232 2.764 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)c1cccc(Br)c1 ZINC000177818710 552159302 /nfs/dbraw/zinc/15/93/02/552159302.db2.gz SUPXBECOGUPCOB-LLVKDONJSA-N 0 0 391.269 2.872 10 0 GFAERN O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@H]1COc2ccccc21 ZINC000178032433 552162788 /nfs/dbraw/zinc/16/27/88/552162788.db2.gz NUTZLEHLYCBVAM-GJZGRUSLSA-N 0 0 377.238 2.915 10 0 GFAERN Cc1cc(F)c(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000178123628 552164539 /nfs/dbraw/zinc/16/45/39/552164539.db2.gz LJXQKIBSFPJUQC-LLVKDONJSA-N 0 0 389.445 2.716 10 0 GFAERN Cc1ncc(CN2CCN(C[C@@H](O)COc3ccccc3Cl)CC2)s1 ZINC000178607852 552173246 /nfs/dbraw/zinc/17/32/46/552173246.db2.gz CUPOVGMOZFMSHM-OAHLLOKOSA-N 0 0 381.929 2.662 10 0 GFAERN CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)[NH+](C)C ZINC000179715671 552201016 /nfs/dbraw/zinc/20/10/16/552201016.db2.gz CUQILHODYDBOLL-AWEZNQCLSA-N 0 0 382.511 2.613 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)Cc1csc(Cc2ccccc2)n1 ZINC000180051863 552210888 /nfs/dbraw/zinc/21/08/88/552210888.db2.gz VKFMLGIQMSESST-UHFFFAOYSA-N 0 0 376.507 2.769 10 0 GFAERN O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000180444904 552226023 /nfs/dbraw/zinc/22/60/23/552226023.db2.gz XUZWRMKGJGPRCT-VXJOIVPMSA-N 0 0 385.354 2.698 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1ccc(Br)nc1)CC2 ZINC000181630200 552263028 /nfs/dbraw/zinc/26/30/28/552263028.db2.gz PIKHDGJEGQYHSS-NSHDSACASA-N 0 0 379.262 2.696 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Nc1cccnc1Br)CC2 ZINC000181631919 552263195 /nfs/dbraw/zinc/26/31/95/552263195.db2.gz GEQXVKRLEJXMAR-SNVBAGLBSA-N 0 0 379.262 2.696 10 0 GFAERN CCn1c(C)nnc1CSc1nnnn1-c1ccc(Br)cc1 ZINC000182181382 552277450 /nfs/dbraw/zinc/27/74/50/552277450.db2.gz RZYWDIXUJVYSKH-UHFFFAOYSA-N 0 0 380.275 2.637 10 0 GFAERN CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000183387515 552307805 /nfs/dbraw/zinc/30/78/05/552307805.db2.gz JIMYYJZRQQMTEM-SNVBAGLBSA-N 0 0 385.258 2.725 10 0 GFAERN COC(=O)c1sccc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000184180775 552329108 /nfs/dbraw/zinc/32/91/08/552329108.db2.gz MAXOCNRVMOPHRE-BDAKNGLRSA-N 0 0 378.372 2.711 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C[C@H](O)c3ccc(F)c(Br)c3)CCO2)c1 ZINC000185004628 552350678 /nfs/dbraw/zinc/35/06/78/552350678.db2.gz AHALSUMBORCCKV-YOEHRIQHSA-N 0 0 398.276 2.528 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2Cl)C12CCOCC2 ZINC000185144672 552355248 /nfs/dbraw/zinc/35/52/48/552355248.db2.gz ZOAXIKLPNIVUHY-KGLIPLIRSA-N 0 0 377.865 2.732 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cnc(Cl)c(Cl)c2)C12CCOCC2 ZINC000185154699 552355669 /nfs/dbraw/zinc/35/56/69/552355669.db2.gz SKIBFBDNKOZBPN-CHWSQXEVSA-N 0 0 395.308 2.641 10 0 GFAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000185151725 552355967 /nfs/dbraw/zinc/35/59/67/552355967.db2.gz ITTDSNNFEHXGQH-VHSXEESVSA-N 0 0 393.292 2.549 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(Br)ccc2O)C12CCOCC2 ZINC000187150976 552407738 /nfs/dbraw/zinc/40/77/38/552407738.db2.gz YVGDICAPGSNANK-HUUCEWRRSA-N 0 0 384.270 2.859 10 0 GFAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000187176103 552408556 /nfs/dbraw/zinc/40/85/56/552408556.db2.gz OHIIIZNJVROHPI-HNNXBMFYSA-N 0 0 399.285 2.675 10 0 GFAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000188088121 552434507 /nfs/dbraw/zinc/43/45/07/552434507.db2.gz DSHMZWLLUMRLPQ-OAHLLOKOSA-N 0 0 391.269 2.793 10 0 GFAERN COc1c(Br)c(C)sc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188506639 552446722 /nfs/dbraw/zinc/44/67/22/552446722.db2.gz VDDACPVUGFNTDR-UHFFFAOYSA-N 0 0 387.299 2.568 10 0 GFAERN O=C(c1cc(Br)ncc1Cl)N1CCC[C@@H](Cn2cncn2)C1 ZINC000188880433 552457372 /nfs/dbraw/zinc/45/73/72/552457372.db2.gz XRVJUJVAKCFYPH-SNVBAGLBSA-N 0 0 384.665 2.641 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Nc3cccc(Br)n3)CCO2)cn1 ZINC000190340031 552493367 /nfs/dbraw/zinc/49/33/67/552493367.db2.gz GAIBIEVASXLQDV-LBPRGKRZSA-N 0 0 380.246 2.666 10 0 GFAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000190758155 552507968 /nfs/dbraw/zinc/50/79/68/552507968.db2.gz CRROPJMUKLTVFW-FZMZJTMJSA-N 0 0 379.258 2.843 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3scc(C)c3Br)CCO2)c1 ZINC000190931374 552513931 /nfs/dbraw/zinc/51/39/31/552513931.db2.gz CIRXLMWEMNYGSH-GFCCVEGCSA-N 0 0 384.299 2.865 10 0 GFAERN O[C@@H](COc1ccccc1)CN1CCN(Cc2ccc(Br)o2)CC1 ZINC000191343137 552525155 /nfs/dbraw/zinc/52/51/55/552525155.db2.gz VKFUEQOYIOPSGZ-OAHLLOKOSA-N 0 0 395.297 2.600 10 0 GFAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000191932086 552543420 /nfs/dbraw/zinc/54/34/20/552543420.db2.gz CXLBVGIREGTWEA-GXSJLCMTSA-N 0 0 376.272 2.606 10 0 GFAERN COC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)c1Br ZINC000192424948 552563053 /nfs/dbraw/zinc/56/30/53/552563053.db2.gz GIWIGSVXVFJBMQ-CMPLNLGQSA-N 0 0 385.258 2.908 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)c2ncc(Br)s2)C12CCOCC2 ZINC000192498939 552565862 /nfs/dbraw/zinc/56/58/62/552565862.db2.gz GYOIYBIPRLCUIQ-UWVGGRQHSA-N 0 0 375.288 2.610 10 0 GFAERN CCCCOC[C@H](O)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000193377022 552991690 /nfs/dbraw/zinc/99/16/90/552991690.db2.gz DVLUHQXBVZGTDZ-QAPCUYQASA-N 0 0 398.297 2.643 10 0 GFAERN CN(Cc1nccn1C(F)F)C[C@H](O)COc1cccc(Br)c1 ZINC000193798632 553003837 /nfs/dbraw/zinc/00/38/37/553003837.db2.gz HBCAEBQYNLEQIF-LBPRGKRZSA-N 0 0 390.228 2.912 10 0 GFAERN Cn1c(C[S@](=O)Cc2cc3c(cc2Br)OCO3)nnc1C1CC1 ZINC000194127881 553012088 /nfs/dbraw/zinc/01/20/88/553012088.db2.gz CHOPZRUMUNHRCI-HSZRJFAPSA-N 0 0 398.282 2.633 10 0 GFAERN O=C(NC[C@H]1CCC[C@H]1O)c1ccc(I)c(Cl)c1 ZINC000226812122 553062093 /nfs/dbraw/zinc/06/20/93/553062093.db2.gz KGJMAXKCAKVNLE-BXKDBHETSA-N 0 0 379.625 2.835 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000246316317 553105801 /nfs/dbraw/zinc/10/58/01/553105801.db2.gz ZQDRQGKSCSUPQQ-BXUZGUMPSA-N 0 0 376.881 2.861 10 0 GFAERN O=S(=O)(c1cc(F)ccc1Br)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246281494 553105853 /nfs/dbraw/zinc/10/58/53/553105853.db2.gz NRBKERBIZHWILH-CHWSQXEVSA-N 0 0 378.263 2.920 10 0 GFAERN CCc1nnc(NC(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)s1 ZINC000246318468 553106366 /nfs/dbraw/zinc/10/63/66/553106366.db2.gz AIKBEMIRQPQXKB-RYUDHWBXSA-N 0 0 381.527 2.746 10 0 GFAERN O=S(=O)(c1cccc(F)c1F)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246898978 553115271 /nfs/dbraw/zinc/11/52/71/553115271.db2.gz XQDBDOLBZHOXAT-HZMBPMFUSA-N 0 0 375.343 2.740 10 0 GFAERN CCc1nc(CC(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)cs1 ZINC000246946029 553115822 /nfs/dbraw/zinc/11/58/22/553115822.db2.gz OZOGGKDWHWGXHL-DZGCQCFKSA-N 0 0 379.551 2.888 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)c2ccc(Br)s2)C[C@@H]1C ZINC000247043736 553118047 /nfs/dbraw/zinc/11/80/47/553118047.db2.gz YBOWZPJICVUQOQ-SDDRHHMPSA-N 0 0 375.332 2.528 10 0 GFAERN C[C@@H](C(=O)Nc1ccccc1Br)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247807453 553125803 /nfs/dbraw/zinc/12/58/03/553125803.db2.gz TUXWWLSTAVUIIV-UONOGXRCSA-N 0 0 392.301 2.780 10 0 GFAERN COC[C@H](O)CCNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000248500137 553130551 /nfs/dbraw/zinc/13/05/51/553130551.db2.gz NDXCTLILNGFEFQ-INWMFGNUSA-N 0 0 376.280 2.975 10 0 GFAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000248868202 553136256 /nfs/dbraw/zinc/13/62/56/553136256.db2.gz ITTDSNNFEHXGQH-UWVGGRQHSA-N 0 0 393.292 2.549 10 0 GFAERN O=S(=O)(CCN1CCO[C@H]2CCCC[C@H]21)c1cccc(Br)c1 ZINC000252652499 553150466 /nfs/dbraw/zinc/15/04/66/553150466.db2.gz QRVXLVTZPZEMQO-CVEARBPZSA-N 0 0 388.327 2.866 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(Cl)cc1 ZINC000253610936 553152211 /nfs/dbraw/zinc/15/22/11/553152211.db2.gz ZKACHKMBRYQCFQ-VIFPVBQESA-N 0 0 379.825 2.734 10 0 GFAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000262054088 553165312 /nfs/dbraw/zinc/16/53/12/553165312.db2.gz ZZVFTUULGQAMMO-YGRLFVJLSA-N 0 0 396.310 2.812 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2cc(Br)ccc2F)C1 ZINC000262711075 553174221 /nfs/dbraw/zinc/17/42/21/553174221.db2.gz LRFYDOAHZOUNIX-UHFFFAOYSA-N 0 0 399.260 2.646 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(Br)cs2)CC1 ZINC000262936717 553178796 /nfs/dbraw/zinc/17/87/96/553178796.db2.gz MWTNEFHZLUHVFO-NSHDSACASA-N 0 0 375.288 2.522 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2sccc2Br)CC1 ZINC000262984448 553180118 /nfs/dbraw/zinc/18/01/18/553180118.db2.gz UNMNAXPWKKCQHB-JTQLQIEISA-N 0 0 375.288 2.522 10 0 GFAERN Cn1nc(Br)c2c1ncnc2N[C@H](CO)c1ccc(Cl)cc1 ZINC000301953704 563416972 /nfs/dbraw/zinc/41/69/72/563416972.db2.gz IHYIEWXBVTWEOS-SNVBAGLBSA-N 0 0 382.649 2.925 10 0 GFAERN CC(C)n1cc(C[C@@H]2NC(=O)N(Cc3ccc(Br)s3)C2=O)nn1 ZINC000328614320 563461738 /nfs/dbraw/zinc/46/17/38/563461738.db2.gz VPLKTQDYHSZGCA-NSHDSACASA-N 0 0 398.286 2.551 10 0 GFAERN C[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000384879087 563518112 /nfs/dbraw/zinc/51/81/12/563518112.db2.gz QIOYQTNZDZLBJA-UFBFGSQYSA-N 0 0 379.625 2.930 10 0 GFAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(Br)sc1Br ZINC000392933946 563527856 /nfs/dbraw/zinc/52/78/56/563527856.db2.gz QLRXUKFITDKKQC-FSPLSTOPSA-N 0 0 396.104 2.670 10 0 GFAERN CN1CCN(C(=O)c2csc(Br)c2)C[C@H]1c1nc(C2CC2)no1 ZINC000367475575 563845894 /nfs/dbraw/zinc/84/58/94/563845894.db2.gz CUCSLOYGDWNBGI-NSHDSACASA-N 0 0 397.298 2.900 10 0 GFAERN O=c1c2nnc(C3CCOCC3)n2cc(Br)n1CC1CCCC1 ZINC000616581106 565205151 /nfs/dbraw/zinc/20/51/51/565205151.db2.gz UDLAXUPVISWZSI-UHFFFAOYSA-N 0 0 381.274 2.738 10 0 GFAERN O=C(NCc1ccc(F)cc1)c1cc2n(n1)CCN(Cc1ccccc1)C2=O ZINC000034810851 570333923 /nfs/dbraw/zinc/33/39/23/570333923.db2.gz HWYLHCZVOIYTKZ-UHFFFAOYSA-N 0 0 378.407 2.608 10 0 GFAERN CCCCOc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1 ZINC000224202620 570436862 /nfs/dbraw/zinc/43/68/62/570436862.db2.gz BMGLRLMRWBFSKV-UHFFFAOYSA-N 0 0 390.509 2.734 10 0 GFAERN CC[C@@H](C(=O)NC1CC1)n1c2ccccc2c(=O)n(-c2ccc(F)cc2)c1=O ZINC000006766417 570577178 /nfs/dbraw/zinc/57/71/78/570577178.db2.gz WFSJZLVLWJIZCM-KRWDZBQOSA-N 0 0 381.407 2.521 10 0 GFAERN CC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000036250471 570586006 /nfs/dbraw/zinc/58/60/06/570586006.db2.gz GLJYYDAABHATOL-IBGZPJMESA-N 0 0 377.573 2.994 10 0 GFAERN Cn1nc(C(=O)N2C[C@H]3C[C@@H]2[C@@H](NC(=O)c2cccs2)C3)c2ccccc21 ZINC000097088333 570664384 /nfs/dbraw/zinc/66/43/84/570664384.db2.gz WPXXJEOCEAAHLI-IVMMDQJWSA-N 0 0 380.473 2.668 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)Nc1ccn(C)n1)CC2 ZINC000275520150 570695114 /nfs/dbraw/zinc/69/51/14/570695114.db2.gz DASWSGGCPSDSGS-INIZCTEOSA-N 0 0 387.509 2.917 10 0 GFAERN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CC[C@H](c2ccccc2)C1 ZINC000007006935 570739532 /nfs/dbraw/zinc/73/95/32/570739532.db2.gz PUDUFRQLDOKGCY-KRWDZBQOSA-N 0 0 390.505 2.997 10 0 GFAERN COc1cc(OC)cc(C(=O)N2C[C@H]3C[C@@H]2[C@@H](NC(=O)c2ccccc2)C3)c1 ZINC000065266565 570769495 /nfs/dbraw/zinc/76/94/95/570769495.db2.gz YXSPRFFLAYUSEP-VOBQZIQPSA-N 0 0 380.444 2.737 10 0 GFAERN O=C(CN1c2cc(F)ccc2C(=O)N2CCC[C@@H]2C1=O)Nc1cccc(F)c1 ZINC000065306963 570790379 /nfs/dbraw/zinc/79/03/79/570790379.db2.gz BKOCKNXRVXEKIK-MRXNPFEDSA-N 0 0 385.370 2.555 10 0 GFAERN COC(=O)c1ccc(CN2CCN(c3cc(OC)ccc3OC)C(=O)[C@@H]2C)cc1 ZINC000037285245 570870146 /nfs/dbraw/zinc/87/01/46/570870146.db2.gz HLRVJTRNRYHCFD-HNNXBMFYSA-N 0 0 398.459 2.728 10 0 GFAERN CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC2(CCCC(=O)N2)C1 ZINC000498051083 570909649 /nfs/dbraw/zinc/90/96/49/570909649.db2.gz NDYQOJJWTIXXAM-UHFFFAOYSA-N 0 0 383.489 2.513 10 0 GFAERN CC1=C[C@]23C(=O)[C@@H](C=C4COC(C)(C)O[C@H]4[C@@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000253387921 570952434 /nfs/dbraw/zinc/95/24/34/570952434.db2.gz ONMDPPVVEFWDOD-QGGFQLKMSA-N 0 0 388.504 2.614 10 0 GFAERN COc1ccccc1Nc1nc(C(=O)NCC(=O)NCc2ccco2)cs1 ZINC000037437845 571012986 /nfs/dbraw/zinc/01/29/86/571012986.db2.gz YVPHZKQNYDUMBZ-UHFFFAOYSA-N 0 0 386.433 2.535 10 0 GFAERN C[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000017851865 654522099 /nfs/dbraw/zinc/52/20/99/654522099.db2.gz VHOGQWQTDVQYDN-VXGBXAGGSA-N 0 0 382.869 2.632 10 0 GFAERN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1Cl ZINC000017852360 654522115 /nfs/dbraw/zinc/52/21/15/654522115.db2.gz JKKBIGKCDQVDMY-LBPRGKRZSA-N 0 0 382.869 2.552 10 0 GFAERN C[C@@H](N[C@H](C)c1ccccc1Br)C(=O)NC(=O)NCC(F)(F)F ZINC000025240155 654547538 /nfs/dbraw/zinc/54/75/38/654547538.db2.gz YYLGFNTWUPJPBT-RKDXNWHRSA-N 0 0 396.207 2.876 10 0 GFAERN O=S(=O)(c1cc(Br)cnc1Cl)N1CCO[C@H]2CCCC[C@@H]21 ZINC000041066422 654622356 /nfs/dbraw/zinc/62/23/56/654622356.db2.gz TZZJXRGFGRSIFT-QWRGUYRKSA-N 0 0 395.706 2.830 10 0 GFAERN O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1COc2ccccc21 ZINC000123222300 654753488 /nfs/dbraw/zinc/75/34/88/654753488.db2.gz OUUOTSIULLCDEY-CYBMUJFWSA-N 0 0 379.185 2.777 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)Cc2nc(C)sc2C)N2CCOCC2)s1 ZINC000123703076 654761085 /nfs/dbraw/zinc/76/10/85/654761085.db2.gz RJCSHVYSBVYPAF-MRXNPFEDSA-N 0 0 379.551 2.862 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3Cl)C2)n1 ZINC000127532869 654831603 /nfs/dbraw/zinc/83/16/03/654831603.db2.gz YWKHGCAGVYBYSW-HNNXBMFYSA-N 0 0 382.917 2.958 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)c1c(F)cccc1I ZINC000128650218 654849833 /nfs/dbraw/zinc/84/98/33/654849833.db2.gz PGVMFPIKEFSAMW-BXKDBHETSA-N 0 0 377.197 2.711 10 0 GFAERN COC(=O)N[C@@H](C(=O)NCC1(c2ccccc2Br)CC1)C(C)C ZINC000129549268 654866365 /nfs/dbraw/zinc/86/63/65/654866365.db2.gz VGWBRTPHZIYGQC-CQSZACIVSA-N 0 0 383.286 2.978 10 0 GFAERN COCCN1C[C@@H](C(=O)O[C@H](C)c2ccc(Br)cc2F)CC1=O ZINC000131115026 654896825 /nfs/dbraw/zinc/89/68/25/654896825.db2.gz FHWBHFFCIAGKPT-MNOVXSKESA-N 0 0 388.233 2.687 10 0 GFAERN COC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000066834845 654916878 /nfs/dbraw/zinc/91/68/78/654916878.db2.gz XSKXNNGKZIOOTB-SNVBAGLBSA-N 0 0 376.787 2.765 10 0 GFAERN CC[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000070709451 654993854 /nfs/dbraw/zinc/99/38/54/654993854.db2.gz FZPJDJVLVAVYJL-BBRMVZONSA-N 0 0 378.519 2.778 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccc(Br)c(F)c1 ZINC000135291335 655013292 /nfs/dbraw/zinc/01/32/92/655013292.db2.gz DFKUAEQQYVHBEO-LBPRGKRZSA-N 0 0 379.233 2.777 10 0 GFAERN Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000135418792 655016179 /nfs/dbraw/zinc/01/61/79/655016179.db2.gz CUAFMYDBIHJOTN-LBPRGKRZSA-N 0 0 386.470 2.545 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1cccnc1Br ZINC000136019580 655026819 /nfs/dbraw/zinc/02/68/19/655026819.db2.gz QVAZZDVBFGKQOW-NSHDSACASA-N 0 0 384.274 2.973 10 0 GFAERN O=C(c1cnn2cc(Br)cnc12)N1CCCC[C@H]1c1cn[nH]c1 ZINC000094148968 655028287 /nfs/dbraw/zinc/02/82/87/655028287.db2.gz GNPFKEDTDANWFS-ZDUSSCGKSA-N 0 0 375.230 2.582 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)NCc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000136239903 655029099 /nfs/dbraw/zinc/02/90/99/655029099.db2.gz AYGKSCWSSFLZDW-ZDUSSCGKSA-N 0 0 384.267 2.957 10 0 GFAERN COCC[C@H](C)NC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC000101991933 655049440 /nfs/dbraw/zinc/04/94/40/655049440.db2.gz NIKXDLNONWPNLD-SMDDNHRTSA-N 0 0 387.274 2.778 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@@H](C)C1CCOCC1 ZINC000151593706 655052911 /nfs/dbraw/zinc/05/29/11/655052911.db2.gz QICPBRQJWFOGEX-ZJUUUORDSA-N 0 0 390.299 2.987 10 0 GFAERN C[C@@H](NC(=O)CNC(=O)OCC(F)(F)F)c1ccccc1Br ZINC000104017061 655078045 /nfs/dbraw/zinc/07/80/45/655078045.db2.gz ORJRAJTVYAPVBR-MRVPVSSYSA-N 0 0 383.164 2.915 10 0 GFAERN Cc1csc([C@H]2CN([C@H](C(N)=O)c3ccc(Br)cc3)CCO2)n1 ZINC000104681356 655083820 /nfs/dbraw/zinc/08/38/20/655083820.db2.gz XMAHUIDNXOYMNA-KGLIPLIRSA-N 0 0 396.310 2.814 10 0 GFAERN Cc1ncc(CN2CCN(CC(=O)N(C)Cc3ccc(Cl)s3)CC2)s1 ZINC000106090821 655102331 /nfs/dbraw/zinc/10/23/31/655102331.db2.gz HRVMFKRSRPPEKI-UHFFFAOYSA-N 0 0 398.985 2.943 10 0 GFAERN Brc1ccc(-c2ccn(CN3CC[C@@H](N4CCOCC4)C3)n2)cc1 ZINC000161393138 655126954 /nfs/dbraw/zinc/12/69/54/655126954.db2.gz AGIMIIAVFCDMET-QGZVFWFLSA-N 0 0 391.313 2.677 10 0 GFAERN CN(c1cccnn1)C1CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000109641872 655149642 /nfs/dbraw/zinc/14/96/42/655149642.db2.gz JWDILXKDCINILF-UHFFFAOYSA-N 0 0 391.269 2.686 10 0 GFAERN CSc1nc(C)c(CCC(=O)N2CCO[C@@H](c3nccs3)C2)c(C)n1 ZINC000110876483 655160960 /nfs/dbraw/zinc/16/09/60/655160960.db2.gz FCEGKBGEJBWIAD-CQSZACIVSA-N 0 0 378.523 2.805 10 0 GFAERN O=C(CCCc1ccc(Br)s1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111076546 655163967 /nfs/dbraw/zinc/16/39/67/655163967.db2.gz CUDBDCUVAWTKEO-CYBMUJFWSA-N 0 0 398.326 2.957 10 0 GFAERN CCc1nsc(N2CCCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 ZINC000173259219 655165791 /nfs/dbraw/zinc/16/57/91/655165791.db2.gz ANIUCOXHDGMGJH-NTEUORMPSA-N 0 0 378.523 2.613 10 0 GFAERN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000111343392 655169145 /nfs/dbraw/zinc/16/91/45/655169145.db2.gz ZWCGUAWILREFDO-GFCCVEGCSA-N 0 0 378.397 2.924 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000111344135 655169340 /nfs/dbraw/zinc/16/93/40/655169340.db2.gz FTTMDDBDXXQGES-LBPRGKRZSA-N 0 0 389.296 2.668 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000111639674 655174656 /nfs/dbraw/zinc/17/46/56/655174656.db2.gz ZAMWINIENXGPSL-ZIAGYGMSSA-N 0 0 377.268 2.914 10 0 GFAERN CC[C@@H](NC(=O)N1CCC[C@H](NC(C)=O)C1)c1nc(C(F)(F)F)cs1 ZINC000173732134 655178407 /nfs/dbraw/zinc/17/84/07/655178407.db2.gz ZERCWZLAVLJJSS-WDEREUQCSA-N 0 0 378.420 2.923 10 0 GFAERN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000173793351 655181483 /nfs/dbraw/zinc/18/14/83/655181483.db2.gz XYFJPFMEUYMPGP-ZBFHGGJFSA-N 0 0 381.929 2.993 10 0 GFAERN CC(C)(C)OC(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000173928480 655186201 /nfs/dbraw/zinc/18/62/01/655186201.db2.gz OKFAZWLBLOEDNG-LLVKDONJSA-N 0 0 376.425 2.643 10 0 GFAERN C[C@@H](NC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccc(Cl)s1 ZINC000173968574 655187544 /nfs/dbraw/zinc/18/75/44/655187544.db2.gz KPOFJUGKLUHYBT-SECBINFHSA-N 0 0 376.891 2.525 10 0 GFAERN CSCc1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1F ZINC000174009789 655189945 /nfs/dbraw/zinc/18/99/45/655189945.db2.gz KFRIHXQCTQYKJX-LLVKDONJSA-N 0 0 382.482 2.827 10 0 GFAERN COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)ccc1Br ZINC000174606542 655205243 /nfs/dbraw/zinc/20/52/43/655205243.db2.gz NFQSLVWAMYMGIB-AWEZNQCLSA-N 0 0 392.253 2.676 10 0 GFAERN C[C@@H](OC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@H]1CCOC1 ZINC000175274835 655217512 /nfs/dbraw/zinc/21/75/12/655217512.db2.gz IGUHIUQEDKQFLZ-MNOVXSKESA-N 0 0 388.233 2.676 10 0 GFAERN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000175314561 655220130 /nfs/dbraw/zinc/22/01/30/655220130.db2.gz DTVHRFFPJOKPBP-RISCZKNCSA-N 0 0 389.279 2.514 10 0 GFAERN Cc1ccc([C@H](CNC(=O)N2CCSC(C)(C)C2)N2CCOCC2)s1 ZINC000175838801 655227883 /nfs/dbraw/zinc/22/78/83/655227883.db2.gz SWLMIUIKKNRPNS-HNNXBMFYSA-N 0 0 383.583 2.967 10 0 GFAERN COc1ncc(C)cc1NC(=O)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000175836319 655227925 /nfs/dbraw/zinc/22/79/25/655227925.db2.gz NCWYORJGZWWVDY-NSHDSACASA-N 0 0 392.253 2.977 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cc(F)ccc1Br)CC2 ZINC000114938426 655230490 /nfs/dbraw/zinc/23/04/90/655230490.db2.gz IDIFXLJTEMYUQX-GFCCVEGCSA-N 0 0 396.264 2.556 10 0 GFAERN C[C@@H](CNC(=O)NCC1(c2cccc(Br)c2)CC1)N1CCOCC1 ZINC000115653759 655240964 /nfs/dbraw/zinc/24/09/64/655240964.db2.gz BGRBLCUHBRQNNH-AWEZNQCLSA-N 0 0 396.329 2.501 10 0 GFAERN CCOCCN1CCN(C(=O)CCc2ccc(Br)cc2)C[C@@H]1C ZINC000176418721 655244906 /nfs/dbraw/zinc/24/49/06/655244906.db2.gz AGRUSXACBRYSPK-HNNXBMFYSA-N 0 0 383.330 2.951 10 0 GFAERN C[C@@H](CNC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1)N1CCOCC1 ZINC000116528985 655249065 /nfs/dbraw/zinc/24/90/65/655249065.db2.gz UJMKRVMSCGPTIA-WMLDXEAASA-N 0 0 383.945 2.860 10 0 GFAERN C[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000176530951 655249790 /nfs/dbraw/zinc/24/97/90/655249790.db2.gz PCKGCDQLCZOVDE-LLVKDONJSA-N 0 0 379.400 2.977 10 0 GFAERN CNc1snc(C)c1C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000176593337 655250364 /nfs/dbraw/zinc/25/03/64/655250364.db2.gz PYQCBNXMCIZULW-YPMHNXCESA-N 0 0 380.539 2.747 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3c(F)cccc3Br)CCO2)n1 ZINC000176602094 655250719 /nfs/dbraw/zinc/25/07/19/655250719.db2.gz KIKUPGUCTSOZNQ-ZDUSSCGKSA-N 0 0 396.260 2.943 10 0 GFAERN COCCN1CCN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@@H]1C ZINC000117290573 655263124 /nfs/dbraw/zinc/26/31/24/655263124.db2.gz APZHROSCTYYUKS-LBPRGKRZSA-N 0 0 380.286 2.723 10 0 GFAERN COCCN1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@@H]1C ZINC000117286033 655263134 /nfs/dbraw/zinc/26/31/34/655263134.db2.gz VJWFPTVQKCRRNB-NSHDSACASA-N 0 0 375.694 2.895 10 0 GFAERN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000176954826 655263732 /nfs/dbraw/zinc/26/37/32/655263732.db2.gz IPDGBVMVMBVCQO-RYUDHWBXSA-N 0 0 399.285 2.811 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(C)cc3Br)CCO2)[nH]1 ZINC000176955658 655263821 /nfs/dbraw/zinc/26/38/21/655263821.db2.gz BUXYVFPKRTVTAI-CYBMUJFWSA-N 0 0 380.246 2.789 10 0 GFAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000177581717 655282463 /nfs/dbraw/zinc/28/24/63/655282463.db2.gz QXTBDGWYSYQHDG-MNOVXSKESA-N 0 0 382.404 2.689 10 0 GFAERN COCc1c(Br)cccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000118815454 655282582 /nfs/dbraw/zinc/28/25/82/655282582.db2.gz UYSDFJRPJDXLMT-CQSZACIVSA-N 0 0 384.274 2.680 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cccc(Br)c1 ZINC000177587269 655282890 /nfs/dbraw/zinc/28/28/90/655282890.db2.gz OTQDEFMWTIHONK-SNVBAGLBSA-N 0 0 378.288 2.800 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000177641148 655284578 /nfs/dbraw/zinc/28/45/78/655284578.db2.gz IWCPDCDJGMOWSL-JTQLQIEISA-N 0 0 397.269 2.598 10 0 GFAERN C[C@@H](CNC(=O)c1cc(Br)cc(C(F)(F)F)c1)N1CCOCC1 ZINC000119044550 655287689 /nfs/dbraw/zinc/28/76/89/655287689.db2.gz RUOGCHFMSHTBPX-JTQLQIEISA-N 0 0 395.219 2.918 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177765694 655287999 /nfs/dbraw/zinc/28/79/99/655287999.db2.gz QCGZNNRUHHRTBU-XJKSGUPXSA-N 0 0 382.302 2.942 10 0 GFAERN CCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1=O ZINC000119232418 655294205 /nfs/dbraw/zinc/29/42/05/655294205.db2.gz CXPZJWHYPQEERI-JTQLQIEISA-N 0 0 382.247 2.991 10 0 GFAERN CCc1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)n(C)n1 ZINC000119244677 655294938 /nfs/dbraw/zinc/29/49/38/655294938.db2.gz JKKPUDUZTFKVAG-JTQLQIEISA-N 0 0 379.258 2.561 10 0 GFAERN C[C@H](NC(=O)NCc1sccc1Br)c1nnc2n1CCCC2 ZINC000178635621 655306480 /nfs/dbraw/zinc/30/64/80/655306480.db2.gz CFIYWRQIIUZPHH-VIFPVBQESA-N 0 0 384.303 2.999 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cc(F)ccc1Br ZINC000119568907 655307377 /nfs/dbraw/zinc/30/73/77/655307377.db2.gz JOHJRDFPUMJYNZ-CYBMUJFWSA-N 0 0 397.248 2.520 10 0 GFAERN CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000119567024 655307381 /nfs/dbraw/zinc/30/73/81/655307381.db2.gz XEZNSBOTHHWXNI-QGZVFWFLSA-N 0 0 383.466 2.585 10 0 GFAERN CCO[C@H]1C[C@H](OC(=O)Cn2cc(Br)ccc2=O)C12CCCC2 ZINC000119711662 655312042 /nfs/dbraw/zinc/31/20/42/655312042.db2.gz YCJLRYIGPGYBDD-KBPBESRZSA-N 0 0 384.270 2.892 10 0 GFAERN COC(=O)[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000120117916 655328243 /nfs/dbraw/zinc/32/82/43/655328243.db2.gz YCOHBJQTRNGBDV-OAHLLOKOSA-N 0 0 398.278 2.783 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(F)c(Br)c1 ZINC000182475962 655344685 /nfs/dbraw/zinc/34/46/85/655344685.db2.gz QFVHTRLLUVERIY-ZDUSSCGKSA-N 0 0 394.262 2.698 10 0 GFAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Oc1cccc(Cl)c1F ZINC000185967771 655367039 /nfs/dbraw/zinc/36/70/39/655367039.db2.gz UFBFWAAIXIOLCC-SECBINFHSA-N 0 0 382.800 2.512 10 0 GFAERN Cc1cc(S(=O)(=O)N(C)C(=O)[C@H]2CCCO[C@H]2C)ccc1Br ZINC000192228029 655403797 /nfs/dbraw/zinc/40/37/97/655403797.db2.gz PDUHGFZCWXBSKL-AAEUAGOBSA-N 0 0 390.299 2.720 10 0 GFAERN Cc1ccc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1Cl ZINC000193094353 655408224 /nfs/dbraw/zinc/40/82/24/655408224.db2.gz YDCXKVWLRZKUAP-LLVKDONJSA-N 0 0 377.853 2.714 10 0 GFAERN O=C(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCO[C@@H]2CCCC[C@H]21 ZINC000193593741 655411204 /nfs/dbraw/zinc/41/12/04/655411204.db2.gz APCKKXBTOQKFIV-CHWSQXEVSA-N 0 0 377.384 2.764 10 0 GFAERN CCc1nnc(C[S@@](=O)Cc2c(C)nn(-c3ccccc3)c2Cl)n1C ZINC000194159279 655414372 /nfs/dbraw/zinc/41/43/72/655414372.db2.gz RZJIPEQGTBPRDS-VWLOTQADSA-N 0 0 377.901 2.974 10 0 GFAERN C[C@H](NS(=O)(=O)/C=C\c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000255634500 655439986 /nfs/dbraw/zinc/43/99/86/655439986.db2.gz UKMVGFNFHPVRTM-HHQWOOOKSA-N 0 0 383.466 2.881 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000263021853 655448586 /nfs/dbraw/zinc/44/85/86/655448586.db2.gz SSISTLWTSFNKEU-CYBMUJFWSA-N 0 0 395.308 2.553 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(OCc2ccccc2)cc1 ZINC000328608819 206232447 /nfs/dbraw/zinc/23/24/47/206232447.db2.gz BJARAELRQNYQBN-SFHVURJKSA-N 0 0 384.461 2.671 10 0 GFAERN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc2c1OCO2 ZINC000004098751 206260777 /nfs/dbraw/zinc/26/07/77/206260777.db2.gz GROYKMASYUMFER-RQUSPXKASA-N 0 0 382.368 2.630 10 0 in-vitro GFAERN CCc1nn(CC(=O)NCc2cccc(OC)c2)c(=O)c2cc3ccccc3n21 ZINC000006751131 206670673 /nfs/dbraw/zinc/67/06/73/206670673.db2.gz NDNXTXZPIRVLAF-UHFFFAOYSA-N 0 0 390.443 2.537 10 0 GFAERN CCc1cc2c(cc3c(=O)n(CC(=O)NCc4ccccn4)nc(CC)n23)s1 ZINC000006749580 206670743 /nfs/dbraw/zinc/67/07/43/206670743.db2.gz QVCCZNWWLCTRJZ-UHFFFAOYSA-N 0 0 395.488 2.547 10 0 GFAERN COC(=O)CCNC(=O)Cc1c(C)n(Cc2ccccc2)c2c1C(=O)CCC2 ZINC000011952344 206845588 /nfs/dbraw/zinc/84/55/88/206845588.db2.gz VFLRWBCQIKJZAI-UHFFFAOYSA-N 0 0 382.460 2.586 10 0 GFAERN C[C@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)C1=O ZINC000012005045 206848814 /nfs/dbraw/zinc/84/88/14/206848814.db2.gz KFMKFCBQZPYJMW-NSHDSACASA-N 0 0 384.885 2.715 10 0 GFAERN Cc1ccc(CNC(=O)c2cn(CC(C)C)cc(C(=O)NC(C)C)c2=O)cc1 ZINC000012055737 206852270 /nfs/dbraw/zinc/85/22/70/206852270.db2.gz YGRJUNFRWWOLGK-UHFFFAOYSA-N 0 0 383.492 2.881 10 0 GFAERN O=C(CCS(=O)(=O)c1ccccc1)NCc1cc(-c2cccs2)on1 ZINC000036662379 207069220 /nfs/dbraw/zinc/06/92/20/207069220.db2.gz PSQSNLORTSRFHT-UHFFFAOYSA-N 0 0 376.459 2.883 10 0 GFAERN CCc1ccc(CNC(=O)CCc2nnc(Cc3ccc4c(c3)OCO4)o2)nc1 ZINC000019840967 207165754 /nfs/dbraw/zinc/16/57/54/207165754.db2.gz FWZGIPJIRDOKAZ-UHFFFAOYSA-N 0 0 394.431 2.596 10 0 GFAERN O=C(CNc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000020457417 207195186 /nfs/dbraw/zinc/19/51/86/207195186.db2.gz YTWWSFDFCWYEHJ-UHFFFAOYSA-N 0 0 388.851 2.872 10 0 GFAERN CCOC(=O)c1nn(CCO)c2c1CN(Cc1cccc3ccccc31)CC2 ZINC000020586473 207204280 /nfs/dbraw/zinc/20/42/80/207204280.db2.gz SRCXRXBBDGPHLW-UHFFFAOYSA-N 0 0 379.460 2.764 10 0 GFAERN O=C(NCc1ccccc1)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O ZINC000034811123 207477265 /nfs/dbraw/zinc/47/72/65/207477265.db2.gz LQBAPOKGDNCCNP-UHFFFAOYSA-N 0 0 378.407 2.608 10 0 GFAERN CCc1ccc([C@H]2CC[C@H](C(=O)NCc3cccnc3)CN2C(=O)COC)cc1 ZINC000034710183 207470974 /nfs/dbraw/zinc/47/09/74/207470974.db2.gz UUFHOXJDZQYSMK-LEWJYISDSA-N 0 0 395.503 2.887 10 0 GFAERN Cc1cnc(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nc1Cl ZINC000095089650 208155785 /nfs/dbraw/zinc/15/57/85/208155785.db2.gz HWVVMJXSHCJQBX-UHFFFAOYSA-N 0 0 375.878 2.612 10 0 GFAERN CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000095562487 208233283 /nfs/dbraw/zinc/23/32/83/208233283.db2.gz SWDFZDHXQCXDGL-UHFFFAOYSA-N 0 0 384.807 2.651 10 0 GFAERN NC(=O)/C=C/c1ccc(OCc2cccnc2)c(I)c1 ZINC000226332914 208472676 /nfs/dbraw/zinc/47/26/76/208472676.db2.gz DXVUGDJEPDEOLI-GQCTYLIASA-N 0 0 380.185 2.764 10 0 GFAERN CCN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1 ZINC000041085514 209095439 /nfs/dbraw/zinc/09/54/39/209095439.db2.gz MBGNHWPGBWATCV-UHFFFAOYSA-N 0 0 398.510 2.861 10 0 GFAERN CCOCc1nn2c(nc(COC(=O)[C@@H](CC)c3ccccc3)cc2=O)s1 ZINC000041077287 209094811 /nfs/dbraw/zinc/09/48/11/209094811.db2.gz LEIHVMADFWSKNV-HNNXBMFYSA-N 0 0 387.461 2.925 10 0 GFAERN Cc1ccc(CNC(=O)c2csc(-c3ccnc(N4CCOCC4)c3)n2)o1 ZINC000065062607 136159033 /nfs/dbraw/zinc/15/90/33/136159033.db2.gz CAVQBNNKHILMJK-UHFFFAOYSA-N 0 0 384.461 2.873 10 0 GFAERN CC(=O)N1CCc2ccccc2[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000065230807 534823757 /nfs/dbraw/zinc/82/37/57/534823757.db2.gz FXEGOLAVVMKLJY-NRFANRHFSA-N 0 0 381.451 2.620 10 0 GFAERN O=C([O-])C1CC[NH+](Cc2nnn(-c3cc(F)cc(F)c3)c2-c2ccncc2)CC1 ZINC000057345235 527565431 /nfs/dbraw/zinc/56/54/31/527565431.db2.gz CMVYXYMAYRRSCP-UHFFFAOYSA-N 0 0 399.401 2.904 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000015359021 551111210 /nfs/dbraw/zinc/11/12/10/551111210.db2.gz XRDYQGXXLUDLBV-JTQLQIEISA-N 0 0 391.873 2.922 10 0 GFAERN CC(C)[C@@H](C)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000017055740 551112177 /nfs/dbraw/zinc/11/21/77/551112177.db2.gz STUNCOBHPQQPCF-LLVKDONJSA-N 0 0 381.270 2.986 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCSCc1ccc(C)cc1 ZINC000028439860 551124039 /nfs/dbraw/zinc/12/40/39/551124039.db2.gz VJZICVPJLRRRKR-QGZVFWFLSA-N 0 0 384.567 2.549 10 0 GFAERN CC(C)n1ccnc1CS(=O)(=O)CCC(=O)NCc1ccccc1Cl ZINC000107075842 551201735 /nfs/dbraw/zinc/20/17/35/551201735.db2.gz YAJGIILSBYLAGT-UHFFFAOYSA-N 0 0 383.901 2.739 10 0 GFAERN OC[C@H]1CCCN1c1cc(NCCOc2cccc(Br)c2)ncn1 ZINC000110257304 551203640 /nfs/dbraw/zinc/20/36/40/551203640.db2.gz KQPKLWBPXLIGDY-CQSZACIVSA-N 0 0 393.285 2.691 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2Cl)C1 ZINC000112266672 551205700 /nfs/dbraw/zinc/20/57/00/551205700.db2.gz NIJFSMAACJOYJB-GFCCVEGCSA-N 0 0 384.889 2.528 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cs1 ZINC000116351559 551212745 /nfs/dbraw/zinc/21/27/45/551212745.db2.gz NZXDTJGZBLYXTD-UHFFFAOYSA-N 0 0 387.477 2.626 10 0 GFAERN COCCN1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)C[C@@H]1C ZINC000117491444 551213811 /nfs/dbraw/zinc/21/38/11/551213811.db2.gz LYYNQLIPFWYCQZ-SUMWQHHRSA-N 0 0 396.329 2.799 10 0 GFAERN Cc1ccc([C@H](C)NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1F ZINC000119480469 551216991 /nfs/dbraw/zinc/21/69/91/551216991.db2.gz DGSBXWPFWNASJT-ZDUSSCGKSA-N 0 0 385.482 2.886 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000121226972 551229986 /nfs/dbraw/zinc/22/99/86/551229986.db2.gz OZSZPPRDMLBPNR-NSHDSACASA-N 0 0 392.315 2.941 10 0 GFAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1cc(Br)ccc1Cl ZINC000121356436 551233009 /nfs/dbraw/zinc/23/30/09/551233009.db2.gz XQADPZHZJJPHSF-CABZTGNLSA-N 0 0 382.707 2.932 10 0 GFAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000121689132 551239678 /nfs/dbraw/zinc/23/96/78/551239678.db2.gz UVANMUHKPZSVSZ-SCLBCKFNSA-N 0 0 385.913 2.901 10 0 GFAERN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000125068026 551319356 /nfs/dbraw/zinc/31/93/56/551319356.db2.gz NMZGTHAIHPUTAX-UHFFFAOYSA-N 0 0 381.263 2.853 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1cncc(Br)c1)CC2 ZINC000126399280 551329248 /nfs/dbraw/zinc/32/92/48/551329248.db2.gz GKNGTCIPWDIBKQ-NSHDSACASA-N 0 0 379.262 2.696 10 0 GFAERN Brc1ccc2ncc(CN3CCC[C@@H](Cn4cncn4)C3)n2c1 ZINC000128557896 551350467 /nfs/dbraw/zinc/35/04/67/551350467.db2.gz AXMKUKXEHLTUCX-CYBMUJFWSA-N 0 0 375.274 2.601 10 0 GFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000130438013 551365017 /nfs/dbraw/zinc/36/50/17/551365017.db2.gz PABJPWHEJWKEDZ-LBPRGKRZSA-N 0 0 393.285 2.793 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000131287812 551373907 /nfs/dbraw/zinc/37/39/07/551373907.db2.gz NEGOGZFOLYQRLZ-BETUJISGSA-N 0 0 388.917 2.620 10 0 GFAERN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000135859721 551389478 /nfs/dbraw/zinc/38/94/78/551389478.db2.gz NIGCIBWJOMGSMO-FZMZJTMJSA-N 0 0 399.285 2.859 10 0 GFAERN O=C(CSc1nncn1-c1cccc(Cl)c1)N[C@H]1CCCC[C@@H]1CO ZINC000151040931 551406075 /nfs/dbraw/zinc/40/60/75/551406075.db2.gz UZONJEIFCITCRN-DOMZBBRYSA-N 0 0 380.901 2.680 10 0 GFAERN O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@H]1CCCC[C@@H]1CO ZINC000151112726 551407391 /nfs/dbraw/zinc/40/73/91/551407391.db2.gz FOWFANPYDWMFEQ-YPMHNXCESA-N 0 0 379.507 2.667 10 0 GFAERN O=C(Cc1cc(F)ccc1Br)N1CCC[C@H](Cn2cncn2)C1 ZINC000151687852 551419599 /nfs/dbraw/zinc/41/95/99/551419599.db2.gz TXZYWBMJRADOOC-LBPRGKRZSA-N 0 0 381.249 2.661 10 0 GFAERN C[C@@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)s1 ZINC000152206981 551428235 /nfs/dbraw/zinc/42/82/35/551428235.db2.gz ZFRMASBZMUAGSZ-SNVBAGLBSA-N 0 0 379.935 2.528 10 0 GFAERN CSCC[C@H](NC(=O)[C@@H](C)N1CCSCC1)c1nc2ccccc2[nH]1 ZINC000152325785 551431002 /nfs/dbraw/zinc/43/10/02/551431002.db2.gz HXARCIOSFUUAHU-CJNGLKHVSA-N 0 0 378.567 2.911 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)[C@@H](C)Cc2ccc(Br)cc2)n1 ZINC000152759569 551438978 /nfs/dbraw/zinc/43/89/78/551438978.db2.gz HNWXUDUPRAEBIB-NHYWBVRUSA-N 0 0 394.269 2.919 10 0 GFAERN Cc1noc([C@H](C)N2CCN(C[C@@H](O)c3ccccc3Br)CC2)n1 ZINC000152946579 551443212 /nfs/dbraw/zinc/44/32/12/551443212.db2.gz RFUWUWBKNSOGMU-BLLLJJGKSA-N 0 0 395.301 2.553 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc(Br)c(O)c2)C1 ZINC000153466148 551453106 /nfs/dbraw/zinc/45/31/06/551453106.db2.gz RZCHBAWJFNRMGC-LBPRGKRZSA-N 0 0 379.258 2.786 10 0 GFAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000153463664 551453197 /nfs/dbraw/zinc/45/31/97/551453197.db2.gz HGAZWXYKIQHCNJ-UHFFFAOYSA-N 0 0 391.269 2.825 10 0 GFAERN CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1F ZINC000153676859 551458088 /nfs/dbraw/zinc/45/80/88/551458088.db2.gz MBBMQGNVVLFFSE-MRXNPFEDSA-N 0 0 383.466 2.585 10 0 GFAERN O=C(Cc1cccc(I)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000154134256 551468189 /nfs/dbraw/zinc/46/81/89/551468189.db2.gz CKFZORJSMWDOAA-OAHLLOKOSA-N 0 0 395.244 2.721 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CSCc1ccc(Cl)cc1 ZINC000155103781 551491203 /nfs/dbraw/zinc/49/12/03/551491203.db2.gz IJMCJDVMZAIWBG-AWEZNQCLSA-N 0 0 380.901 2.962 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000155482647 551500787 /nfs/dbraw/zinc/50/07/87/551500787.db2.gz YSSZZPMXWTXGMY-AWEZNQCLSA-N 0 0 394.313 2.791 10 0 GFAERN Cc1csc([C@H]2CN(CCC(=O)N3CCc4sccc4C3)CCO2)n1 ZINC000157774347 551542852 /nfs/dbraw/zinc/54/28/52/551542852.db2.gz SFHFKEMUEHLWGW-OAHLLOKOSA-N 0 0 377.535 2.861 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3cc(C)ccc3Br)CCO2)[nH]1 ZINC000157834129 551543307 /nfs/dbraw/zinc/54/33/07/551543307.db2.gz HOCWVXGFXPOUOA-CYBMUJFWSA-N 0 0 379.258 2.652 10 0 GFAERN O=S(=O)(c1ccc(F)cc1F)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158488508 551552806 /nfs/dbraw/zinc/55/28/06/551552806.db2.gz FQLQPLINLNKQFU-ABAIWWIYSA-N 0 0 375.343 2.740 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000158555381 551553523 /nfs/dbraw/zinc/55/35/23/551553523.db2.gz PSMRIYZHRJICNE-NOZJJQNGSA-N 0 0 378.778 2.965 10 0 GFAERN COC(=O)[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1cccc(Br)c1 ZINC000158984829 551559793 /nfs/dbraw/zinc/55/97/93/551559793.db2.gz ATXFUYCFELXOOZ-XHDPSFHLSA-N 0 0 393.285 2.942 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000159027056 551559913 /nfs/dbraw/zinc/55/99/13/551559913.db2.gz HLMGMJGLDQUBCT-HIFRSBDPSA-N 0 0 393.285 2.942 10 0 GFAERN O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000163336766 551618896 /nfs/dbraw/zinc/61/88/96/551618896.db2.gz HRRJPULWZUSBMP-JOYOIKCWSA-N 0 0 389.677 2.708 10 0 GFAERN O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCCN(c2cccnn2)CC1 ZINC000163516131 551620934 /nfs/dbraw/zinc/62/09/34/551620934.db2.gz LGTUYVCPLVEMQA-MRXNPFEDSA-N 0 0 381.263 2.556 10 0 GFAERN Cc1nn(C)c(C)c1CN1CCN(Cc2cncc(Br)c2)CC1 ZINC000170942683 551643833 /nfs/dbraw/zinc/64/38/33/551643833.db2.gz ZFLVSCUBXJBBMN-UHFFFAOYSA-N 0 0 378.318 2.512 10 0 GFAERN Brc1cc2c(cc1CN1CCC[C@@H](n3cncn3)C1)OCCO2 ZINC000171703969 551661307 /nfs/dbraw/zinc/66/13/07/551661307.db2.gz ROPLFUDLRKUDHZ-CYBMUJFWSA-N 0 0 379.258 2.649 10 0 GFAERN Cc1nc(C)c(CCNC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000171749223 551662015 /nfs/dbraw/zinc/66/20/15/551662015.db2.gz LOYIWBOOHZOSLC-CQSZACIVSA-N 0 0 379.507 2.520 10 0 GFAERN CCn1cc(Br)cc1C(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000171811361 551664031 /nfs/dbraw/zinc/66/40/31/551664031.db2.gz UOXDVCARANEALK-UHFFFAOYSA-N 0 0 392.301 2.721 10 0 GFAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CCO[C@H](c2nccs2)C1 ZINC000171855250 551665035 /nfs/dbraw/zinc/66/50/35/551665035.db2.gz CEOGODRGFZYLHF-LBPRGKRZSA-N 0 0 397.250 2.848 10 0 GFAERN Cc1csc(C(C)(C)NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)n1 ZINC000172172304 551672032 /nfs/dbraw/zinc/67/20/32/551672032.db2.gz CWWBVEAOXQNVMM-ZDUSSCGKSA-N 0 0 379.507 2.905 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)C(C)(C)c3ccc(Br)cc3)CCO2)[nH]1 ZINC000173086496 551695427 /nfs/dbraw/zinc/69/54/27/551695427.db2.gz KOMFMCYWVKEEBT-AWEZNQCLSA-N 0 0 393.285 2.753 10 0 GFAERN C[C@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1cccc(Br)c1 ZINC000173773688 552091384 /nfs/dbraw/zinc/09/13/84/552091384.db2.gz DTDVDUGDUNRSKE-XJKSGUPXSA-N 0 0 382.302 2.626 10 0 GFAERN C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1cccc(Br)c1 ZINC000173773701 552091469 /nfs/dbraw/zinc/09/14/69/552091469.db2.gz DTDVDUGDUNRSKE-CZUORRHYSA-N 0 0 382.302 2.626 10 0 GFAERN C[C@H]1CN(C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)CCS1 ZINC000174621107 552106651 /nfs/dbraw/zinc/10/66/51/552106651.db2.gz DOQAWCZFJPKLOD-NSHDSACASA-N 0 0 376.869 2.960 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(-c2ccc(C)s2)[nH]n1 ZINC000175334097 552119600 /nfs/dbraw/zinc/11/96/00/552119600.db2.gz OVKUQRKVCFMLRR-CYBMUJFWSA-N 0 0 382.511 2.589 10 0 GFAERN CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000176015445 552134478 /nfs/dbraw/zinc/13/44/78/552134478.db2.gz SRLIZQYDDUVRQJ-NSHDSACASA-N 0 0 379.873 2.552 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(C)c(Br)c3)CCO2)[nH]1 ZINC000176993067 552148785 /nfs/dbraw/zinc/14/87/85/552148785.db2.gz HHYTULTZBNFXHV-CYBMUJFWSA-N 0 0 380.246 2.789 10 0 GFAERN C[C@H]1CN(C(=O)c2cccn3c(I)cnc23)CCS1 ZINC000177197680 552151346 /nfs/dbraw/zinc/15/13/46/552151346.db2.gz VARYGDXASNZPNO-VIFPVBQESA-N 0 0 387.246 2.516 10 0 GFAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(Br)cc3)C2)c1 ZINC000177668174 552156606 /nfs/dbraw/zinc/15/66/06/552156606.db2.gz FQTNDZLVIIXUMA-HNNXBMFYSA-N 0 0 391.269 2.756 10 0 GFAERN O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@@H]1COc2ccccc21 ZINC000178032419 552162673 /nfs/dbraw/zinc/16/26/73/552162673.db2.gz NUTZLEHLYCBVAM-LSDHHAIUSA-N 0 0 377.238 2.915 10 0 GFAERN O=C(c1ccc(F)c(I)c1)N1CCN2CCCC[C@@H]2C1 ZINC000178172672 552165952 /nfs/dbraw/zinc/16/59/52/552165952.db2.gz UKOBSUDYHGKDJO-GFCCVEGCSA-N 0 0 388.224 2.741 10 0 GFAERN CNC(=O)[C@H](NC(=O)N[C@H](C)c1ccc(OC)c(Br)c1)C(C)C ZINC000178424596 552170365 /nfs/dbraw/zinc/17/03/65/552170365.db2.gz WYVBPVGKTVXFST-QMTHXVAHSA-N 0 0 386.290 2.589 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(Br)c(O)c1)CC2 ZINC000179149408 552185711 /nfs/dbraw/zinc/18/57/11/552185711.db2.gz OIKBYNDNMVCLKK-LLVKDONJSA-N 0 0 379.258 2.614 10 0 GFAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cc(I)c(F)cc1F ZINC000179235551 552188040 /nfs/dbraw/zinc/18/80/40/552188040.db2.gz HFMZHYPCTDMKQC-ISVAXAHUSA-N 0 0 395.187 2.850 10 0 GFAERN CC(=O)N[C@@H]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179307536 552189628 /nfs/dbraw/zinc/18/96/28/552189628.db2.gz YLWVMQNSHACJKE-MRXNPFEDSA-N 0 0 377.286 2.735 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000179990873 552209238 /nfs/dbraw/zinc/20/92/38/552209238.db2.gz NNWDJHGPIFTYLX-KGLIPLIRSA-N 0 0 383.279 2.702 10 0 GFAERN C[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000180068395 552212347 /nfs/dbraw/zinc/21/23/47/552212347.db2.gz YFMKWLGJQMPQCM-JLZZUVOBSA-N 0 0 387.307 2.596 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3cccc(C)c3Cl)C2)n1 ZINC000180306970 552222032 /nfs/dbraw/zinc/22/20/32/552222032.db2.gz LKBZYTYZGDMWGJ-HNNXBMFYSA-N 0 0 382.917 2.958 10 0 GFAERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H](C)C2 ZINC000180598176 552231372 /nfs/dbraw/zinc/23/13/72/552231372.db2.gz OXBQHFNEMFDFNX-UGSOOPFHSA-N 0 0 379.503 2.610 10 0 GFAERN C[C@@H](NCc1csc(CS(C)(=O)=O)n1)c1cccc(-n2ccnc2)c1 ZINC000180657568 552232588 /nfs/dbraw/zinc/23/25/88/552232588.db2.gz MKMOVCGAJULBNU-CYBMUJFWSA-N 0 0 376.507 2.724 10 0 GFAERN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180970589 552241720 /nfs/dbraw/zinc/24/17/20/552241720.db2.gz LZCUDSKMGTTXFL-NSHDSACASA-N 0 0 375.281 2.686 10 0 GFAERN COC(=O)C1CCC(C(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000181094598 552246334 /nfs/dbraw/zinc/24/63/34/552246334.db2.gz SGFSAUWINKJJBR-KOHJWAIASA-N 0 0 384.270 2.578 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)CC2 ZINC000181733449 552266458 /nfs/dbraw/zinc/26/64/58/552266458.db2.gz JMIZKXYNPHYXQM-GFCCVEGCSA-N 0 0 386.880 2.628 10 0 GFAERN Cc1nc(C)c(S(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)s1 ZINC000183191273 552302794 /nfs/dbraw/zinc/30/27/94/552302794.db2.gz UMAGVMZMEGOTCP-CYBMUJFWSA-N 0 0 381.527 2.604 10 0 GFAERN CC(C)n1nnnc1C[S@@](=O)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000183437530 552309349 /nfs/dbraw/zinc/30/93/49/552309349.db2.gz KNTWSJQBDJEGLP-VWLOTQADSA-N 0 0 384.889 2.560 10 0 GFAERN COCCN1CCN(C(=O)c2cccc(Br)c2Cl)C[C@H]1C ZINC000183828085 552320303 /nfs/dbraw/zinc/32/03/03/552320303.db2.gz KHZFLXMDPJYRGK-LLVKDONJSA-N 0 0 375.694 2.895 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)Nc2nnc(C(F)(F)F)s2)C12CCOCC2 ZINC000183982668 552324297 /nfs/dbraw/zinc/32/42/97/552324297.db2.gz MPOUKAGQDATYOW-BDAKNGLRSA-N 0 0 380.392 2.653 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3cccc(Br)c3Cl)CCO2)[nH]1 ZINC000184074626 552326933 /nfs/dbraw/zinc/32/69/33/552326933.db2.gz BKXYYLWKMGGLBN-NSHDSACASA-N 0 0 385.649 2.743 10 0 GFAERN CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000184912100 552347861 /nfs/dbraw/zinc/34/78/61/552347861.db2.gz KSXLYMCULQCMQN-VIFPVBQESA-N 0 0 383.297 2.700 10 0 GFAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000185154406 552355653 /nfs/dbraw/zinc/35/56/53/552355653.db2.gz YEMOEFPTOOJNCT-ZIAGYGMSSA-N 0 0 386.901 2.594 10 0 GFAERN COCC(=O)NC1CN(C(=O)c2ccccc2SCc2cccs2)C1 ZINC000185227196 552357452 /nfs/dbraw/zinc/35/74/52/552357452.db2.gz XAUHMROYQDOYGF-UHFFFAOYSA-N 0 0 376.503 2.627 10 0 GFAERN Cc1ccc(CCC(=O)N2CCO[C@H](Cn3cccn3)C2)c(Br)c1 ZINC000185378740 552362314 /nfs/dbraw/zinc/36/23/14/552362314.db2.gz WSNXHGYHNFPICQ-INIZCTEOSA-N 0 0 392.297 2.814 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1ccc(F)cc1Br)CC2 ZINC000186432715 552387575 /nfs/dbraw/zinc/38/75/75/552387575.db2.gz IIBASHRGZYKIDS-ZDUSSCGKSA-N 0 0 395.276 2.977 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000186669886 552394002 /nfs/dbraw/zinc/39/40/02/552394002.db2.gz DVRGMZZLPUXYNY-LBPRGKRZSA-N 0 0 387.249 2.599 10 0 GFAERN Cc1[nH]c(=O)c(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1Br ZINC000187608222 552420169 /nfs/dbraw/zinc/42/01/69/552420169.db2.gz NGUPZQDOKRZTAX-AAEUAGOBSA-N 0 0 397.294 2.768 10 0 GFAERN O=C(Cc1ccc(F)cc1Br)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000188165296 552437520 /nfs/dbraw/zinc/43/75/20/552437520.db2.gz VEILIRPYVCIPNE-CQSZACIVSA-N 0 0 393.260 2.706 10 0 GFAERN C[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1cccc(Br)c1 ZINC000188792653 552455009 /nfs/dbraw/zinc/45/50/09/552455009.db2.gz QKPVJOOLUUKMLI-NSHDSACASA-N 0 0 380.286 2.820 10 0 GFAERN O=C(Nc1cc(Br)c(F)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000189053990 552462015 /nfs/dbraw/zinc/46/20/15/552462015.db2.gz SUKASOVQNVUGFN-JTQLQIEISA-N 0 0 390.228 2.666 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(C)c(Br)c1 ZINC000189422369 552470913 /nfs/dbraw/zinc/47/09/13/552470913.db2.gz ZUMOOAOKZKHGNH-AWEZNQCLSA-N 0 0 393.285 2.689 10 0 GFAERN CC[C@H](Cc1ccccc1Br)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189489602 552473010 /nfs/dbraw/zinc/47/30/10/552473010.db2.gz JFQHCCKJIRABLB-GFCCVEGCSA-N 0 0 379.298 2.755 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)Cc2cccc(Br)c2C)n1 ZINC000190162663 552489207 /nfs/dbraw/zinc/48/92/07/552489207.db2.gz QXVXEROGJJHSJO-CQSZACIVSA-N 0 0 380.242 2.592 10 0 GFAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190744985 552507424 /nfs/dbraw/zinc/50/74/24/552507424.db2.gz WTAVAQMXSKYNKP-CYBMUJFWSA-N 0 0 391.269 2.584 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000191339746 552525388 /nfs/dbraw/zinc/52/53/88/552525388.db2.gz OICDDULIEWCOEI-LBPRGKRZSA-N 0 0 382.302 2.647 10 0 GFAERN CC[C@@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)Cc1cccc(Br)c1 ZINC000191409353 552527498 /nfs/dbraw/zinc/52/74/98/552527498.db2.gz SKYDWZMPNHMQNL-UONOGXRCSA-N 0 0 396.329 2.938 10 0 GFAERN C[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@@H]1N1CCOCC1 ZINC000191917036 552542633 /nfs/dbraw/zinc/54/26/33/552542633.db2.gz CAMGYCIVJRVLGE-PBHICJAKSA-N 0 0 393.325 2.660 10 0 GFAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000191932102 552543380 /nfs/dbraw/zinc/54/33/80/552543380.db2.gz CXLBVGIREGTWEA-ONGXEEELSA-N 0 0 376.272 2.606 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCc2cccc(Br)c2)C1 ZINC000192374718 552561365 /nfs/dbraw/zinc/56/13/65/552561365.db2.gz BESCLMFJCOKRNA-UONOGXRCSA-N 0 0 395.257 2.812 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000193538351 552995967 /nfs/dbraw/zinc/99/59/67/552995967.db2.gz QUPOBSUOSWMXQN-GOEBONIOSA-N 0 0 395.297 2.660 10 0 GFAERN O=C(c1cc(I)ccc1O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000193594013 552997406 /nfs/dbraw/zinc/99/74/06/552997406.db2.gz BJNQRBKFUVYJRW-GXTWGEPZSA-N 0 0 387.217 2.780 10 0 GFAERN O=C(c1ccoc1Br)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000193596472 552998314 /nfs/dbraw/zinc/99/83/14/552998314.db2.gz AEGOGEHRLHFGRJ-UHFFFAOYSA-N 0 0 395.257 2.651 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3cccc4cnccc43)CCO2)n1 ZINC000193943826 553007460 /nfs/dbraw/zinc/00/74/60/553007460.db2.gz OTNULOAQFCOUFQ-HNNXBMFYSA-N 0 0 375.475 2.762 10 0 GFAERN CCOc1ccc(S(=O)(=O)N2CCO[C@H](c3nc(C)cs3)C2)c(C)c1 ZINC000193944016 553007476 /nfs/dbraw/zinc/00/74/76/553007476.db2.gz WEXJEKWFWJTYJW-HNNXBMFYSA-N 0 0 382.507 2.921 10 0 GFAERN C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1)c1cccc(Cl)c1 ZINC000194092222 553011843 /nfs/dbraw/zinc/01/18/43/553011843.db2.gz GRVVJDNGGXTCCY-NSHDSACASA-N 0 0 382.873 2.868 10 0 GFAERN O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCN2CCCC[C@H]2C1 ZINC000195053657 553036828 /nfs/dbraw/zinc/03/68/28/553036828.db2.gz FFGKYENTIRADBI-KRWDZBQOSA-N 0 0 389.297 2.945 10 0 GFAERN Cc1cc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)ccc1Br ZINC000195275522 553043874 /nfs/dbraw/zinc/04/38/74/553043874.db2.gz LMFYBURBLXFWFX-CQSZACIVSA-N 0 0 375.222 2.946 10 0 GFAERN O=C(Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195320733 553044850 /nfs/dbraw/zinc/04/48/50/553044850.db2.gz UJJTYNWKEZCUSC-CQSZACIVSA-N 0 0 377.901 2.568 10 0 GFAERN O=C(N[C@@H]1COc2ccccc21)c1ccc(I)c(O)c1 ZINC000230891009 553065886 /nfs/dbraw/zinc/06/58/86/553065886.db2.gz ZSCHEQOKANSYJL-GFCCVEGCSA-N 0 0 381.169 2.860 10 0 GFAERN COCCN1CCN(C(=O)[C@H](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000245764731 553097282 /nfs/dbraw/zinc/09/72/82/553097282.db2.gz QWFPPWVMNPLXPU-HUUCEWRRSA-N 0 0 383.330 2.807 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000246153413 553103428 /nfs/dbraw/zinc/10/34/28/553103428.db2.gz MTEKZTQLASAESK-IAQYHMDHSA-N 0 0 376.881 2.861 10 0 GFAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)NC[C@H]1CCCS1(=O)=O ZINC000248167089 553127743 /nfs/dbraw/zinc/12/77/43/553127743.db2.gz TYGPUJRMVWBAAW-ZKYQVNSYSA-N 0 0 391.320 2.973 10 0 GFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(OC)c(Br)n1 ZINC000248441704 553129586 /nfs/dbraw/zinc/12/95/86/553129586.db2.gz KISQITSDENEPKS-RTXFEEFZSA-N 0 0 397.269 2.799 10 0 GFAERN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@@H]1CC(F)(F)CN1 ZINC000263283147 553185166 /nfs/dbraw/zinc/18/51/66/553185166.db2.gz UOBCXCKDNDOSIZ-HIFRSBDPSA-N 0 0 375.822 2.557 10 0 GFAERN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000263383554 553186967 /nfs/dbraw/zinc/18/69/67/553186967.db2.gz CILCZBAJBYQULZ-VIFPVBQESA-N 0 0 386.235 2.871 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ncc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000263400070 553187279 /nfs/dbraw/zinc/18/72/79/553187279.db2.gz ISBMYDGXXURHDU-AWEZNQCLSA-N 0 0 381.885 2.685 10 0 GFAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000373056094 563326725 /nfs/dbraw/zinc/32/67/25/563326725.db2.gz HBXFVLRPQAFLTJ-VXGBXAGGSA-N 0 0 380.436 2.585 10 0 GFAERN CCC(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000301178181 563395871 /nfs/dbraw/zinc/39/58/71/563395871.db2.gz MBNKBBLMAWYZFX-UHFFFAOYSA-N 0 0 381.263 2.598 10 0 GFAERN OC[C@H]1CCCN1c1cc(NCc2ccc(F)cc2Br)ncn1 ZINC000301222275 563396448 /nfs/dbraw/zinc/39/64/48/563396448.db2.gz BDOXZDQZCFNOQP-CYBMUJFWSA-N 0 0 381.249 2.951 10 0 GFAERN O=C([C@H](CNc1ccc(Br)cn1)c1ccccc1)N1CCOCC1 ZINC000301362415 563401650 /nfs/dbraw/zinc/40/16/50/563401650.db2.gz MUDNYBGTESANFP-MRXNPFEDSA-N 0 0 390.281 2.899 10 0 GFAERN Cc1ccc([C@](C)(O)CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)o1 ZINC000301431684 563403503 /nfs/dbraw/zinc/40/35/03/563403503.db2.gz KFSRUYQCXLNVRQ-CQSZACIVSA-N 0 0 378.372 2.574 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCN(c3nnc(C(C)C)s3)CC2)c(C)c1 ZINC000301702660 563411007 /nfs/dbraw/zinc/41/10/07/563411007.db2.gz ACPZXQZODHEVCE-UHFFFAOYSA-N 0 0 380.539 2.789 10 0 GFAERN O=S(=O)(c1cccc(F)c1)N1CCN(c2nc(C(F)(F)F)cs2)CC1 ZINC000301723216 563411263 /nfs/dbraw/zinc/41/12/63/563411263.db2.gz KTPCWEZPWCUJOK-UHFFFAOYSA-N 0 0 395.403 2.812 10 0 GFAERN COC(=O)c1cc(N2CC[C@H](C)[C@H](O)C2)c2cc(Br)ccc2n1 ZINC000301964413 563417552 /nfs/dbraw/zinc/41/75/52/563417552.db2.gz WCXLDDAADXALRQ-MGPLVRAMSA-N 0 0 379.254 2.991 10 0 GFAERN CCOC(=O)c1sc(N2CCN(Cc3ccc(Cl)cn3)CC2)nc1C ZINC000302159446 563422067 /nfs/dbraw/zinc/42/20/67/563422067.db2.gz NPOADCMATVNAQW-UHFFFAOYSA-N 0 0 380.901 2.999 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399013580 563533739 /nfs/dbraw/zinc/53/37/39/563533739.db2.gz SNNWVYNDKBDDFH-DCAQKATOSA-N 0 0 380.329 2.601 10 0 GFAERN O=C(c1ccc(I)c(Cl)c1)N1CC(n2cccn2)C1 ZINC000364229270 563747135 /nfs/dbraw/zinc/74/71/35/563747135.db2.gz GNEDBBFFWCCWRA-UHFFFAOYSA-N 0 0 387.608 2.838 10 0 GFAERN COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)NCc1nnc(SC)s1)CCO2 ZINC000583615060 564899594 /nfs/dbraw/zinc/89/95/94/564899594.db2.gz PDKQIXXMRWYROK-SJKOYZFVSA-N 0 0 377.491 2.625 10 0 GFAERN Cc1ccc(C(=O)N2CCO[C@H](CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000034667057 570292641 /nfs/dbraw/zinc/29/26/41/570292641.db2.gz CMQSOMRNPASMEE-JOCHJYFZSA-N 0 0 379.504 2.658 10 0 GFAERN COc1cccc(SCC(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)c1 ZINC000219851764 570376461 /nfs/dbraw/zinc/37/64/61/570376461.db2.gz QKTSDKVECZLWPP-FQEVSTJZSA-N 0 0 387.505 2.860 10 0 GFAERN [NH3+]Cc1ccc(S(=O)(=O)[N-]c2cccc(I)c2)s1 ZINC000034975288 570548673 /nfs/dbraw/zinc/54/86/73/570548673.db2.gz OXEVGCKAMBZZEC-UHFFFAOYSA-N 0 0 394.259 2.612 10 0 GFAERN CCOC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C(C)C ZINC000036161357 570555960 /nfs/dbraw/zinc/55/59/60/570555960.db2.gz CTTNVCVRZJAWLU-KGLIPLIRSA-N 0 0 393.553 2.717 10 0 GFAERN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCCCC2)cc1C ZINC000011933419 570592823 /nfs/dbraw/zinc/59/28/23/570592823.db2.gz OJTCALGJHQDKHD-LJQANCHMSA-N 0 0 387.524 2.533 10 0 GFAERN O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CC[NH2+]CC1 ZINC000722627698 570700607 /nfs/dbraw/zinc/70/06/07/570700607.db2.gz FUCDSIFFWMHXOA-UHFFFAOYSA-N 0 0 380.444 2.980 10 0 GFAERN COc1ccc(CNC(=O)c2cc3c(ccn(CC(C)C)c3=O)n2C)c(OC)c1 ZINC000065118991 570706104 /nfs/dbraw/zinc/70/61/04/570706104.db2.gz ATTXUMPDXKPNGB-UHFFFAOYSA-N 0 0 397.475 2.943 10 0 GFAERN O=C(CN1c2cc(F)ccc2C(=O)N2CCC[C@H]2C1=O)Nc1ccc(F)cc1 ZINC000065307006 570790259 /nfs/dbraw/zinc/79/02/59/570790259.db2.gz GDGPFMONDQZEMO-INIZCTEOSA-N 0 0 385.370 2.555 10 0 GFAERN COc1ccc2c(c1)[C@@]1(CCN(C(=O)Nc3cccc(OC)c3)C1)C(=O)N2C ZINC000065249471 570865653 /nfs/dbraw/zinc/86/56/53/570865653.db2.gz CLOKJJJGZYSQME-NRFANRHFSA-N 0 0 381.432 2.856 10 0 GFAERN Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000017852709 654522105 /nfs/dbraw/zinc/52/21/05/654522105.db2.gz XMXAQDVSMOXPRP-LBPRGKRZSA-N 0 0 380.491 2.544 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(I)cc1 ZINC000021275444 654526259 /nfs/dbraw/zinc/52/62/59/654526259.db2.gz UXLRVCDWYBVVFR-SECBINFHSA-N 0 0 384.173 2.641 10 0 GFAERN O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000030038245 654582299 /nfs/dbraw/zinc/58/22/99/654582299.db2.gz HUXGEEYZQAGSGM-MWLCHTKSSA-N 0 0 381.192 2.848 10 0 GFAERN O=C(Cn1cc(Br)ccc1=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000030038247 654582485 /nfs/dbraw/zinc/58/24/85/654582485.db2.gz HUXGEEYZQAGSGM-KOLCDFICSA-N 0 0 381.192 2.848 10 0 GFAERN O=C(NCCSc1ccccc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000045595273 654670404 /nfs/dbraw/zinc/67/04/04/654670404.db2.gz FENMGMRBZTWFAN-MRXNPFEDSA-N 0 0 376.503 2.997 10 0 GFAERN CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000046058464 654674358 /nfs/dbraw/zinc/67/43/58/654674358.db2.gz FDGGKGXFVUADDD-CQSZACIVSA-N 0 0 389.323 2.927 10 0 GFAERN O=S(=O)(N[C@@H]1CCC[C@@H]1n1ccnc1)c1sccc1Br ZINC000049061061 654714484 /nfs/dbraw/zinc/71/44/84/654714484.db2.gz YFGRDPJTTCRXLU-MNOVXSKESA-N 0 0 376.301 2.779 10 0 GFAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123195573 654752914 /nfs/dbraw/zinc/75/29/14/654752914.db2.gz OWNFCEKSCIBLJS-DIFFPNOSSA-N 0 0 399.260 2.680 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1ccc(Cl)s1 ZINC000057087884 654800003 /nfs/dbraw/zinc/80/00/03/654800003.db2.gz URTXCULSZGVLAP-MRVPVSSYSA-N 0 0 397.902 2.984 10 0 GFAERN C[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000057197625 654802667 /nfs/dbraw/zinc/80/26/67/654802667.db2.gz NBHCMDJEVLNSFK-SMDDNHRTSA-N 0 0 384.274 2.644 10 0 GFAERN CN1C(=O)C[C@H](C(=O)Nc2cnc(Br)cn2)[C@@H]1c1ccc(F)cc1 ZINC000127015628 654823533 /nfs/dbraw/zinc/82/35/33/654823533.db2.gz CLSORDPXCDKQJP-NHYWBVRUSA-N 0 0 393.216 2.536 10 0 GFAERN Cc1[nH]c(=O)c(C(=O)N2CCC(c3ccnn3C)CC2)cc1Br ZINC000127415517 654829357 /nfs/dbraw/zinc/82/93/57/654829357.db2.gz RBQSIKXEKNISNJ-UHFFFAOYSA-N 0 0 379.258 2.611 10 0 GFAERN C[C@@H](NC(=O)NCCNC(=O)c1cccnc1)c1ccccc1Br ZINC000061188139 654837257 /nfs/dbraw/zinc/83/72/57/654837257.db2.gz JQCDZXPJIIYWAU-GFCCVEGCSA-N 0 0 391.269 2.634 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(Cl)cc1 ZINC000061853848 654843011 /nfs/dbraw/zinc/84/30/11/654843011.db2.gz YDVYYRDKVBQZEY-SECBINFHSA-N 0 0 380.231 2.908 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000131788505 654918379 /nfs/dbraw/zinc/91/83/79/654918379.db2.gz SMVVTWFTXFHLLY-OLZOCXBDSA-N 0 0 377.268 2.914 10 0 GFAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000066937380 654922605 /nfs/dbraw/zinc/92/26/05/654922605.db2.gz SZKZURNAHLHZPZ-CQSZACIVSA-N 0 0 383.901 2.923 10 0 GFAERN Cc1cc(NC(=O)CNC(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1Br ZINC000131997250 654924612 /nfs/dbraw/zinc/92/46/12/654924612.db2.gz WDVYAEXUVDMTPM-FZMZJTMJSA-N 0 0 384.274 2.563 10 0 GFAERN CC[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)Cc1cccc(Br)c1 ZINC000132172001 654927625 /nfs/dbraw/zinc/92/76/25/654927625.db2.gz FNAHBAXNILXGPB-PBHICJAKSA-N 0 0 398.345 2.648 10 0 GFAERN O=C(CCCCc1ccc(Cl)c(Cl)c1)NC[C@@H](O)CN1CCOCC1 ZINC000132468771 654938718 /nfs/dbraw/zinc/93/87/18/654938718.db2.gz ZGAIINZKLLESEU-OAHLLOKOSA-N 0 0 389.323 2.516 10 0 GFAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)CSCc1cscn1 ZINC000133288790 654959487 /nfs/dbraw/zinc/95/94/87/654959487.db2.gz QMRIJXOQIAFLKJ-OAHLLOKOSA-N 0 0 397.591 2.970 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000068530804 654964993 /nfs/dbraw/zinc/96/49/93/654964993.db2.gz GSVSPANIKRMMPA-IAQYHMDHSA-N 0 0 376.254 2.712 10 0 GFAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CCCc2ccccc21 ZINC000133879558 654976197 /nfs/dbraw/zinc/97/61/97/654976197.db2.gz TUPIRDNJBORFBE-CYBMUJFWSA-N 0 0 384.910 2.874 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(Br)cnc1Cl)CC2 ZINC000133987065 654979703 /nfs/dbraw/zinc/97/97/03/654979703.db2.gz FPVGHIOXJRDPRD-SNVBAGLBSA-N 0 0 398.692 2.957 10 0 GFAERN O=C(COc1ccccc1Br)N1CC[C@H](Oc2cccnc2)C1 ZINC000134882648 655005077 /nfs/dbraw/zinc/00/50/77/655005077.db2.gz NOLVIQWAAYOBKN-AWEZNQCLSA-N 0 0 377.238 2.903 10 0 GFAERN O=C(Cc1ccc(Br)s1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135294847 655013553 /nfs/dbraw/zinc/01/35/53/655013553.db2.gz FCXYPFQXIQTYKU-LLVKDONJSA-N 0 0 381.299 2.628 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2ccc(C)nc2Br)C[C@H]1C ZINC000151432428 655051388 /nfs/dbraw/zinc/05/13/88/655051388.db2.gz RSEBDIJEDUXOFQ-CYBMUJFWSA-N 0 0 385.306 2.727 10 0 GFAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000153863309 655071451 /nfs/dbraw/zinc/07/14/51/655071451.db2.gz PTSCNVFYOAVGDF-MRXNPFEDSA-N 0 0 382.844 2.934 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccccc2Br)C1 ZINC000103478277 655073127 /nfs/dbraw/zinc/07/31/27/655073127.db2.gz QTXXNBINYOIEPR-ZDUSSCGKSA-N 0 0 392.301 2.879 10 0 GFAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H](CNc2ccccn2)C1 ZINC000104681749 655084045 /nfs/dbraw/zinc/08/40/45/655084045.db2.gz XRXYUUSAIPETOS-DYVFJYSZSA-N 0 0 389.297 2.805 10 0 GFAERN CCCC[C@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)OC(C)(C)C ZINC000162042392 655129456 /nfs/dbraw/zinc/12/94/56/655129456.db2.gz AIOYNKSMQDZMQX-NSHDSACASA-N 0 0 379.910 2.561 10 0 GFAERN O=C(COc1cccc(Br)c1)N1CCO[C@H](c2nccs2)C1 ZINC000110880876 655160936 /nfs/dbraw/zinc/16/09/36/655160936.db2.gz XYFLZUCYHZRYNK-ZDUSSCGKSA-N 0 0 383.267 2.885 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(Br)c(F)c3)CCO2)n1 ZINC000110906020 655161676 /nfs/dbraw/zinc/16/16/76/655161676.db2.gz SETRDKGMMPBHHK-AWEZNQCLSA-N 0 0 396.260 2.943 10 0 GFAERN O=C(N1CCO[C@@H](Cn2cccn2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000111087124 655164363 /nfs/dbraw/zinc/16/43/63/655164363.db2.gz YFLANTZWEPJMJN-MRXNPFEDSA-N 0 0 390.281 2.605 10 0 GFAERN O=S(=O)(c1ccc(Br)s1)N1CCO[C@@H](c2nccs2)C1 ZINC000111344050 655169409 /nfs/dbraw/zinc/16/94/09/655169409.db2.gz ORBUYAMCCJSPSR-MRVPVSSYSA-N 0 0 395.325 2.729 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@H]1N1CCOCC1 ZINC000173403460 655169996 /nfs/dbraw/zinc/16/99/96/655169996.db2.gz DENRGNPFTZLMHV-WCQYABFASA-N 0 0 381.885 2.849 10 0 GFAERN C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCCO1 ZINC000111451834 655173010 /nfs/dbraw/zinc/17/30/10/655173010.db2.gz PDEODPNJLZIBQZ-ZENOOKHLSA-N 0 0 382.302 2.895 10 0 GFAERN O=C(NCCc1nc(C(F)(F)F)cs1)N1CCO[C@@H](c2nccs2)C1 ZINC000173555530 655174903 /nfs/dbraw/zinc/17/49/03/655174903.db2.gz OFTVAHWRQGYHFG-SECBINFHSA-N 0 0 392.428 2.944 10 0 GFAERN C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000173766097 655180680 /nfs/dbraw/zinc/18/06/80/655180680.db2.gz IAUNLPRIIWBWIV-CZUORRHYSA-N 0 0 382.302 2.626 10 0 GFAERN Cc1nnc(CN2CCN([C@@H](C)c3ccc(Br)cc3)CC2)n1C ZINC000112345787 655188972 /nfs/dbraw/zinc/18/89/72/655188972.db2.gz JKMLKEDRRKEIFU-ZDUSSCGKSA-N 0 0 378.318 2.765 10 0 GFAERN Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)C(C)(C)C)CC2)c(C)s1 ZINC000112460399 655191313 /nfs/dbraw/zinc/19/13/13/655191313.db2.gz BJEMHUKITDGNEI-CQSZACIVSA-N 0 0 387.571 2.815 10 0 GFAERN O=C(N[C@@H]1CCc2ncnn2C1)C1(c2ccc(Br)cc2)CCCC1 ZINC000112662585 655194633 /nfs/dbraw/zinc/19/46/33/655194633.db2.gz DWVRADXNDRKWMZ-OAHLLOKOSA-N 0 0 389.297 2.984 10 0 GFAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1c(Cl)cc(Cl)cc1Cl ZINC000113299199 655207238 /nfs/dbraw/zinc/20/72/38/655207238.db2.gz ADJVQMOTQPGLQC-QMMMGPOBSA-N 0 0 381.672 2.532 10 0 GFAERN C[C@H](NS(=O)(=O)/C=C/c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000175199405 655215553 /nfs/dbraw/zinc/21/55/53/655215553.db2.gz UKMVGFNFHPVRTM-YLSINNKHSA-N 0 0 383.466 2.881 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)Cc3ccc(Br)s3)CC2)cn1 ZINC000114330932 655222083 /nfs/dbraw/zinc/22/20/83/655222083.db2.gz SHEZLZILPJBGPM-UHFFFAOYSA-N 0 0 397.342 2.521 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccc(Br)s1 ZINC000175646948 655225037 /nfs/dbraw/zinc/22/50/37/655225037.db2.gz UCBJEQPKEQQYGP-NSHDSACASA-N 0 0 384.303 2.787 10 0 GFAERN C[C@@H]1CN(C(=O)NCCc2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000175722163 655226110 /nfs/dbraw/zinc/22/61/10/655226110.db2.gz BJHCCMDDIFMLLW-DYVFJYSZSA-N 0 0 386.323 2.898 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)C1(c3cccc(Br)c3)CC1)CC2 ZINC000114869888 655230062 /nfs/dbraw/zinc/23/00/62/655230062.db2.gz YQLBEIHOGSFRPM-AWEZNQCLSA-N 0 0 389.297 2.766 10 0 GFAERN C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116119944 655244194 /nfs/dbraw/zinc/24/41/94/655244194.db2.gz MECBAWFFKSONMU-STQMWFEESA-N 0 0 378.270 2.966 10 0 GFAERN NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116211631 655246127 /nfs/dbraw/zinc/24/61/27/655246127.db2.gz HGSNGBKTOYZXDU-CYBMUJFWSA-N 0 0 399.266 2.667 10 0 GFAERN CC(C)n1nnnc1C[S@](=O)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000176518734 655249051 /nfs/dbraw/zinc/24/90/51/655249051.db2.gz JTQZRNHQAIGBCI-FORDYWAESA-N 0 0 380.861 2.967 10 0 GFAERN Cc1cnn(CCNC(=O)c2cc(Cl)ccc2I)c1 ZINC000117809094 655268304 /nfs/dbraw/zinc/26/83/04/655268304.db2.gz RWGPPAXFSYAXOX-UHFFFAOYSA-N 0 0 389.624 2.880 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(N)=O)C1CCOCC1 ZINC000176874454 655258453 /nfs/dbraw/zinc/25/84/53/655258453.db2.gz UFCCEKVHVSAWJA-YGRLFVJLSA-N 0 0 389.279 2.548 10 0 GFAERN Cc1cnn(CCNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c1 ZINC000117808481 655268308 /nfs/dbraw/zinc/26/83/08/655268308.db2.gz FDGKUDAZDFYRBR-ZDUSSCGKSA-N 0 0 381.263 2.668 10 0 GFAERN Cc1cnn(CCNC(=O)c2c(C)c3cc(Br)ccc3oc2=O)c1 ZINC000119082640 655289335 /nfs/dbraw/zinc/28/93/35/655289335.db2.gz WUPAUEJOYFFAQC-UHFFFAOYSA-N 0 0 390.237 2.799 10 0 GFAERN COc1ccc(Br)c(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000177818071 655289728 /nfs/dbraw/zinc/28/97/28/655289728.db2.gz WDIDZXHRWJQFAM-LRDDRELGSA-N 0 0 398.301 2.642 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)NCCc3ccc(Cl)nc3)CC2)s1 ZINC000119221727 655293662 /nfs/dbraw/zinc/29/36/62/655293662.db2.gz IBYLHLJNWMAJGR-UHFFFAOYSA-N 0 0 379.917 2.570 10 0 GFAERN C[C@@H](NC(=O)NCCc1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000178754266 655309425 /nfs/dbraw/zinc/30/94/25/655309425.db2.gz RFVSLPUVAUSCCJ-GFCCVEGCSA-N 0 0 392.301 2.980 10 0 GFAERN C[C@@H]1C[C@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC(C)(C)C1 ZINC000180161141 655323049 /nfs/dbraw/zinc/32/30/49/655323049.db2.gz SKQVRISMXKLGOO-OCCSQVGLSA-N 0 0 380.501 2.829 10 0 GFAERN CC(=O)c1cc(S(=O)(=O)N2CCS[C@@H](C)C2)ccc1Br ZINC000180266049 655324766 /nfs/dbraw/zinc/32/47/66/655324766.db2.gz OSTCPJRFKVDZKX-VIFPVBQESA-N 0 0 378.313 2.778 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000120154128 655329428 /nfs/dbraw/zinc/32/94/28/655329428.db2.gz AJFLNLUCQGSLKG-SMDDNHRTSA-N 0 0 393.285 2.942 10 0 GFAERN Cc1nc(Br)ccc1NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000181345236 655335542 /nfs/dbraw/zinc/33/55/42/655335542.db2.gz PPYNDMHRFRKKKT-SNVBAGLBSA-N 0 0 379.262 2.963 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1cc(Br)ccc1F ZINC000183180519 655349601 /nfs/dbraw/zinc/34/96/01/655349601.db2.gz RRNWNTNQUJJMQV-LBPRGKRZSA-N 0 0 394.262 2.698 10 0 GFAERN CCN(CC)S(=O)(=O)CC(=O)O[C@@H](C)c1ccccc1Br ZINC000184713961 655359086 /nfs/dbraw/zinc/35/90/86/655359086.db2.gz JDKSQKGMWMHTTP-NSHDSACASA-N 0 0 378.288 2.725 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)NOCc3ccc(F)cc3Br)C2)cn1 ZINC000188534588 655380451 /nfs/dbraw/zinc/38/04/51/655380451.db2.gz KICZOHLYFHPKTD-LLVKDONJSA-N 0 0 397.248 2.952 10 0 GFAERN CCOC[C@H](C)OC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000190792336 655394744 /nfs/dbraw/zinc/39/47/44/655394744.db2.gz ZDZNLPJBJORWHG-JTQLQIEISA-N 0 0 376.222 2.676 10 0 GFAERN CN(Cc1ccc(Cl)nc1)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000193029144 655407953 /nfs/dbraw/zinc/40/79/53/655407953.db2.gz HTQUWWCBYSBXFI-AWEZNQCLSA-N 0 0 379.869 2.795 10 0 GFAERN COc1cc(Br)ccc1CN1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263516832 655452329 /nfs/dbraw/zinc/45/23/29/655452329.db2.gz PBRMIOVQUIZUPC-HNNXBMFYSA-N 0 0 385.302 2.829 10 0 GFAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1c[nH]nc1I ZINC000895568101 663519353 /nfs/dbraw/zinc/51/93/53/663519353.db2.gz KDHGDTJICNFPTP-BQBZGAKWSA-N 0 0 387.143 2.865 10 0 GFAERN CN1CCN(C(=O)c2ccnc(Cl)c2Cl)C[C@H]1c1nc(C2CC2)no1 ZINC000908096424 664082721 /nfs/dbraw/zinc/08/27/21/664082721.db2.gz NUEOJNWYKIQVGT-NSHDSACASA-N 0 0 382.251 2.778 10 0 GFAERN C[C@H](C(=O)N1CCC(=O)C[C@@H]1C1CC1)N1C(=S)N=NC1c1cccs1 ZINC000912191207 664275192 /nfs/dbraw/zinc/27/51/92/664275192.db2.gz VTYQPNOKGFKXFP-ZWNOBZJWSA-N 0 0 376.507 2.826 10 0 GFAERN Cc1nsc(N2CCN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC2)n1 ZINC000121362943 677398969 /nfs/dbraw/zinc/39/89/69/677398969.db2.gz IXYWHQWLRKGGGK-HNNXBMFYSA-N 0 0 377.901 2.815 10 0 GFAERN Cc1nc([C@H](Cc2ccsc2)NC(=O)CCN2CCOCC2)sc1C ZINC000019559741 210263342 /nfs/dbraw/zinc/26/33/42/210263342.db2.gz VEEFKAPUNMBUCA-INIZCTEOSA-N 0 0 379.551 2.944 10 0 GFAERN Cc1csc(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 ZINC000014975125 210138367 /nfs/dbraw/zinc/13/83/67/210138367.db2.gz ISBZYDNEIVPCHC-HNNXBMFYSA-N 0 0 375.469 2.688 10 0 GFAERN CC1(C)C(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@@H](OCC3CC3)C2)C1(C)C ZINC000014530521 210119238 /nfs/dbraw/zinc/11/92/38/210119238.db2.gz LJFMEWFBMZSXHQ-GOSISDBHSA-N 0 0 399.535 2.730 10 0 GFAERN NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CO)cc2)cc1 ZINC000013761818 210090071 /nfs/dbraw/zinc/09/00/71/210090071.db2.gz ICRSYPPLGADZKA-UHFFFAOYSA-N 0 0 397.378 2.698 10 0 endogenous,world GFAERN O=C(NCc1cccs1)[C@@H]1CC12CCN(C(=O)[C@@H]1Cc3ccccc3O1)CC2 ZINC000012149218 209913163 /nfs/dbraw/zinc/91/31/63/209913163.db2.gz HJZPWQWXTVIISK-HKUYNNGSSA-N 0 0 396.512 2.997 10 0 GFAERN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)no[n+]2[O-] ZINC000005223994 209581076 /nfs/dbraw/zinc/58/10/76/209581076.db2.gz FADVRQBUWRNKAM-UHFFFAOYSA-N 0 0 382.323 2.607 10 0 GFAERN Cc1ccc2c(c1)OCC(=O)N2Cc1nc(C(=O)NCc2cccnc2)cs1 ZINC000004630823 209504182 /nfs/dbraw/zinc/50/41/82/209504182.db2.gz HOKOHLDWAXHIOI-UHFFFAOYSA-N 0 0 394.456 2.702 10 0 GFAERN CN(Cc1ccccc1)S(=O)(=O)[C@@H]1CON(C)[C@H]1c1ccnc2ccccc21 ZINC000034739575 209248967 /nfs/dbraw/zinc/24/89/67/209248967.db2.gz BVFSORKNXIZWFH-RTWAWAEBSA-N 0 0 397.500 2.983 10 0 GFAERN CCCn1c2[nH]c(C=Cc3cc(OC)cc(OC)c3)nc2c(=O)n(CCC)c1=O ZINC000013827007 209236103 /nfs/dbraw/zinc/23/61/03/209236103.db2.gz IFYQMQURNXKFLL-BQYQJAHWSA-N 0 0 398.463 2.894 10 0 GFAERN CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 ZINC000005835188 209231477 /nfs/dbraw/zinc/23/14/77/209231477.db2.gz IYNANDLXMWZGBU-UHFFFAOYSA-N 0 0 378.480 2.928 10 0 GFAERN CN1C(=O)c2cccc3c2c1c(Br)cc3S(=O)(=O)N1CCCC1 ZINC000035686193 209182330 /nfs/dbraw/zinc/18/23/30/209182330.db2.gz KVTDMUNOXHIGQK-UHFFFAOYSA-N 0 0 395.278 2.977 10 0 GFAERN Cc1c2nc(C)nc(Nc3ccc(C(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2nn1C ZINC000041070261 211392398 /nfs/dbraw/zinc/39/23/98/211392398.db2.gz OHOWHKLTTNFDAB-CHWSQXEVSA-N 0 0 394.479 2.973 10 0 GFAERN CCOc1ccc(CC(=O)N2C[C@H](C(=O)NC)C3(CCCC3)C2)cc1OCC ZINC000096310108 211333646 /nfs/dbraw/zinc/33/36/46/211333646.db2.gz NCUDEIXYRKWIFE-QGZVFWFLSA-N 0 0 388.508 2.791 10 0 GFAERN COc1ccc(CS(=O)(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000095076378 211218988 /nfs/dbraw/zinc/21/89/88/211218988.db2.gz BQQKFNDBZVEALS-INIZCTEOSA-N 0 0 398.525 2.856 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2cnc3ccccc3n2)C1 ZINC000095084846 211218903 /nfs/dbraw/zinc/21/89/03/211218903.db2.gz YWCFBOWZHKVPRQ-ZDUSSCGKSA-N 0 0 377.466 2.803 10 0 GFAERN CC(=O)N1CCc2c(nc(N(C)C)nc2N[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000077437875 211134243 /nfs/dbraw/zinc/13/42/43/211134243.db2.gz XUTSKKKZNFMJJT-NSHDSACASA-N 0 0 375.423 2.899 10 0 GFAERN CCN(CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000072005803 211068332 /nfs/dbraw/zinc/06/83/32/211068332.db2.gz ZOBUCKLEXIQBMO-LLVKDONJSA-N 0 0 397.324 2.549 10 0 GFAERN COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNc1ncnc2[nH]ccc21 ZINC000071762628 211060502 /nfs/dbraw/zinc/06/05/02/211060502.db2.gz BBKAPPCYLQMMRB-UHFFFAOYSA-N 0 0 378.436 2.872 10 0 GFAERN COc1ccccc1CNC(=O)c1cn2c3c(ccc(Cl)c3c1=O)OCC2 ZINC000020926863 210367841 /nfs/dbraw/zinc/36/78/41/210367841.db2.gz GRRJQKBABFGFRJ-UHFFFAOYSA-N 0 0 384.819 2.986 10 0 GFAERN COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000020370613 210332360 /nfs/dbraw/zinc/33/23/60/210332360.db2.gz HTSVXOWHQHGPRX-OAHLLOKOSA-N 0 0 381.432 2.954 10 0 GFAERN Nc1nnc(CCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)s1 ZINC000020202862 210321872 /nfs/dbraw/zinc/32/18/72/210321872.db2.gz ZRNKSOUGTJZYFO-UHFFFAOYSA-N 0 0 381.461 2.735 10 0 GFAERN CCc1cc(N2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)ncn1 ZINC000077408140 136172147 /nfs/dbraw/zinc/17/21/47/136172147.db2.gz JMBOOTIJQWUAKJ-NRFANRHFSA-N 0 0 380.496 2.547 10 0 GFAERN CCCc1cncnc1N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091254787 136176137 /nfs/dbraw/zinc/17/61/37/136176137.db2.gz LLSIIYSBDKQPMO-NRFANRHFSA-N 0 0 382.512 2.604 10 0 GFAERN CS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2s1 ZINC000033298966 551134090 /nfs/dbraw/zinc/13/40/90/551134090.db2.gz VLVQVHPPFHXBGV-UHFFFAOYSA-N 0 0 382.488 2.642 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000048803782 551157678 /nfs/dbraw/zinc/15/76/78/551157678.db2.gz RPENHFBSFHNZCD-VIFPVBQESA-N 0 0 380.231 2.908 10 0 GFAERN O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCN2CCCC[C@H]2C1 ZINC000106635310 551201240 /nfs/dbraw/zinc/20/12/40/551201240.db2.gz QQUPWLRZEZTYSZ-KRWDZBQOSA-N 0 0 389.297 2.945 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2nnc(-c3ccsc3)s2)C[C@@H]1C ZINC000117448258 551213787 /nfs/dbraw/zinc/21/37/87/551213787.db2.gz PKXXBJKVAMFOKP-LBPRGKRZSA-N 0 0 381.527 2.841 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)c2[nH]c3ccccc3c2Br)n1 ZINC000120961912 551223597 /nfs/dbraw/zinc/22/35/97/551223597.db2.gz ZCVHLLAARMMZOO-GFCCVEGCSA-N 0 0 391.225 2.836 10 0 GFAERN Cc1cnn(CCNC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)c1 ZINC000121450039 551234670 /nfs/dbraw/zinc/23/46/70/551234670.db2.gz CZEDAHDUCGWAJT-ZDUSSCGKSA-N 0 0 378.270 2.979 10 0 GFAERN O=S(=O)(c1ccc(Br)s1)N1CCC(c2cc[nH]n2)CC1 ZINC000122486920 551298758 /nfs/dbraw/zinc/29/87/58/551298758.db2.gz PPDUNOIXUOZSFN-UHFFFAOYSA-N 0 0 376.301 2.802 10 0 GFAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000122718180 551301270 /nfs/dbraw/zinc/30/12/70/551301270.db2.gz WUXDSLILSMVCAC-RYUDHWBXSA-N 0 0 375.922 2.939 10 0 GFAERN C[C@H](NC(=O)N1CCN(C(=O)N(C)C)CC1)c1ccccc1Br ZINC000126732483 551332323 /nfs/dbraw/zinc/33/23/23/551332323.db2.gz IGHASEFNJVOHRB-LBPRGKRZSA-N 0 0 383.290 2.519 10 0 GFAERN CCc1ccc([C@H](C)NC(=O)NCc2ccc(S(=O)(=O)NC)s2)cc1 ZINC000126950978 551334731 /nfs/dbraw/zinc/33/47/31/551334731.db2.gz NPEQKYOYUBMBGC-LBPRGKRZSA-N 0 0 381.523 2.779 10 0 GFAERN O=C(N[C@H]1CCc2ncnn2C1)N(Cc1csc(Br)c1)C1CC1 ZINC000127678203 551342919 /nfs/dbraw/zinc/34/29/19/551342919.db2.gz YLTIFUVRJLQGIY-NSHDSACASA-N 0 0 396.314 2.791 10 0 GFAERN COCc1c(Br)cccc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000127744751 551344146 /nfs/dbraw/zinc/34/41/46/551344146.db2.gz DAGUUBLVHIVHQK-SNVBAGLBSA-N 0 0 381.226 2.946 10 0 GFAERN COc1ccsc1S(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000128747467 551352037 /nfs/dbraw/zinc/35/20/37/551352037.db2.gz AAXGIOKJJUFABH-GFCCVEGCSA-N 0 0 382.511 2.600 10 0 GFAERN CCc1ccc([C@H]2CCCCN2C(=O)CNS(=O)(=O)c2cccs2)o1 ZINC000129392132 551356746 /nfs/dbraw/zinc/35/67/46/551356746.db2.gz URAULNZAZRFDDF-CQSZACIVSA-N 0 0 382.507 2.936 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1ccc(Br)s1)CC2 ZINC000133829360 551384137 /nfs/dbraw/zinc/38/41/37/551384137.db2.gz WRKCZYBAKIGTFF-SNVBAGLBSA-N 0 0 383.315 2.899 10 0 GFAERN Cc1cnn(CCNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c1 ZINC000135653468 551388369 /nfs/dbraw/zinc/38/83/69/551388369.db2.gz JWNJKPODOIFNID-KRWDZBQOSA-N 0 0 391.313 2.907 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2cc(Br)ccc2F)C[C@@H]1C ZINC000151156736 551407981 /nfs/dbraw/zinc/40/79/81/551407981.db2.gz IYXXTOSSBHOZFD-ZDUSSCGKSA-N 0 0 387.293 2.700 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000153038116 551445411 /nfs/dbraw/zinc/44/54/11/551445411.db2.gz WLUWWHJTJZCUSZ-GFCCVEGCSA-N 0 0 375.694 2.631 10 0 GFAERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3cc(C(=O)OC)co3)C2)n1 ZINC000153109243 551447000 /nfs/dbraw/zinc/44/70/00/551447000.db2.gz AYWLIJRUAWVFPM-LLVKDONJSA-N 0 0 384.479 2.653 10 0 GFAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000153676103 551458012 /nfs/dbraw/zinc/45/80/12/551458012.db2.gz JXTQSUHTUDRWFU-SFHVURJKSA-N 0 0 379.503 2.836 10 0 GFAERN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@@H](C)c1ccccc1Br ZINC000155016022 551488908 /nfs/dbraw/zinc/48/89/08/551488908.db2.gz PFDCEDZPHDGQAR-WFASDCNBSA-N 0 0 385.302 2.804 10 0 GFAERN Cc1ccc(Br)c(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000155219580 551494627 /nfs/dbraw/zinc/49/46/27/551494627.db2.gz MKBHRBFADCCKGH-ZDUSSCGKSA-N 0 0 375.270 2.946 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000155225041 551494943 /nfs/dbraw/zinc/49/49/43/551494943.db2.gz SNVBIEOKKVNLJL-TZMCWYRMSA-N 0 0 380.432 2.625 10 0 GFAERN C[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1cccc(Br)c1 ZINC000155633635 551504891 /nfs/dbraw/zinc/50/48/91/551504891.db2.gz XQKWGAZEXLPBLC-GWCFXTLKSA-N 0 0 391.331 2.590 10 0 GFAERN CO[C@]1(C)C[C@H](N(C)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1(C)C ZINC000156165348 551515715 /nfs/dbraw/zinc/51/57/15/551515715.db2.gz AJHPUCNBDUBRGC-BLLLJJGKSA-N 0 0 386.290 2.815 10 0 GFAERN Cc1cccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)c1Br ZINC000156218108 551517536 /nfs/dbraw/zinc/51/75/36/551517536.db2.gz BSEKDSIBWIITIQ-LBPRGKRZSA-N 0 0 384.299 2.669 10 0 GFAERN COc1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)c(I)c1 ZINC000157438028 551537973 /nfs/dbraw/zinc/53/79/73/551537973.db2.gz RCAXFRLGZDBDFM-UWVGGRQHSA-N 0 0 375.206 2.549 10 0 GFAERN OC[C@@H](O)CSCc1coc(-c2ccc(I)cc2)n1 ZINC000157680386 551541163 /nfs/dbraw/zinc/54/11/63/551541163.db2.gz DJHBFWXJGOMNII-GFCCVEGCSA-N 0 0 391.230 2.533 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)Cc2cccc(Br)c2)C1 ZINC000157765386 551542442 /nfs/dbraw/zinc/54/24/42/551542442.db2.gz RPLHJEMLPWJRJX-TZMCWYRMSA-N 0 0 383.286 2.975 10 0 GFAERN COC[C@H](NC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1)C1CC1 ZINC000158391100 551551051 /nfs/dbraw/zinc/55/10/51/551551051.db2.gz LHDVLIROSUSMHX-GJZGRUSLSA-N 0 0 399.285 2.778 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](C)c3ccc(Br)cc3)CCO2)c1 ZINC000162623916 551610201 /nfs/dbraw/zinc/61/02/01/551610201.db2.gz BAABTEBDUVZYDU-PBHICJAKSA-N 0 0 392.297 2.985 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1OCC ZINC000163945359 551622734 /nfs/dbraw/zinc/62/27/34/551622734.db2.gz UNDHEHHQTDYSHW-HNNXBMFYSA-N 0 0 388.917 2.559 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)CCCc3ccccc3Br)CCO2)[nH]1 ZINC000164066005 551624289 /nfs/dbraw/zinc/62/42/89/551624289.db2.gz SZLJKYUPZJQTIL-OAHLLOKOSA-N 0 0 393.285 2.798 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000170823775 551641047 /nfs/dbraw/zinc/64/10/47/551641047.db2.gz ZGISZAGNHBHEGT-WKEGUHRASA-N 0 0 376.048 2.675 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000170823434 551641167 /nfs/dbraw/zinc/64/11/67/551641167.db2.gz KDDZBKSVKTWUDN-IMTBSYHQSA-N 0 0 376.048 2.675 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)c(Br)c1 ZINC000171396059 551654708 /nfs/dbraw/zinc/65/47/08/551654708.db2.gz ZAUVVOUEBUBETQ-HNNXBMFYSA-N 0 0 391.269 2.793 10 0 GFAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)nc3Cl)C2)no1 ZINC000171429182 551655599 /nfs/dbraw/zinc/65/55/99/551655599.db2.gz IFEHCCPGIHTBMY-SNVBAGLBSA-N 0 0 391.280 2.723 10 0 GFAERN Cc1nc(C[C@H]2CCCN(C(=O)Nc3nnc(C(F)(F)F)s3)C2)no1 ZINC000171577991 551658367 /nfs/dbraw/zinc/65/83/67/551658367.db2.gz CPHVFYFPNSCBKW-MRVPVSSYSA-N 0 0 376.364 2.735 10 0 GFAERN COc1ccc(CCC(=O)N2CCC[C@@H](n3cncn3)C2)cc1Br ZINC000171664526 551660228 /nfs/dbraw/zinc/66/02/28/551660228.db2.gz MBRBJOAPDUYRFU-CQSZACIVSA-N 0 0 393.285 2.846 10 0 GFAERN O=C(c1n[nH]c2ccc(Br)cc21)N1CCO[C@H](c2nccs2)C1 ZINC000171854621 551664992 /nfs/dbraw/zinc/66/49/92/551664992.db2.gz HQZBCNZVGKRRGJ-LBPRGKRZSA-N 0 0 393.266 2.996 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3ccc(Br)cc3F)CC2)no1 ZINC000171863573 551665686 /nfs/dbraw/zinc/66/56/86/551665686.db2.gz HBOXFWUNDLUIBG-UHFFFAOYSA-N 0 0 397.248 2.628 10 0 GFAERN CNC(=O)c1cc(NC(=O)N2CCO[C@@H](c3nccs3)C2)ccc1Cl ZINC000171890691 551666434 /nfs/dbraw/zinc/66/64/34/551666434.db2.gz CTVLPKUVDCLLEU-CYBMUJFWSA-N 0 0 380.857 2.762 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Cc1ccc(Br)s1)CC2 ZINC000172121649 551670897 /nfs/dbraw/zinc/67/08/97/551670897.db2.gz MLRRYURCEUNMQS-SNVBAGLBSA-N 0 0 383.315 2.899 10 0 GFAERN CC(=O)NC[C@H]1CN(C(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)CCO1 ZINC000172278527 551675025 /nfs/dbraw/zinc/67/50/25/551675025.db2.gz RJYIPKBZPBKPMO-KOLCDFICSA-N 0 0 392.258 2.740 10 0 GFAERN C[C@H](C(=O)N1CCSC[C@@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000172522293 551680842 /nfs/dbraw/zinc/68/08/42/551680842.db2.gz MLXWEZDMRHDSPR-DTWKUNHWSA-N 0 0 387.288 2.942 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000172665578 551684601 /nfs/dbraw/zinc/68/46/01/551684601.db2.gz FZGSIXBXEDKHMT-BXKDBHETSA-N 0 0 376.787 2.547 10 0 GFAERN O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000172758318 551686263 /nfs/dbraw/zinc/68/62/63/551686263.db2.gz SGWNTBHENFFBIF-LLVKDONJSA-N 0 0 393.698 2.959 10 0 GFAERN CC(C)c1nc([C@H]2CCCN2C(=O)c2c[nH]c(=O)c(Br)c2)no1 ZINC000173085195 551694949 /nfs/dbraw/zinc/69/49/49/551694949.db2.gz RJGYBVJJIJISRC-LLVKDONJSA-N 0 0 381.230 2.621 10 0 GFAERN C[C@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccc(Br)s1 ZINC000173334024 552083303 /nfs/dbraw/zinc/08/33/03/552083303.db2.gz NVRWSOVFZBEBAY-RYUDHWBXSA-N 0 0 384.299 2.738 10 0 GFAERN C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@H]1N1CCOCC1 ZINC000173395714 552084955 /nfs/dbraw/zinc/08/49/55/552084955.db2.gz BNXPOUUEOBDTPP-YVEFUNNKSA-N 0 0 392.297 2.723 10 0 GFAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCC(C(F)(F)F)CC1 ZINC000173591689 552088997 /nfs/dbraw/zinc/08/89/97/552088997.db2.gz BZROYMQMPFDRJW-CYBMUJFWSA-N 0 0 376.400 2.889 10 0 GFAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c(=O)c(Br)c2)C12CCCC2 ZINC000173893435 552095139 /nfs/dbraw/zinc/09/51/39/552095139.db2.gz NUTHRSBJVUVABC-KGLIPLIRSA-N 0 0 383.286 2.947 10 0 GFAERN CC(C)n1cc(Br)cc1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173888006 552095340 /nfs/dbraw/zinc/09/53/40/552095340.db2.gz MDOOZIKUBCBLQZ-CZUORRHYSA-N 0 0 384.318 2.624 10 0 GFAERN Cc1oc(C(=O)N2CCCC[C@H]2c2nccs2)cc1S(=O)(=O)N(C)C ZINC000176615568 552142489 /nfs/dbraw/zinc/14/24/89/552142489.db2.gz FGZADRIMGJMIJC-LBPRGKRZSA-N 0 0 383.495 2.662 10 0 GFAERN COc1cc(Br)c(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)cc1Cl ZINC000176829701 552146988 /nfs/dbraw/zinc/14/69/88/552146988.db2.gz HJXSRFICYJHNMF-LDYMZIIASA-N 0 0 398.706 2.957 10 0 GFAERN C[C@@H]1CN([C@@H](CNC(=O)NCCc2nccs2)c2cccs2)CCO1 ZINC000178621126 552173056 /nfs/dbraw/zinc/17/30/56/552173056.db2.gz WMFNDRGFUANECZ-KGLIPLIRSA-N 0 0 380.539 2.508 10 0 GFAERN Cc1ncc(CN2CCN(C[C@H](O)COc3ccccc3Cl)CC2)s1 ZINC000178607841 552173109 /nfs/dbraw/zinc/17/31/09/552173109.db2.gz CUPOVGMOZFMSHM-HNNXBMFYSA-N 0 0 381.929 2.662 10 0 GFAERN C[C@H](COCc1ccccc1)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000178963580 552180881 /nfs/dbraw/zinc/18/08/81/552180881.db2.gz VGLYVRSTFXHZNC-GFCCVEGCSA-N 0 0 394.269 2.875 10 0 GFAERN O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCN2CCCC[C@@H]2C1 ZINC000179374704 552191251 /nfs/dbraw/zinc/19/12/51/552191251.db2.gz GBYFZUKMDYRVKU-MRXNPFEDSA-N 0 0 389.297 2.945 10 0 GFAERN C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000179482593 552194425 /nfs/dbraw/zinc/19/44/25/552194425.db2.gz JCGREXXSQDMDIV-LBPRGKRZSA-N 0 0 392.253 2.504 10 0 GFAERN Cc1cnc(CCN(C)C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000179495913 552194942 /nfs/dbraw/zinc/19/49/42/552194942.db2.gz QLKPKHCBAXUWEH-AWEZNQCLSA-N 0 0 379.507 2.554 10 0 GFAERN COCCCS(=O)(=O)NCCN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179542163 552196071 /nfs/dbraw/zinc/19/60/71/552196071.db2.gz WEZGFRCZTCXRCI-JTQLQIEISA-N 0 0 387.304 2.739 10 0 GFAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000180235534 552218460 /nfs/dbraw/zinc/21/84/60/552218460.db2.gz FQPUWFLTVNBUPZ-JQWIXIFHSA-N 0 0 394.324 2.778 10 0 GFAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)[C@H](C)C2 ZINC000180591893 552230713 /nfs/dbraw/zinc/23/07/13/552230713.db2.gz JHFJPJLWGSQAKF-FZKQIMNGSA-N 0 0 379.503 2.610 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)[C@H](C)C2 ZINC000181115076 552246838 /nfs/dbraw/zinc/24/68/38/552246838.db2.gz CQDXKTHDTGFTCO-PBFPGSCMSA-N 0 0 378.519 2.773 10 0 GFAERN C[C@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nc(-c2cccs2)no1 ZINC000181565726 552261274 /nfs/dbraw/zinc/26/12/74/552261274.db2.gz MGJPODKIOYHMPQ-QWRGUYRKSA-N 0 0 378.479 2.857 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)c1sccc1S(=O)(=O)N(C)C)[C@@H](C)C2 ZINC000182230099 552279149 /nfs/dbraw/zinc/27/91/49/552279149.db2.gz ACHRAHMHWJKGGC-BLLLJJGKSA-N 0 0 378.519 2.970 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)[C@H](C)C(=O)Nc2cccc(Cl)c2)n1C ZINC000182388929 552282547 /nfs/dbraw/zinc/28/25/47/552282547.db2.gz VRYWYSYQKTZAQE-LLVKDONJSA-N 0 0 384.889 2.534 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)Nc2cncc(Br)c2)C1 ZINC000183269333 552304258 /nfs/dbraw/zinc/30/42/58/552304258.db2.gz RQJOVCIMAQFEJF-NSHDSACASA-N 0 0 379.262 2.867 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3cccc(Br)c3Cl)CCO2)[nH]1 ZINC000184074642 552326927 /nfs/dbraw/zinc/32/69/27/552326927.db2.gz BKXYYLWKMGGLBN-LLVKDONJSA-N 0 0 385.649 2.743 10 0 GFAERN C[C@H]1CN(C(=O)c2cccc(Br)c2Cl)C[C@H]1N1CCOCC1 ZINC000184077489 552326991 /nfs/dbraw/zinc/32/69/91/552326991.db2.gz NJLXHBSYVWGDDN-SMDDNHRTSA-N 0 0 387.705 2.895 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cnc(Cl)c(Cl)c2)C12CCOCC2 ZINC000185154659 552355845 /nfs/dbraw/zinc/35/58/45/552355845.db2.gz SKIBFBDNKOZBPN-QWHCGFSZSA-N 0 0 395.308 2.641 10 0 GFAERN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186628618 552392789 /nfs/dbraw/zinc/39/27/89/552392789.db2.gz HXVOGYKJDMDCRM-LLVKDONJSA-N 0 0 389.279 2.768 10 0 GFAERN COc1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)nc1Br ZINC000187610444 552420373 /nfs/dbraw/zinc/42/03/73/552420373.db2.gz CTCIBXAOUOZDAL-RYUDHWBXSA-N 0 0 397.294 2.762 10 0 GFAERN CC(C)(C)c1nnc(NC(=O)C(=O)N2CCCC[C@H]2c2nccs2)s1 ZINC000188118516 552435723 /nfs/dbraw/zinc/43/57/23/552435723.db2.gz UTVNSGQMGAIKMJ-JTQLQIEISA-N 0 0 379.511 2.984 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccc(F)cc3Br)CCO2)c1 ZINC000188157705 552436996 /nfs/dbraw/zinc/43/69/96/552436996.db2.gz CUUBZYHWYOUMRS-HNNXBMFYSA-N 0 0 396.260 2.563 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)Nc2cccc(Br)n2)C12CCOCC2 ZINC000188587933 552449230 /nfs/dbraw/zinc/44/92/30/552449230.db2.gz RZKLPPAXEXRAQQ-NEPJUHHUSA-N 0 0 384.274 2.940 10 0 GFAERN O=S(=O)(c1ccc(F)c(F)c1F)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188881284 552457399 /nfs/dbraw/zinc/45/73/99/552457399.db2.gz DUTVNRDULFQFFT-QWRGUYRKSA-N 0 0 377.409 2.562 10 0 GFAERN O=S(=O)(c1ccc(F)c(Cl)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188883770 552457921 /nfs/dbraw/zinc/45/79/21/552457921.db2.gz IZONWHZONLJBBU-AAEUAGOBSA-N 0 0 375.874 2.937 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000188947262 552459283 /nfs/dbraw/zinc/45/92/83/552459283.db2.gz FPKZTDLLXUKUJM-SNVBAGLBSA-N 0 0 396.310 2.728 10 0 GFAERN COC(=O)C[C@H](NC(=O)CCc1c[nH]cn1)c1cccc(Br)c1 ZINC000189217673 552466066 /nfs/dbraw/zinc/46/60/66/552466066.db2.gz CJMJDIRQQMPLQI-AWEZNQCLSA-N 0 0 380.242 2.525 10 0 GFAERN CCOc1ccc(NC(=O)NC[C@H](C)N2CCOCC2)cc1Br ZINC000189489086 552473068 /nfs/dbraw/zinc/47/30/68/552473068.db2.gz WIXPTURHSKSSLI-LBPRGKRZSA-N 0 0 386.290 2.690 10 0 GFAERN O=C(NC1CN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1)C1CC1 ZINC000189509098 552473649 /nfs/dbraw/zinc/47/36/49/552473649.db2.gz QFWONCCIUPQIKX-UHFFFAOYSA-N 0 0 391.187 2.819 10 0 GFAERN CCOCCN1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@H]1C ZINC000189659129 552476888 /nfs/dbraw/zinc/47/68/88/552476888.db2.gz DNXQMOVSGZKNMZ-GFCCVEGCSA-N 0 0 382.917 2.974 10 0 GFAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(Br)nc2C)C1 ZINC000190137243 552488303 /nfs/dbraw/zinc/48/83/03/552488303.db2.gz VBHGAGACVPYRGB-ZYHUDNBSSA-N 0 0 396.245 2.838 10 0 GFAERN C[C@@H]1CN(C(=O)c2nc(Br)ccc2Br)C[C@@H](C)O1 ZINC000190213907 552490118 /nfs/dbraw/zinc/49/01/18/552490118.db2.gz LSUAKZMLMUPTMP-HTQZYQBOSA-N 0 0 378.064 2.856 10 0 GFAERN C[C@@H](CNC(=O)Nc1cc(F)cc(F)c1Br)N1CCOCC1 ZINC000190627492 552504057 /nfs/dbraw/zinc/50/40/57/552504057.db2.gz MDULBZDFTMEXSS-VIFPVBQESA-N 0 0 378.217 2.570 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCS1 ZINC000191191426 552521229 /nfs/dbraw/zinc/52/12/29/552521229.db2.gz HNYCQNVFGPASKK-SSDOTTSWSA-N 0 0 379.226 2.630 10 0 GFAERN CCn1cnnc1C1CCN(C(=O)c2nc(Br)ccc2C)CC1 ZINC000191266537 552523286 /nfs/dbraw/zinc/52/32/86/552523286.db2.gz OKLKHDUZBCTFCW-UHFFFAOYSA-N 0 0 378.274 2.784 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)c3ccc(Br)cc3OC)CCO2)cn1 ZINC000191799401 552538575 /nfs/dbraw/zinc/53/85/75/552538575.db2.gz VBCCYFDQPUCVLU-INIZCTEOSA-N 0 0 394.269 2.888 10 0 GFAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000192075254 552549631 /nfs/dbraw/zinc/54/96/31/552549631.db2.gz RUYPLRQQFACFET-BXKDBHETSA-N 0 0 375.252 2.608 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3ncccc3Br)CC2)s1 ZINC000193219375 552986683 /nfs/dbraw/zinc/98/66/83/552986683.db2.gz SAHUZMPTZLGLLX-UHFFFAOYSA-N 0 0 381.299 2.567 10 0 GFAERN CCOC(=O)[C@H](NC(=O)CCn1c(C)csc1=O)c1ccc(Cl)cc1 ZINC000193867618 553005240 /nfs/dbraw/zinc/00/52/40/553005240.db2.gz SIHFPYZTMHHUBB-OAHLLOKOSA-N 0 0 382.869 2.682 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3c(F)cc(F)cc3F)CCO2)n1 ZINC000193951594 553007749 /nfs/dbraw/zinc/00/77/49/553007749.db2.gz RMVJNVVDKOGKLF-LBPRGKRZSA-N 0 0 378.397 2.631 10 0 GFAERN C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1)c1ccc(Cl)s1 ZINC000194088931 553011842 /nfs/dbraw/zinc/01/18/42/553011842.db2.gz ZXRMNELIAUWPBL-SECBINFHSA-N 0 0 388.902 2.930 10 0 GFAERN CC(C)n1ccnc1C[S@@](=O)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000194262889 553015850 /nfs/dbraw/zinc/01/58/50/553015850.db2.gz WKSFCMTTXKIWLV-RUZDIDTESA-N 0 0 383.901 2.561 10 0 GFAERN CCOC(=O)[C@@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000194357464 553018847 /nfs/dbraw/zinc/01/88/47/553018847.db2.gz LALFNXOHIUUGFX-MFKMUULPSA-N 0 0 380.794 2.943 10 0 GFAERN C[C@@H](NC(=O)NCCc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000195273802 553043815 /nfs/dbraw/zinc/04/38/15/553043815.db2.gz DQCSXXMJYRCNQF-GFCCVEGCSA-N 0 0 381.885 2.590 10 0 GFAERN O=S(=O)(c1ccc(F)cc1Br)N1CCO[C@H]2CCCC[C@H]21 ZINC000226936269 553062647 /nfs/dbraw/zinc/06/26/47/553062647.db2.gz QCJMDHHCFCATNZ-OLZOCXBDSA-N 0 0 378.263 2.920 10 0 GFAERN COc1sc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1Br ZINC000245723158 553095655 /nfs/dbraw/zinc/09/56/55/553095655.db2.gz IIPDNCWFGHYWHU-SMDDNHRTSA-N 0 0 375.332 2.672 10 0 GFAERN COc1cc(Br)c(CN2C[C@H](C)[C@H](N3CCOCC3)C2)c(OC)c1 ZINC000245771450 553097146 /nfs/dbraw/zinc/09/71/46/553097146.db2.gz RVJBURGPSBHOTL-SUMWQHHRSA-N 0 0 399.329 2.619 10 0 GFAERN COCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H]1C ZINC000247070989 553117862 /nfs/dbraw/zinc/11/78/62/553117862.db2.gz KSNPPGCXKNSTJB-RRQGHBQHSA-N 0 0 381.314 2.732 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)c2ccc(Br)s2)C[C@H]1C ZINC000247043716 553118005 /nfs/dbraw/zinc/11/80/05/553118005.db2.gz YBOWZPJICVUQOQ-GRYCIOLGSA-N 0 0 375.332 2.528 10 0 GFAERN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247741159 553124969 /nfs/dbraw/zinc/12/49/69/553124969.db2.gz NQKVRMKRNJDNMG-TZMCWYRMSA-N 0 0 383.279 2.918 10 0 GFAERN O[C@@H](COc1ccc(Br)cc1)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000248523250 553130437 /nfs/dbraw/zinc/13/04/37/553130437.db2.gz BZYFSMPDHYTPKF-HIFRSBDPSA-N 0 0 381.274 2.534 10 0 GFAERN O=C1CCCN1C[C@H](O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000248636178 553132756 /nfs/dbraw/zinc/13/27/56/553132756.db2.gz VNXMXXSSBBLGFS-HZPDHXFCSA-N 0 0 385.277 2.708 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248777419 553135156 /nfs/dbraw/zinc/13/51/56/553135156.db2.gz UOHQAQUSEDSABY-QANKJYHBSA-N 0 0 380.282 2.906 10 0 GFAERN COc1ccc(S(=O)(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)c(C)c1F ZINC000249422938 553142763 /nfs/dbraw/zinc/14/27/63/553142763.db2.gz DVFCDUNCYMRWGB-ZIAGYGMSSA-N 0 0 385.482 2.601 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2c(F)cc(Cl)c(C)c2F)C1 ZINC000263129650 553182827 /nfs/dbraw/zinc/18/28/27/553182827.db2.gz XYJPTKWDQISTID-UHFFFAOYSA-N 0 0 375.803 2.986 10 0 GFAERN Cc1nccn1Cc1cccc(CNc2cnn(C)c(=O)c2Br)c1 ZINC000301228906 563397025 /nfs/dbraw/zinc/39/70/25/563397025.db2.gz HQJNJFHHDJIBEK-UHFFFAOYSA-N 0 0 388.269 2.708 10 0 GFAERN Cn1ncc(NCc2ccnc(N3CCCCCC3)c2)c(Br)c1=O ZINC000301225701 563397201 /nfs/dbraw/zinc/39/72/01/563397201.db2.gz FVKQMNCAGSAFGQ-UHFFFAOYSA-N 0 0 392.301 2.930 10 0 GFAERN Cn1ncc(N2CCC[C@@H](COc3ccccc3)C2)c(Br)c1=O ZINC000301285341 563399282 /nfs/dbraw/zinc/39/92/82/563399282.db2.gz MJYSUFULSPNLAV-CYBMUJFWSA-N 0 0 378.270 2.838 10 0 GFAERN O=S1(=O)CCN(CCCNc2ccnc3cc(Br)ccc32)CC1 ZINC000302005237 563418303 /nfs/dbraw/zinc/41/83/03/563418303.db2.gz KTGBUCFWQFRJIY-UHFFFAOYSA-N 0 0 398.326 2.530 10 0 GFAERN COc1ccc(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)c(Cl)c1Cl ZINC000328637929 563462516 /nfs/dbraw/zinc/46/25/16/563462516.db2.gz WCNXWELPYZHODA-SNVBAGLBSA-N 0 0 390.292 2.739 10 0 GFAERN O=C(c1ccc(F)cc1I)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398690579 563533007 /nfs/dbraw/zinc/53/30/07/563533007.db2.gz NRJIXGVYRVQWLX-JBLDHEPKSA-N 0 0 389.208 2.663 10 0 GFAERN Cc1ccc(Br)cc1N1CC[C@H](C(=O)NCc2cccnc2)C1=O ZINC000034696794 570298432 /nfs/dbraw/zinc/29/84/32/570298432.db2.gz DCJWZPSSKSHKEZ-OAHLLOKOSA-N 0 0 388.265 2.822 10 0 GFAERN COc1ccccc1NC(=O)N(C)Cc1nc2cc(C(=O)N(C)C)ccc2n1C ZINC000065008349 570645418 /nfs/dbraw/zinc/64/54/18/570645418.db2.gz ARILBBYXTJXCTN-UHFFFAOYSA-N 0 0 395.463 2.948 10 0 GFAERN COc1ccccc1-c1n[nH]c2c1CN(C(=O)c1c(C)nc3ncccn31)CC2 ZINC000048134966 570655734 /nfs/dbraw/zinc/65/57/34/570655734.db2.gz GEPAWCZBECECLI-UHFFFAOYSA-N 0 0 388.431 2.635 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)c1ccc(=O)[nH]c1)CC2 ZINC000275529746 570695245 /nfs/dbraw/zinc/69/52/45/570695245.db2.gz CSIZZOFBOCDJKL-KRWDZBQOSA-N 0 0 385.489 2.892 10 0 GFAERN O=S(=O)(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1ccc(F)cc1 ZINC000252519073 570729226 /nfs/dbraw/zinc/72/92/26/570729226.db2.gz AWGVPEQBQRKJIJ-GMBSWORKSA-N 0 0 377.437 2.551 10 0 GFAERN COc1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)c2ccccc2)cc1 ZINC000065266662 570769357 /nfs/dbraw/zinc/76/93/57/570769357.db2.gz CMUQEJWQSLXSIR-BJLQDIEVSA-N 0 0 379.460 2.798 10 0 GFAERN C[C@@H]1Cc2ccccc2N1C(=O)c1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000108668458 570990753 /nfs/dbraw/zinc/99/07/53/570990753.db2.gz OXHYDENHFZATGP-CQSZACIVSA-N 0 0 381.457 2.867 10 0 GFAERN C[C@H](C(=O)Nc1ccc(I)cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000025411638 654549626 /nfs/dbraw/zinc/54/96/26/654549626.db2.gz WJILECQLRCQPPE-IJLUTSLNSA-N 0 0 388.249 2.727 10 0 GFAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000047033183 654689102 /nfs/dbraw/zinc/68/91/02/654689102.db2.gz RJFICKHGOOLHDU-GFCCVEGCSA-N 0 0 381.885 2.890 10 0 GFAERN C[C@H](NC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)c1cccs1 ZINC000048768073 654712996 /nfs/dbraw/zinc/71/29/96/654712996.db2.gz ZNHMXVSFDAUNJC-IINYFYTJSA-N 0 0 376.404 2.682 10 0 GFAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(C(C)(C)C)s3)CCO2)c1 ZINC000122012200 654728181 /nfs/dbraw/zinc/72/81/81/654728181.db2.gz URLWBVIDMGFOON-CQSZACIVSA-N 0 0 383.539 2.640 10 0 GFAERN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000123423688 654755621 /nfs/dbraw/zinc/75/56/21/654755621.db2.gz XVKQGJSIIDNCIQ-LLVKDONJSA-N 0 0 377.853 2.714 10 0 GFAERN COC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1Br ZINC000124522153 654777475 /nfs/dbraw/zinc/77/74/75/654777475.db2.gz WOIMHKBVSARBHA-LLVKDONJSA-N 0 0 391.059 2.989 10 0 GFAERN O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126793968 654820625 /nfs/dbraw/zinc/82/06/25/654820625.db2.gz QSPYLORACCINBT-CYBMUJFWSA-N 0 0 381.249 2.661 10 0 GFAERN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1Cl ZINC000128398296 654845837 /nfs/dbraw/zinc/84/58/37/654845837.db2.gz MSFGXXICULDSHG-CQSZACIVSA-N 0 0 380.901 2.728 10 0 GFAERN CN(Cc1cc(Br)ccc1F)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000063729571 654856747 /nfs/dbraw/zinc/85/67/47/654856747.db2.gz SHWUZUMNVRFPKZ-OKILXGFUSA-N 0 0 381.245 2.929 10 0 GFAERN COC(=O)C[C@H](NC(=O)NCc1cc(C)no1)c1cccc(Br)c1 ZINC000064226930 654864064 /nfs/dbraw/zinc/86/40/64/654864064.db2.gz LGVBQPMRFRUPMH-AWEZNQCLSA-N 0 0 396.241 2.849 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000130164308 654881605 /nfs/dbraw/zinc/88/16/05/654881605.db2.gz SILYHBFMCIOLQL-AWEZNQCLSA-N 0 0 375.694 2.631 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1ccccc1Br)CC2 ZINC000133994160 654979943 /nfs/dbraw/zinc/97/99/43/654979943.db2.gz SSKOYRCPLSSBNF-CYBMUJFWSA-N 0 0 377.286 2.838 10 0 GFAERN COC(=O)c1coc(S(=O)(=O)N[C@@H](C)c2ccccc2Br)c1 ZINC000134140011 654984369 /nfs/dbraw/zinc/98/43/69/654984369.db2.gz HRWWGJAPFLZRQC-VIFPVBQESA-N 0 0 388.239 2.868 10 0 GFAERN O=S(=O)(N[C@H]1COc2ccccc21)c1cc(Br)cnc1Cl ZINC000070198919 654992321 /nfs/dbraw/zinc/99/23/21/654992321.db2.gz HOFLZCJYTFWIIY-JTQLQIEISA-N 0 0 389.658 2.910 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000134876647 655004910 /nfs/dbraw/zinc/00/49/10/655004910.db2.gz XRYNZDVPHBWSFF-GFCCVEGCSA-N 0 0 385.255 2.501 10 0 GFAERN COc1ccc(Br)c(CN2CCCN(c3cccnn3)CC2)c1 ZINC000093150267 655017959 /nfs/dbraw/zinc/01/79/59/655017959.db2.gz XFEJQJTYAAGHSX-UHFFFAOYSA-N 0 0 377.286 2.960 10 0 GFAERN COC(=O)[C@H](C)CS(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000093944043 655025400 /nfs/dbraw/zinc/02/54/00/655025400.db2.gz WJZZKFUMUDJGHH-YGRLFVJLSA-N 0 0 379.400 2.885 10 0 GFAERN O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CC2(Cl)Cl)C1)[C@H]1CC1(Cl)Cl ZINC000136494383 655032230 /nfs/dbraw/zinc/03/22/30/655032230.db2.gz PNVZZWPBFONVDR-AEJSXWLSSA-N 0 0 388.122 2.729 10 0 GFAERN CON(C)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C)o2)ccc1Cl ZINC000096946462 655032548 /nfs/dbraw/zinc/03/25/48/655032548.db2.gz ZLTHOQBLDJHFDU-LLVKDONJSA-N 0 0 386.857 2.914 10 0 GFAERN Cc1csc([C@@H]2CN(CC(=O)Nc3nnc(CC(C)C)s3)CCO2)n1 ZINC000136937260 655036818 /nfs/dbraw/zinc/03/68/18/655036818.db2.gz PASPVFKAXORUCG-LBPRGKRZSA-N 0 0 381.527 2.514 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(Br)cc3O)C2)no1 ZINC000103203746 655069042 /nfs/dbraw/zinc/06/90/42/655069042.db2.gz NYRDXWWXFNPKBF-NSHDSACASA-N 0 0 380.242 2.941 10 0 GFAERN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000106190906 655104723 /nfs/dbraw/zinc/10/47/23/655104723.db2.gz NQKVRMKRNJDNMG-OCCSQVGLSA-N 0 0 383.279 2.918 10 0 GFAERN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000106193775 655104767 /nfs/dbraw/zinc/10/47/67/655104767.db2.gz OHBXYPBITHSZBL-JSGCOSHPSA-N 0 0 383.279 2.918 10 0 GFAERN Brc1ccc(-c2nnc(CN3CCC[C@@H](n4cncn4)C3)o2)o1 ZINC000106219101 655105330 /nfs/dbraw/zinc/10/53/30/655105330.db2.gz HZBWDLLHSJGNBM-SNVBAGLBSA-N 0 0 379.218 2.521 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000106396157 655107869 /nfs/dbraw/zinc/10/78/69/655107869.db2.gz UULSFNMTYDIZGQ-ZDUSSCGKSA-N 0 0 399.969 2.983 10 0 GFAERN CN(CCc1ccc(Br)cc1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000106854533 655112445 /nfs/dbraw/zinc/11/24/45/655112445.db2.gz ILZSYYBZQDXRGE-HOTGVXAUSA-N 0 0 377.282 2.832 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)c3cccc(Br)c3)CC2)nn1 ZINC000109632742 655149347 /nfs/dbraw/zinc/14/93/47/655149347.db2.gz YKPBTAPAFMTBFC-UHFFFAOYSA-N 0 0 375.270 2.900 10 0 GFAERN O=C(NCc1ccc(Cl)s1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172123130 655156485 /nfs/dbraw/zinc/15/64/85/655156485.db2.gz KSUKFJKIOWJCIQ-INIZCTEOSA-N 0 0 379.913 2.962 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110883217 655161017 /nfs/dbraw/zinc/16/10/17/655161017.db2.gz AAUQSMRXYBWILG-BXUZGUMPSA-N 0 0 379.869 2.515 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3c(Cl)nc4ccccn43)CC2)s1 ZINC000110944772 655162233 /nfs/dbraw/zinc/16/22/33/655162233.db2.gz HNQMOCKCSQCCHI-UHFFFAOYSA-N 0 0 375.885 2.711 10 0 GFAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083182 655164241 /nfs/dbraw/zinc/16/42/41/655164241.db2.gz RWQNRLYEVLKCRD-JSGCOSHPSA-N 0 0 384.263 2.885 10 0 GFAERN O=C(c1[nH]c2ccccc2c1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111085283 655164514 /nfs/dbraw/zinc/16/45/14/655164514.db2.gz JWPDOYMHIAUMBY-GFCCVEGCSA-N 0 0 389.253 2.668 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccc(C)c(Cl)c3)CCO2)n1 ZINC000111345217 655169332 /nfs/dbraw/zinc/16/93/32/655169332.db2.gz WMHBYLJQGSKDDJ-OAHLLOKOSA-N 0 0 383.901 2.551 10 0 GFAERN COc1ccc(Br)c(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111746202 655176930 /nfs/dbraw/zinc/17/69/30/655176930.db2.gz QWAIEZOIEKCCEO-CYBMUJFWSA-N 0 0 395.257 2.587 10 0 GFAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)c1 ZINC000112093634 655182046 /nfs/dbraw/zinc/18/20/46/655182046.db2.gz PCYKUKSUFWWYPR-ZDUSSCGKSA-N 0 0 390.292 2.588 10 0 GFAERN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)cc1Cl ZINC000173984144 655188002 /nfs/dbraw/zinc/18/80/02/655188002.db2.gz AZOSXDPNDGNWMH-SNVBAGLBSA-N 0 0 391.280 2.619 10 0 GFAERN CCN(C(=O)N[C@H](C)c1ccccc1Br)[C@H](C)CS(C)(=O)=O ZINC000112714011 655196432 /nfs/dbraw/zinc/19/64/32/655196432.db2.gz RQMQGQGBIUHRPQ-VXGBXAGGSA-N 0 0 391.331 2.975 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@H]1C ZINC000174298443 655198116 /nfs/dbraw/zinc/19/81/16/655198116.db2.gz GAEVYNRXNYBGMM-GHMZBOCLSA-N 0 0 375.694 2.630 10 0 GFAERN C[C@H](NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccccc1Br ZINC000175623372 655224033 /nfs/dbraw/zinc/22/40/33/655224033.db2.gz VEQGKOHRQLRZED-KEYYUXOJSA-N 0 0 396.329 2.872 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc3cc(Br)ccc3[nH]1)CC2 ZINC000114862946 655229719 /nfs/dbraw/zinc/22/97/19/655229719.db2.gz QYIZZSHQAFBZNE-LBPRGKRZSA-N 0 0 388.269 2.829 10 0 GFAERN O=C(CNC(=O)c1ccc(Br)s1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000176463602 655246381 /nfs/dbraw/zinc/24/63/81/655246381.db2.gz VYLJYMSCXFAWAD-NSHDSACASA-N 0 0 397.298 2.717 10 0 GFAERN Cn1cc([C@H]2CCN(Cn3nnn(-c4ccc(Cl)cc4)c3=S)C2)cn1 ZINC000116257792 655246886 /nfs/dbraw/zinc/24/68/86/655246886.db2.gz OQSZINODLCIJFS-LBPRGKRZSA-N 0 0 375.889 2.632 10 0 GFAERN Cc1nc(Cc2nn(CN3CC[C@@H](c4cnn(C)c4)C3)c(=S)o2)cs1 ZINC000116258916 655247160 /nfs/dbraw/zinc/24/71/60/655247160.db2.gz NEDVUMUSPOYFHN-GFCCVEGCSA-N 0 0 376.511 2.742 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3c(F)cccc3Br)CC2)cn1 ZINC000176516591 655248863 /nfs/dbraw/zinc/24/88/63/655248863.db2.gz AMFCIJPONNNHAR-UHFFFAOYSA-N 0 0 395.276 2.670 10 0 GFAERN C[C@H](CNC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1)N1CCOCC1 ZINC000116528991 655249047 /nfs/dbraw/zinc/24/90/47/655249047.db2.gz UJMKRVMSCGPTIA-PBHICJAKSA-N 0 0 383.945 2.860 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3Cl)C2)n1 ZINC000116900020 655256241 /nfs/dbraw/zinc/25/62/41/655256241.db2.gz OJDADUVEZOYOTH-OAHLLOKOSA-N 0 0 382.917 2.958 10 0 GFAERN CCOCCN1CCN(C(=O)CCc2ccccc2Br)C[C@H]1C ZINC000117276030 655262871 /nfs/dbraw/zinc/26/28/71/655262871.db2.gz KQQGLUJUUBCTSB-OAHLLOKOSA-N 0 0 383.330 2.951 10 0 GFAERN O=S(=O)(c1cc2cc(Cl)ccc2s1)N1CC[C@@H](N2CCOCC2)C1 ZINC000176945417 655263175 /nfs/dbraw/zinc/26/31/75/655263175.db2.gz XGVGNFWDYJRQNI-CQSZACIVSA-N 0 0 386.926 2.650 10 0 GFAERN CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000177402368 655275389 /nfs/dbraw/zinc/27/53/89/655275389.db2.gz OFIXEDDXQCOYBL-MNOVXSKESA-N 0 0 382.379 2.585 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1Br ZINC000118671206 655280307 /nfs/dbraw/zinc/28/03/07/655280307.db2.gz KOTRIHNGZAVICF-GFCCVEGCSA-N 0 0 379.233 2.777 10 0 GFAERN C[C@H](NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1c(Cl)ccc(F)c1Cl ZINC000119171576 655291794 /nfs/dbraw/zinc/29/17/94/655291794.db2.gz DWBVSTXCQDWJKG-DKCNOQQISA-N 0 0 378.231 2.526 10 0 GFAERN O=Cc1ccc(OCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(Br)c1 ZINC000120067471 655326587 /nfs/dbraw/zinc/32/65/87/655326587.db2.gz BWWOMBOWKMTVCC-KBXCAEBGSA-N 0 0 396.281 2.794 10 0 GFAERN Cc1cc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cnc1Br ZINC000180493122 655327230 /nfs/dbraw/zinc/32/72/30/655327230.db2.gz ZCTSNDCNFOJZSB-JTQLQIEISA-N 0 0 388.221 2.776 10 0 GFAERN Cc1cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cnc1Br ZINC000180493106 655327286 /nfs/dbraw/zinc/32/72/86/655327286.db2.gz ZCTSNDCNFOJZSB-SNVBAGLBSA-N 0 0 388.221 2.776 10 0 GFAERN Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1CCOc2ccccc21 ZINC000181340251 655335433 /nfs/dbraw/zinc/33/54/33/655335433.db2.gz JZSVPGJQSYPHKY-ZDUSSCGKSA-N 0 0 390.237 2.731 10 0 GFAERN COC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@H](n2cncn2)C1 ZINC000120886176 655346027 /nfs/dbraw/zinc/34/60/27/655346027.db2.gz ATCDJUQKCOHECS-GJZGRUSLSA-N 0 0 379.258 2.592 10 0 GFAERN Cc1csc([C@H](OC(=O)c2cn(CC3(C)COC3)nn2)C(F)(F)F)n1 ZINC000185108759 655362481 /nfs/dbraw/zinc/36/24/81/655362481.db2.gz JQVZEPCXOYZJHS-JTQLQIEISA-N 0 0 376.360 2.540 10 0 GFAERN C[C@@H](OC(=O)Cn1nc2ccccn2c1=O)c1ccccc1Br ZINC000186089226 655367736 /nfs/dbraw/zinc/36/77/36/655367736.db2.gz GRAUJFMDEGEVSM-LLVKDONJSA-N 0 0 376.210 2.563 10 0 GFAERN C[C@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000186088576 655367745 /nfs/dbraw/zinc/36/77/45/655367745.db2.gz SDVLVZCYHAZKMS-FZMZJTMJSA-N 0 0 390.299 2.867 10 0 GFAERN Cc1cnn(C[C@H]2CN(Cn3nc(C(F)(F)F)sc3=S)CCO2)c1 ZINC000188669590 655381403 /nfs/dbraw/zinc/38/14/03/655381403.db2.gz SIBVCYWRPBMFFM-SNVBAGLBSA-N 0 0 379.433 2.556 10 0 GFAERN Cc1ccc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000192511593 655405713 /nfs/dbraw/zinc/40/57/13/655405713.db2.gz MGEKTGZWGCFRHZ-NSHDSACASA-N 0 0 377.853 2.714 10 0 GFAERN COCCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2oc(Br)cc21 ZINC000223715374 655422482 /nfs/dbraw/zinc/42/24/82/655422482.db2.gz KDLCQTRGGFZKSB-QWRGUYRKSA-N 0 0 385.258 2.893 10 0 GFAERN O=c1c(Br)nn(CN2CCO[C@H]3CCCC[C@H]32)c2ccccc12 ZINC000245709377 655428352 /nfs/dbraw/zinc/42/83/52/655428352.db2.gz NCWHUNPLDRQYBI-CABCVRRESA-N 0 0 378.270 2.760 10 0 GFAERN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c(Cl)n1 ZINC000248638041 655432970 /nfs/dbraw/zinc/43/29/70/655432970.db2.gz ARYXMEHENOKOOZ-FZMZJTMJSA-N 0 0 388.823 2.818 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000702796159 655521829 /nfs/dbraw/zinc/52/18/29/655521829.db2.gz MZQKTUMVIRUUOQ-RISCZKNCSA-N 0 0 389.279 2.951 10 0 GFAERN C[C@H]1COC[C@H](C)N1C(=O)c1cnc(Br)c(Br)c1 ZINC000708340460 655522332 /nfs/dbraw/zinc/52/23/32/655522332.db2.gz ZZRUTQDEVSPEQR-YUMQZZPRSA-N 0 0 378.064 2.856 10 0 GFAERN Cn1nc(C(F)(F)F)c(NC(=O)NC[C@H]2CCc3nccn3C2)c1Cl ZINC000889202989 663236026 /nfs/dbraw/zinc/23/60/26/663236026.db2.gz YHVRIHKEIIAMIA-MRVPVSSYSA-N 0 0 376.770 2.673 10 0 GFAERN CCOC(=O)c1ncc(Br)c(N2CCC[C@H](n3cc(C)cn3)C2)n1 ZINC000892384946 663371931 /nfs/dbraw/zinc/37/19/31/663371931.db2.gz AFUPXEKWFZMVDZ-LBPRGKRZSA-N 0 0 394.273 2.762 10 0 GFAERN Cc1nc(CN(C)[C@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cs1 ZINC000014745955 210127114 /nfs/dbraw/zinc/12/71/14/210127114.db2.gz XMZLFBXHTSPCMX-INIZCTEOSA-N 0 0 387.553 2.800 10 0 GFAERN O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCCN(c2nc3ccccc3s2)CC1 ZINC000012759967 210004113 /nfs/dbraw/zinc/00/41/13/210004113.db2.gz GTCVIVJXLYWLLJ-HNNXBMFYSA-N 0 0 398.532 2.736 10 0 GFAERN O=C(NCc1cn2ccsc2n1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012316714 209940215 /nfs/dbraw/zinc/94/02/15/209940215.db2.gz GBWMFXMBLAPUAL-AWEZNQCLSA-N 0 0 386.452 2.590 10 0 GFAERN O=C1c2ccccc2N(CNc2ccc(I)cc2)C1=O ZINC000003070855 209409242 /nfs/dbraw/zinc/40/92/42/209409242.db2.gz XLZCAXMAPHYIQL-UHFFFAOYSA-N 0 0 378.169 2.890 10 0 GFAERN CCn1c2nnc(SCC(=O)NCc3cccs3)n2c2ccccc2c1=O ZINC000001331736 209319200 /nfs/dbraw/zinc/31/92/00/209319200.db2.gz BMNWWOCVLIBAON-UHFFFAOYSA-N 0 0 399.501 2.534 10 0 GFAERN CC[C@@H]1CN(CCNC(=O)c2noc3c2CCCC3)Cc2cc(OC)ccc2O1 ZINC000299774417 212035651 /nfs/dbraw/zinc/03/56/51/212035651.db2.gz HPERRRCJVYKVLQ-MRXNPFEDSA-N 0 0 399.491 2.965 10 0 GFAERN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000334161978 209177858 /nfs/dbraw/zinc/17/78/58/209177858.db2.gz LFCZXGFZHWPHOU-CQSZACIVSA-N 0 0 390.447 2.959 10 0 GFAERN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H](C)O[C@H](C)C3)c2c1C ZINC000016046940 209166208 /nfs/dbraw/zinc/16/62/08/209166208.db2.gz WLOPTSZMPMDNSW-CHWSQXEVSA-N 0 0 376.526 2.754 10 0 GFAERN Cc1c2nc(C)nc(Nc3ccc(C(=O)NC[C@H]4CCCO4)cc3)c2nn1C ZINC000041070255 211392225 /nfs/dbraw/zinc/39/22/25/211392225.db2.gz BMPMEDRUXFGHOB-MRXNPFEDSA-N 0 0 380.452 2.633 10 0 GFAERN CCOC(=O)C(C=Nc1ccccc1I)C(=O)OCC ZINC000100234400 211384069 /nfs/dbraw/zinc/38/40/69/211384069.db2.gz HBYYKZHGTVOZGZ-UHFFFAOYSA-N 0 0 389.189 2.713 10 0 GFAERN COc1ccc([C@H](C)NC(=O)c2cn3c(n2)CN(CC(C)C)CC3)cc1OC ZINC000096396417 211340437 /nfs/dbraw/zinc/34/04/37/211340437.db2.gz QLSLBQVOMWSPQY-HNNXBMFYSA-N 0 0 386.496 2.863 10 0 GFAERN CC(C)=CCN1CC2(CC1=O)CC[NH+](Cc1ccc(OCC(=O)[O-])cc1)CC2 ZINC000091876815 211209308 /nfs/dbraw/zinc/20/93/08/211209308.db2.gz XFPFEFITXZBSNP-UHFFFAOYSA-N 0 0 386.492 2.931 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@@H](CS(=O)(=O)c2ncc(Cl)cn2)C1 ZINC000095085515 211219041 /nfs/dbraw/zinc/21/90/41/211219041.db2.gz NZCRQGJKMLKZCM-LLVKDONJSA-N 0 0 375.878 2.551 10 0 GFAERN CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000095074444 211217354 /nfs/dbraw/zinc/21/73/54/211217354.db2.gz BHUVJOQMKWELBR-MRXNPFEDSA-N 0 0 386.489 2.987 10 0 GFAERN CC(C)NC(=S)N1C[C@H](C(=O)NCc2cccnc2)[C@H](c2ccccc2)C1 ZINC000036042450 210705886 /nfs/dbraw/zinc/70/58/86/210705886.db2.gz ICXUCLGWQBWNQM-OALUTQOASA-N 0 0 382.533 2.696 10 0 GFAERN CCc1ccc([C@@H]2CC[C@@H](C(=O)NCc3cccnc3)CN2C(=O)COC)cc1 ZINC000034710184 210662983 /nfs/dbraw/zinc/66/29/83/210662983.db2.gz UUFHOXJDZQYSMK-RTWAWAEBSA-N 0 0 395.503 2.887 10 0 GFAERN Cn1cccc1C(=O)N1CCC[C@@H](COc2cccc(C(=O)NC3CC3)c2)C1 ZINC000033311770 210641348 /nfs/dbraw/zinc/64/13/48/210641348.db2.gz DPKBXQNJJGWKAJ-MRXNPFEDSA-N 0 0 381.476 2.849 10 0 GFAERN CCCCC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCCCOC)cc1 ZINC000021712306 210389441 /nfs/dbraw/zinc/38/94/41/210389441.db2.gz QBBMQJYNTUJIQF-GOSISDBHSA-N 0 0 389.496 2.573 10 0 GFAERN CNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3C)c2)C1 ZINC000021709595 210389379 /nfs/dbraw/zinc/38/93/79/210389379.db2.gz AFBDMKCVPINMDF-KRWDZBQOSA-N 0 0 379.460 2.846 10 0 GFAERN O=c1cc(Cc2cccc(F)c2)nc(-c2ccccc2CN2CCOCC2)[nH]1 ZINC000020534380 210345970 /nfs/dbraw/zinc/34/59/70/210345970.db2.gz RQXOLWCJMJXSQU-UHFFFAOYSA-N 0 0 379.435 2.999 10 0 GFAERN COc1ccc([C@@H]2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)c(O)c1 ZINC000503983683 533138591 /nfs/dbraw/zinc/13/85/91/533138591.db2.gz HBMSDJPRMIJWFE-ZDUSSCGKSA-N 0 0 376.361 2.839 10 0 GFAERN O=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3cc[nH]n3)CC2)cc1 ZINC000011819667 221129931 /nfs/dbraw/zinc/12/99/31/221129931.db2.gz JSOYGYAXYPYIFI-UHFFFAOYSA-N 0 0 391.475 2.778 10 0 GFAERN Cc1ccc(C(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)cc1F ZINC000064677796 136157490 /nfs/dbraw/zinc/15/74/90/136157490.db2.gz UJVBRBWANASCBZ-UHFFFAOYSA-N 0 0 384.430 2.907 10 0 GFAERN CC1CCN(c2ncc3c(n2)CC[C@H](C(=O)NCCc2ccncc2)C3)CC1 ZINC000065289498 136162669 /nfs/dbraw/zinc/16/26/69/136162669.db2.gz NPZRYNJDAZDWKP-SFHVURJKSA-N 0 0 379.508 2.572 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](CNC(=O)OCc3ccccc3)O[C@@H]2C1 ZINC000307143370 526428207 /nfs/dbraw/zinc/42/82/07/526428207.db2.gz FJWIJNWULWSJNU-GVDBMIGSSA-N 0 0 376.453 2.937 10 0 GFAERN CCCc1cc(N2CCN(C(=O)Cc3ccsc3)CC2)nc2nnc(CC)n21 ZINC000065312077 535397614 /nfs/dbraw/zinc/39/76/14/535397614.db2.gz HVGOVCXTVUWWKN-UHFFFAOYSA-N 0 0 398.536 2.592 10 0 GFAERN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cncs3)C2)CC1 ZINC000064015412 537068879 /nfs/dbraw/zinc/06/88/79/537068879.db2.gz ORHLXSSKECEKTE-MRXNPFEDSA-N 0 0 386.521 2.579 10 0 GFAERN C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000046127048 551148728 /nfs/dbraw/zinc/14/87/28/551148728.db2.gz NRTYISNBEKRLLJ-NEPJUHHUSA-N 0 0 397.294 2.884 10 0 GFAERN C[C@H](CNC(=O)N[C@@H](C)CCc1ccc(Br)cc1)N1CCOCC1 ZINC000054648477 551169955 /nfs/dbraw/zinc/16/99/55/551169955.db2.gz BUCNXRNOYGWAGJ-LSDHHAIUSA-N 0 0 398.345 2.790 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000116328277 551212443 /nfs/dbraw/zinc/21/24/43/551212443.db2.gz VMBMDVYEBISVMG-LBPRGKRZSA-N 0 0 387.910 2.924 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2nnc(-c3ccsc3)s2)C[C@H]1C ZINC000117448261 551214253 /nfs/dbraw/zinc/21/42/53/551214253.db2.gz PKXXBJKVAMFOKP-GFCCVEGCSA-N 0 0 381.527 2.841 10 0 GFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)CSCC(F)(F)F ZINC000121177672 551228805 /nfs/dbraw/zinc/22/88/05/551228805.db2.gz NQVGPZCBOWYZKX-LBPRGKRZSA-N 0 0 382.473 2.875 10 0 GFAERN CCOc1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)cc1Br ZINC000121325791 551232270 /nfs/dbraw/zinc/23/22/70/551232270.db2.gz MWRSMDIHSJQOJY-FZMZJTMJSA-N 0 0 392.315 2.677 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000121466915 551235332 /nfs/dbraw/zinc/23/53/32/551235332.db2.gz NZRPDMYCWGNJSP-NSHDSACASA-N 0 0 380.853 2.559 10 0 GFAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121845967 551243823 /nfs/dbraw/zinc/24/38/23/551243823.db2.gz TWLJZORGNKVVCX-ZUZCIYMTSA-N 0 0 379.450 2.512 10 0 GFAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121845670 551243920 /nfs/dbraw/zinc/24/39/20/551243920.db2.gz TWLJZORGNKVVCX-MEBBXXQBSA-N 0 0 379.450 2.512 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)N[C@H](CO)c1ccccc1 ZINC000122251857 551296187 /nfs/dbraw/zinc/29/61/87/551296187.db2.gz KDWYUVNQHBHTCZ-LLVKDONJSA-N 0 0 376.297 2.831 10 0 GFAERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1F ZINC000124242295 551312462 /nfs/dbraw/zinc/31/24/62/551312462.db2.gz NXTHWBYEBHZVFS-NSHDSACASA-N 0 0 389.445 2.716 10 0 GFAERN COC(=O)c1c(F)cccc1S(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000124372454 551313842 /nfs/dbraw/zinc/31/38/42/551313842.db2.gz ZXHFQLNBHYZVDH-LBPRGKRZSA-N 0 0 384.454 2.985 10 0 GFAERN CN1CCO[C@@H](CNC(=O)N(Cc2csc(Br)c2)C2CC2)C1 ZINC000125681038 551322757 /nfs/dbraw/zinc/32/27/57/551322757.db2.gz UWVAXLGRTJELPO-ZDUSSCGKSA-N 0 0 388.331 2.515 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1cncc(Br)c1)CC2 ZINC000126399020 551328933 /nfs/dbraw/zinc/32/89/33/551328933.db2.gz GKNGTCIPWDIBKQ-LLVKDONJSA-N 0 0 379.262 2.696 10 0 GFAERN COc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1I ZINC000130811280 551370055 /nfs/dbraw/zinc/37/00/55/551370055.db2.gz OHHOPOQGENKVSN-SKDRFNHKSA-N 0 0 375.206 2.597 10 0 GFAERN Cc1ccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c(Br)n1 ZINC000131826986 551376456 /nfs/dbraw/zinc/37/64/56/551376456.db2.gz KPRZNCCZVYOIHR-UHFFFAOYSA-N 0 0 390.285 2.684 10 0 GFAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(F)cc1I ZINC000151021807 551405613 /nfs/dbraw/zinc/40/56/13/551405613.db2.gz GRJGTUVSXWFYBQ-RNCFNFMXSA-N 0 0 377.197 2.711 10 0 GFAERN CC(C)CC(=O)N[C@@H](C(=O)NCc1ccc(O)c(Br)c1)C(C)C ZINC000151622218 551418264 /nfs/dbraw/zinc/41/82/64/551418264.db2.gz RPSGMFLIRXJEIS-MRXNPFEDSA-N 0 0 385.302 2.958 10 0 GFAERN O=C(Cc1cc(F)ccc1Br)N1CCC[C@@H](Cn2cncn2)C1 ZINC000151687929 551419469 /nfs/dbraw/zinc/41/94/69/551419469.db2.gz TXZYWBMJRADOOC-GFCCVEGCSA-N 0 0 381.249 2.661 10 0 GFAERN C[C@@H]1CC[C@H](C(=O)Nc2cc(-c3ccc(Br)cc3)nn2CCO)O1 ZINC000151837456 551421775 /nfs/dbraw/zinc/42/17/75/551421775.db2.gz BZBWPUZMVOQIPD-IAQYHMDHSA-N 0 0 394.269 2.811 10 0 GFAERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3ccc(Br)cc3)nn2CCO)O1 ZINC000151837614 551421858 /nfs/dbraw/zinc/42/18/58/551421858.db2.gz BZBWPUZMVOQIPD-ABAIWWIYSA-N 0 0 394.269 2.811 10 0 GFAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)Nc1ccccc1Br ZINC000152513378 551434929 /nfs/dbraw/zinc/43/49/29/551434929.db2.gz VNLZHAHFSZHSRV-CQSZACIVSA-N 0 0 376.254 2.936 10 0 GFAERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)cnc3N)C2)n1 ZINC000153839275 551461506 /nfs/dbraw/zinc/46/15/06/551461506.db2.gz IIYPRGDMDAOMRN-SNVBAGLBSA-N 0 0 386.930 2.904 10 0 GFAERN CCc1nnc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)Nc2nnc(CC)s2)s1 ZINC000154781857 551482743 /nfs/dbraw/zinc/48/27/43/551482743.db2.gz OXQQLHURARELRR-DTORHVGOSA-N 0 0 380.499 2.508 10 0 GFAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000155225148 551495048 /nfs/dbraw/zinc/49/50/48/551495048.db2.gz SNVBIEOKKVNLJL-GXTWGEPZSA-N 0 0 380.432 2.625 10 0 GFAERN C[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1cccc(Br)c1 ZINC000155633747 551504587 /nfs/dbraw/zinc/50/45/87/551504587.db2.gz XQKWGAZEXLPBLC-MFKMUULPSA-N 0 0 391.331 2.590 10 0 GFAERN O=S(=O)(c1ccc(F)c(F)c1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158569720 551553820 /nfs/dbraw/zinc/55/38/20/551553820.db2.gz HDZBZWNBMZJAQE-HWPZZCPQSA-N 0 0 375.343 2.740 10 0 GFAERN COCCc1noc(CN(C)C(=O)N[C@@H](C)c2ccccc2Br)n1 ZINC000159149939 551561463 /nfs/dbraw/zinc/56/14/63/551561463.db2.gz TYQXJEQSAKGUFH-NSHDSACASA-N 0 0 397.273 2.924 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCS[C@H](C)C2)ccc1OCC(F)(F)F ZINC000164431880 551625841 /nfs/dbraw/zinc/62/58/41/551625841.db2.gz HMDKGGLSDWZWJP-LLVKDONJSA-N 0 0 376.400 2.839 10 0 GFAERN Cn1nc(Br)c2c1ncnc2NCC[C@@H]1c2ccccc2NC1=O ZINC000171131107 551647832 /nfs/dbraw/zinc/64/78/32/551647832.db2.gz KYOBAAZSQBXPKP-SNVBAGLBSA-N 0 0 387.241 2.664 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171399210 551654540 /nfs/dbraw/zinc/65/45/40/551654540.db2.gz PRVNMMCLNACUTH-HNNXBMFYSA-N 0 0 391.269 2.793 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171399689 551654730 /nfs/dbraw/zinc/65/47/30/551654730.db2.gz ORYJITZLMNXSFQ-HNNXBMFYSA-N 0 0 391.269 2.793 10 0 GFAERN CC(=O)N[C@@H](CC(=O)N1CCS[C@@H](C)C1)c1ccc(Br)cc1 ZINC000171578693 551658609 /nfs/dbraw/zinc/65/86/09/551658609.db2.gz AQSVUNMGQILRRT-NHYWBVRUSA-N 0 0 385.327 2.980 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CCS1 ZINC000171582769 551658628 /nfs/dbraw/zinc/65/86/28/551658628.db2.gz WHGYMVNMFFIUIV-LBPRGKRZSA-N 0 0 388.942 2.702 10 0 GFAERN CSc1ncc(Cl)c(C(=O)N2CCN(Cc3cnc(C)s3)CC2)n1 ZINC000171862658 551665760 /nfs/dbraw/zinc/66/57/60/551665760.db2.gz IZAIAIKUMWDTOW-UHFFFAOYSA-N 0 0 383.930 2.575 10 0 GFAERN CCOc1cc(C)nc(N2CCN(Cc3ccc(Br)cn3)CC2)n1 ZINC000171960694 551667406 /nfs/dbraw/zinc/66/74/06/551667406.db2.gz YCXPCZCPSSMGQK-UHFFFAOYSA-N 0 0 392.301 2.663 10 0 GFAERN O=C(CCCOc1ccccc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000172760323 551686307 /nfs/dbraw/zinc/68/63/07/551686307.db2.gz YDATYDOVCKFFAY-OAHLLOKOSA-N 0 0 397.313 2.541 10 0 GFAERN Cc1c(Br)cccc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000173526818 552087294 /nfs/dbraw/zinc/08/72/94/552087294.db2.gz IVUCBCYQVPYGPC-CYBMUJFWSA-N 0 0 375.270 2.946 10 0 GFAERN O=C(NCCc1ccc(Br)s1)N1CCC[C@@H](n2cncn2)C1 ZINC000173635804 552089897 /nfs/dbraw/zinc/08/98/97/552089897.db2.gz JVDXSEPKZAJZIB-LLVKDONJSA-N 0 0 384.303 2.691 10 0 GFAERN Cc1nc(-c2cccs2)sc1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173826490 552093270 /nfs/dbraw/zinc/09/32/70/552093270.db2.gz FENLXOJJIILXMV-TZMCWYRMSA-N 0 0 377.535 2.973 10 0 GFAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000173844526 552093562 /nfs/dbraw/zinc/09/35/62/552093562.db2.gz HUFVQURRGVZYRP-BNEJOLLZSA-N 0 0 393.325 2.732 10 0 GFAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCCC[C@@H]1c1nccs1 ZINC000174608813 552106841 /nfs/dbraw/zinc/10/68/41/552106841.db2.gz NPLKHMHLBXOTSD-SNVBAGLBSA-N 0 0 398.282 2.982 10 0 GFAERN CCc1nnc(NC(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)s1 ZINC000175086111 552115418 /nfs/dbraw/zinc/11/54/18/552115418.db2.gz AIKBEMIRQPQXKB-NEPJUHHUSA-N 0 0 381.527 2.746 10 0 GFAERN CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)CC1CCCCC1 ZINC000175212936 552117871 /nfs/dbraw/zinc/11/78/71/552117871.db2.gz LPMPIPFPRLZRGX-QGZVFWFLSA-N 0 0 386.583 2.963 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2ccc(C)s2)[nH]n1 ZINC000175334118 552119558 /nfs/dbraw/zinc/11/95/58/552119558.db2.gz OVKUQRKVCFMLRR-ZDUSSCGKSA-N 0 0 382.511 2.589 10 0 GFAERN CN(C)c1ncccc1N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000175869627 552131088 /nfs/dbraw/zinc/13/10/88/552131088.db2.gz RJMSLABHOYMJFW-UHFFFAOYSA-N 0 0 376.301 2.797 10 0 GFAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H]1CSCCS1 ZINC000176656529 552143737 /nfs/dbraw/zinc/14/37/37/552143737.db2.gz IANACYMULPEHKW-IAQYHMDHSA-N 0 0 388.505 2.684 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000177001457 552149407 /nfs/dbraw/zinc/14/94/07/552149407.db2.gz ZLILOUYIKDMRFW-CYBMUJFWSA-N 0 0 399.314 2.779 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCC(C)(C)c1ccccc1Br)C(C)C ZINC000178921536 552179097 /nfs/dbraw/zinc/17/90/97/552179097.db2.gz FVDFUPQHHYCKJO-CQSZACIVSA-N 0 0 384.318 2.797 10 0 GFAERN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180031758 552210448 /nfs/dbraw/zinc/21/04/48/552210448.db2.gz YUUMSTSBQSPANL-MLGOLLRUSA-N 0 0 383.279 2.947 10 0 GFAERN O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000180146829 552214991 /nfs/dbraw/zinc/21/49/91/552214991.db2.gz FFTPNOWXSMQGJC-LBPRGKRZSA-N 0 0 375.803 2.880 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(Br)nc1C ZINC000181353940 552253942 /nfs/dbraw/zinc/25/39/42/552253942.db2.gz XZUFQXWPBPJSLT-NSHDSACASA-N 0 0 395.261 2.547 10 0 GFAERN O=C(CCc1cc(F)ccc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000182420619 552283771 /nfs/dbraw/zinc/28/37/71/552283771.db2.gz GPQQCCOKQXGJDO-OAHLLOKOSA-N 0 0 396.260 2.645 10 0 GFAERN COC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CO)ccc1Br ZINC000182641084 552289573 /nfs/dbraw/zinc/28/95/73/552289573.db2.gz OPBLKLKVSYRUCA-IINYFYTJSA-N 0 0 385.258 2.908 10 0 GFAERN Cc1cc(CNC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1Cl ZINC000182802247 552293292 /nfs/dbraw/zinc/29/32/92/552293292.db2.gz NLIOJRSDYZFARR-GFCCVEGCSA-N 0 0 381.885 2.856 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCNc1cccc(Br)c1 ZINC000183232349 552303394 /nfs/dbraw/zinc/30/33/94/552303394.db2.gz GHSNCSIYNANVAY-CQSZACIVSA-N 0 0 393.289 2.595 10 0 GFAERN O=C(Nc1ccc(Cl)cc1OC(F)F)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000183555987 552313018 /nfs/dbraw/zinc/31/30/18/552313018.db2.gz QDHWPRGKFOHIHX-KOLCDFICSA-N 0 0 376.787 2.547 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)c2cc3ccc(Br)cc3[nH]2)n1 ZINC000183758819 552318700 /nfs/dbraw/zinc/31/87/00/552318700.db2.gz KSFUOBREJYSSKK-CQSZACIVSA-N 0 0 391.225 2.836 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(Br)nc2)C12CCOCC2 ZINC000184527046 552337598 /nfs/dbraw/zinc/33/75/98/552337598.db2.gz LLCPWOMRMAQTHE-OLZOCXBDSA-N 0 0 384.274 2.940 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2cncc(Br)c2)C12CCOCC2 ZINC000184573009 552338844 /nfs/dbraw/zinc/33/88/44/552338844.db2.gz VUZQHNSRZAIXDN-ZIAGYGMSSA-N 0 0 384.274 2.940 10 0 GFAERN Cc1cnn(CCNC(=O)NCc2cc3cc(Br)ccc3[nH]2)c1 ZINC000184653301 552341140 /nfs/dbraw/zinc/34/11/40/552341140.db2.gz UHHOCCKCRABDOF-UHFFFAOYSA-N 0 0 376.258 2.935 10 0 GFAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000185153383 552355746 /nfs/dbraw/zinc/35/57/46/552355746.db2.gz WHAUKHDRVHFAQJ-ZIAGYGMSSA-N 0 0 386.901 2.594 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(F)ccc2Cl)C12CCOCC2 ZINC000185156734 552355926 /nfs/dbraw/zinc/35/59/26/552355926.db2.gz PHBFCLDXNKUMDW-LSDHHAIUSA-N 0 0 377.865 2.732 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cnc(Cl)c(Cl)c2)C12CCOCC2 ZINC000185154718 552355942 /nfs/dbraw/zinc/35/59/42/552355942.db2.gz SKIBFBDNKOZBPN-OLZOCXBDSA-N 0 0 395.308 2.641 10 0 GFAERN O=C1C[C@@H](N[C@H](c2ccc(Br)cc2)c2cncnc2)CN1C1CC1 ZINC000186284626 552383819 /nfs/dbraw/zinc/38/38/19/552383819.db2.gz KAYHKLKRWYPEAP-CRAIPNDOSA-N 0 0 387.281 2.681 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000186668736 552394215 /nfs/dbraw/zinc/39/42/15/552394215.db2.gz XCWILRYTVQCOJD-INIZCTEOSA-N 0 0 397.313 2.779 10 0 GFAERN C[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)c1ccccc1Br ZINC000186925221 552401609 /nfs/dbraw/zinc/40/16/09/552401609.db2.gz REXHLMXHOMXJOI-MFKMUULPSA-N 0 0 377.229 2.592 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)c2cc(Br)cn2CC)C12CCOCC2 ZINC000187124025 552407294 /nfs/dbraw/zinc/40/72/94/552407294.db2.gz JXPFLJSBLFXWAK-CABCVRRESA-N 0 0 385.302 2.975 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ncc(Br)cc1F ZINC000187306157 552412385 /nfs/dbraw/zinc/41/23/85/552412385.db2.gz YKAZKZNUVYAOFI-SKDRFNHKSA-N 0 0 384.253 2.907 10 0 GFAERN O=S(=O)(N[C@@H](Cc1ccccc1)C(F)(F)F)c1cnn(CC(F)F)c1 ZINC000188184417 552438267 /nfs/dbraw/zinc/43/82/67/552438267.db2.gz SHFRUMYGQOKUGB-LBPRGKRZSA-N 0 0 383.342 2.600 10 0 GFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cn2ccnc2s1 ZINC000188484468 552445928 /nfs/dbraw/zinc/44/59/28/552445928.db2.gz FRJQWGPQZNMBHL-ZDUSSCGKSA-N 0 0 376.507 2.603 10 0 GFAERN CCCOc1c(Br)cc(C(=O)N2CCCNC(=O)[C@@H]2C)cc1OC ZINC000188928757 552458656 /nfs/dbraw/zinc/45/86/56/552458656.db2.gz QFZBLDJBSKOEQA-NSHDSACASA-N 0 0 399.285 2.597 10 0 GFAERN CN1CCO[C@H](CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000189158194 552464469 /nfs/dbraw/zinc/46/44/69/552464469.db2.gz YAUYMOUAHLNARB-GFCCVEGCSA-N 0 0 376.806 2.837 10 0 GFAERN CCn1cc([C@H]2CN(S(=O)(=O)c3cc(C)c(F)cc3Cl)CCO2)cn1 ZINC000189226830 552465881 /nfs/dbraw/zinc/46/58/81/552465881.db2.gz CJYWHGCXFGITSD-OAHLLOKOSA-N 0 0 387.864 2.766 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000189233343 552466580 /nfs/dbraw/zinc/46/65/80/552466580.db2.gz RFTCBIIBQUCWID-LBPRGKRZSA-N 0 0 377.897 2.667 10 0 GFAERN O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000189421190 552470893 /nfs/dbraw/zinc/47/08/93/552470893.db2.gz AMOSWTPZHMSZJI-LLVKDONJSA-N 0 0 377.857 2.529 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@H]1CCCO[C@H]1C)c1cccc(Br)c1 ZINC000189975380 552484456 /nfs/dbraw/zinc/48/44/56/552484456.db2.gz ZPMZBIXZZOORJT-CQDKDKBSSA-N 0 0 384.270 2.985 10 0 GFAERN CC(=O)NC1CN(C(=O)c2ccc(COc3cccc(Br)c3)o2)C1 ZINC000190486590 552498077 /nfs/dbraw/zinc/49/80/77/552498077.db2.gz PKZLPRFRZVNCAS-UHFFFAOYSA-N 0 0 393.237 2.582 10 0 GFAERN CC(=O)NC1CN(C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)C1 ZINC000190514049 552499429 /nfs/dbraw/zinc/49/94/29/552499429.db2.gz ZLJHGAVCTFLVAK-UHFFFAOYSA-N 0 0 384.219 2.521 10 0 GFAERN O=C1[C@H](N2CC[C@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000190603516 552502884 /nfs/dbraw/zinc/50/28/84/552502884.db2.gz FLSKVZOUUKPXIR-WMLDXEAASA-N 0 0 384.307 2.505 10 0 GFAERN CCc1csc([C@@H]2CCCN(S(=O)(=O)CCCCCC(=O)OC)C2)n1 ZINC000190726258 552507193 /nfs/dbraw/zinc/50/71/93/552507193.db2.gz ZCQMMYTUVSXKAG-CQSZACIVSA-N 0 0 388.555 2.948 10 0 GFAERN CCn1cc([C@H]2CN(C[C@H](O)c3ccccc3Br)CCO2)cn1 ZINC000190808103 552509628 /nfs/dbraw/zinc/50/96/28/552509628.db2.gz XLRXVWITEKJDFP-DLBZAZTESA-N 0 0 380.286 2.772 10 0 GFAERN CCn1cc([C@@H]2CN(Cc3cnc4ccc(Br)cn34)CCO2)cn1 ZINC000191714361 552535746 /nfs/dbraw/zinc/53/57/46/552535746.db2.gz WFULHEPEUWUMIA-INIZCTEOSA-N 0 0 390.285 2.887 10 0 GFAERN COc1cc(Cl)c(Cl)cc1C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191733285 552536361 /nfs/dbraw/zinc/53/63/61/552536361.db2.gz YRXITAUTXZXSKA-UHFFFAOYSA-N 0 0 375.252 2.623 10 0 GFAERN O=C(N1CCC[C@H](n2cncn2)C1)C1(c2ccccc2Br)CC1 ZINC000191912878 552542329 /nfs/dbraw/zinc/54/23/29/552542329.db2.gz DKOCHOVGXINJIA-ZDUSSCGKSA-N 0 0 375.270 2.936 10 0 GFAERN O=C(Nc1cc2c(cc1Br)CCC2)N[C@H]1CCc2ncnn2C1 ZINC000192470169 552565184 /nfs/dbraw/zinc/56/51/84/552565184.db2.gz YQUQNWUCFVMWEC-LBPRGKRZSA-N 0 0 376.258 2.666 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C12CCOCC2 ZINC000192855986 552976108 /nfs/dbraw/zinc/97/61/08/552976108.db2.gz VZXGTUVLFFKXEZ-CVEARBPZSA-N 0 0 391.892 2.873 10 0 GFAERN O=C(c1ncccc1Br)N1CCN(c2nc3ccccc3o2)CC1 ZINC000193312747 552989833 /nfs/dbraw/zinc/98/98/33/552989833.db2.gz ZGOBUABBDXARQA-UHFFFAOYSA-N 0 0 387.237 2.948 10 0 GFAERN C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1c(Cl)ccc(F)c1Cl ZINC000193436444 552992962 /nfs/dbraw/zinc/99/29/62/552992962.db2.gz UCGWADJQBMJGKQ-GZMMTYOYSA-N 0 0 383.272 2.734 10 0 GFAERN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC(Cn2cccn2)CC1 ZINC000193763170 553002571 /nfs/dbraw/zinc/00/25/71/553002571.db2.gz JZBJQVJAQLXQFC-UHFFFAOYSA-N 0 0 377.363 2.540 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)CCO2)n1 ZINC000193951916 553007553 /nfs/dbraw/zinc/00/75/53/553007553.db2.gz NBJBLKMWRRWZJE-LLVKDONJSA-N 0 0 393.412 2.628 10 0 GFAERN CSC1(CNC(=O)[C@H]2CSCN2C(=O)c2c[nH]c3ccccc32)CC1 ZINC000194665123 553026281 /nfs/dbraw/zinc/02/62/81/553026281.db2.gz XIRLHDLFRSWWPP-OAHLLOKOSA-N 0 0 375.519 2.695 10 0 GFAERN CC(C)C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194804748 553030325 /nfs/dbraw/zinc/03/03/25/553030325.db2.gz JGMOVPYOXGPNTJ-UHFFFAOYSA-N 0 0 388.205 2.971 10 0 GFAERN Cc1cccc(C(=O)N2CCN3CCCC[C@H]3C2)c1I ZINC000195057934 553036921 /nfs/dbraw/zinc/03/69/21/553036921.db2.gz VUZBSKJUHIBUIP-ZDUSSCGKSA-N 0 0 384.261 2.910 10 0 GFAERN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@@H]1CNC(=O)C1 ZINC000195393469 553047086 /nfs/dbraw/zinc/04/70/86/553047086.db2.gz JJNWZKQOXBKREF-JTQLQIEISA-N 0 0 376.210 2.711 10 0 GFAERN O=C(c1cccc(I)c1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238903216 553087245 /nfs/dbraw/zinc/08/72/45/553087245.db2.gz RQXBQMUMPWHVHY-CQSZACIVSA-N 0 0 394.212 2.980 10 0 GFAERN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C[C@H](O)COC(C)(C)C ZINC000245902564 553099091 /nfs/dbraw/zinc/09/90/91/553099091.db2.gz LJLKXEUCKFMQKD-LSDHHAIUSA-N 0 0 388.302 2.771 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000245953434 553100467 /nfs/dbraw/zinc/10/04/67/553100467.db2.gz PYVOXDRSOJZWEF-JKSUJKDBSA-N 0 0 377.286 2.645 10 0 GFAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000246121756 553102878 /nfs/dbraw/zinc/10/28/78/553102878.db2.gz AVGKUTYXCCUMAX-OTYXRUKQSA-N 0 0 384.267 2.820 10 0 GFAERN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246282194 553105547 /nfs/dbraw/zinc/10/55/47/553105547.db2.gz ALUCHTHCRBKAMF-IOASZLSFSA-N 0 0 386.323 2.973 10 0 GFAERN COc1ccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)c(Br)c1OC ZINC000246503352 553108386 /nfs/dbraw/zinc/10/83/86/553108386.db2.gz QCCWBJXHWBCHOQ-DZGCQCFKSA-N 0 0 399.329 2.619 10 0 GFAERN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246573383 553109817 /nfs/dbraw/zinc/10/98/17/553109817.db2.gz VOLZPUMEKDPVBJ-XNJGSVPQSA-N 0 0 386.323 2.973 10 0 GFAERN C[C@H](C[C@@H](O)c1cccs1)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000246698303 553112065 /nfs/dbraw/zinc/11/20/65/553112065.db2.gz MSOYLGPMIANUHT-NPSOMJIGSA-N 0 0 385.551 2.875 10 0 GFAERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246967984 553116714 /nfs/dbraw/zinc/11/67/14/553116714.db2.gz QATNMDIVUDZEFW-KCQAQPDRSA-N 0 0 387.307 2.940 10 0 GFAERN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247741156 553124924 /nfs/dbraw/zinc/12/49/24/553124924.db2.gz NQKVRMKRNJDNMG-GXTWGEPZSA-N 0 0 383.279 2.918 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(OC)c(Br)n1 ZINC000248441707 553129551 /nfs/dbraw/zinc/12/95/51/553129551.db2.gz KISQITSDENEPKS-UHTWSYAYSA-N 0 0 397.269 2.799 10 0 GFAERN C[C@H]1CN(S(=O)(=O)CC[C@H]2CCCO2)c2cc(Br)ccc2O1 ZINC000248898519 553136613 /nfs/dbraw/zinc/13/66/13/553136613.db2.gz YJKQKQBANJNBJL-WCQYABFASA-N 0 0 390.299 2.935 10 0 GFAERN CC[C@H]1CN(C(=O)c2csc(Br)c2C)CCN1C[C@H](C)O ZINC000249284036 553141375 /nfs/dbraw/zinc/14/13/75/553141375.db2.gz HPLTXUVGMDTDDP-JQWIXIFHSA-N 0 0 375.332 2.736 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000262827697 553176757 /nfs/dbraw/zinc/17/67/57/553176757.db2.gz QSTFPPIQGSNZEE-PKSQDBQZSA-N 0 0 389.279 2.814 10 0 GFAERN CSc1cccc(NC(=O)[C@@H](C)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1 ZINC000263086890 553181921 /nfs/dbraw/zinc/18/19/21/553181921.db2.gz YBUKVYPDAWTDSQ-OASPWFOLSA-N 0 0 376.400 2.930 10 0 GFAERN O=S1(=O)N=C(N2CCc3cccc(Br)c3C2)c2ccccc21 ZINC000301256478 563397743 /nfs/dbraw/zinc/39/77/43/563397743.db2.gz BNVLILBBQJYTRG-UHFFFAOYSA-N 0 0 377.263 2.956 10 0 GFAERN OC[C@H]1CCCN1c1cc(N2CCc3cccc(Br)c3C2)ncn1 ZINC000301283134 563399396 /nfs/dbraw/zinc/39/93/96/563399396.db2.gz LLHLABLKDDTHKI-CQSZACIVSA-N 0 0 389.297 2.763 10 0 GFAERN CN1CC[C@@H](Nc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)C1=O ZINC000301332592 563400660 /nfs/dbraw/zinc/40/06/60/563400660.db2.gz AXBUWMDTQTYMMU-GFCCVEGCSA-N 0 0 387.654 2.835 10 0 GFAERN C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)Oc1ccccc1Br ZINC000301497448 563405203 /nfs/dbraw/zinc/40/52/03/563405203.db2.gz UTSGJKPKNHXSGZ-NSHDSACASA-N 0 0 395.278 2.955 10 0 GFAERN CC(C)n1cc(C[C@H]2NC(=O)N(Cc3ccc(Br)s3)C2=O)nn1 ZINC000328614318 563461480 /nfs/dbraw/zinc/46/14/80/563461480.db2.gz VPLKTQDYHSZGCA-LLVKDONJSA-N 0 0 398.286 2.551 10 0 GFAERN CCOC(=O)[C@@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@@H]1C ZINC000022066276 570303894 /nfs/dbraw/zinc/30/38/94/570303894.db2.gz KOVMAAYRBJCASY-XCZFOBESSA-N 0 0 398.503 2.551 10 0 in-vitro GFAERN COc1cccc(C2=NN(C(=O)CN(C)C(C)=O)[C@H](c3ccccc3OC)C2)c1 ZINC000035962506 570345133 /nfs/dbraw/zinc/34/51/33/570345133.db2.gz BWLAKWOWAWJCOW-FQEVSTJZSA-N 0 0 395.459 2.860 10 0 GFAERN CCC(CC)C(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C(=O)C2=O)CC1 ZINC000035376511 570346157 /nfs/dbraw/zinc/34/61/57/570346157.db2.gz CCQTWBRCDMPEGO-UHFFFAOYSA-N 0 0 399.535 2.593 10 0 GFAERN CC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000005580201 570447262 /nfs/dbraw/zinc/44/72/62/570447262.db2.gz MYPSVWWEKROPAO-LBPRGKRZSA-N 0 0 387.490 2.985 10 0 GFAERN Nc1nn(Cc2ccc(I)cc2)cc1Br ZINC000114587525 570649482 /nfs/dbraw/zinc/64/94/82/570649482.db2.gz XMJQXBQKPMNFTA-UHFFFAOYSA-N 0 0 378.011 2.881 10 0 GFAERN O=c1c2cc(-c3cccs3)nn2ccn1Cc1noc(CN2CCCCC2)n1 ZINC000065235989 570860682 /nfs/dbraw/zinc/86/06/82/570860682.db2.gz QWWRSQAZQVVPAO-UHFFFAOYSA-N 0 0 396.476 2.642 10 0 GFAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1 ZINC000027956948 654567483 /nfs/dbraw/zinc/56/74/83/654567483.db2.gz PDTNSDCIXULHIX-SNVBAGLBSA-N 0 0 377.871 2.684 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)c1ccc(Cl)s1 ZINC000041757526 654630826 /nfs/dbraw/zinc/63/08/26/654630826.db2.gz CMTJQFXYQXLCBQ-SNVBAGLBSA-N 0 0 375.841 2.798 10 0 GFAERN Cc1ccc(Cl)c(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)c1 ZINC000126440565 654814180 /nfs/dbraw/zinc/81/41/80/654814180.db2.gz DEDGIJLXMHEPEJ-LLVKDONJSA-N 0 0 377.853 2.714 10 0 GFAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000127713774 654833951 /nfs/dbraw/zinc/83/39/51/654833951.db2.gz FQJCMTYTQBYEEI-OAHLLOKOSA-N 0 0 382.844 2.934 10 0 GFAERN Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000127888085 654836824 /nfs/dbraw/zinc/83/68/24/654836824.db2.gz YWKZPGYPYJNEHJ-CYBMUJFWSA-N 0 0 384.299 2.807 10 0 GFAERN C[C@H](OC(=O)Cn1cc(Br)ccc1=O)c1ccc2c(c1)OCCO2 ZINC000066884167 654919780 /nfs/dbraw/zinc/91/97/80/654919780.db2.gz DFPRCZNNRHPDPS-NSHDSACASA-N 0 0 394.221 2.686 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)/C=C/c2cccc(Br)c2)C1 ZINC000066918586 654921386 /nfs/dbraw/zinc/92/13/86/654921386.db2.gz QDRUYYJVFAWOLV-BUUCAEBMSA-N 0 0 388.283 2.635 10 0 GFAERN O=C(CCCCc1ccc(Cl)c(Cl)c1)NC[C@H](O)CN1CCOCC1 ZINC000132468569 654938492 /nfs/dbraw/zinc/93/84/92/654938492.db2.gz ZGAIINZKLLESEU-HNNXBMFYSA-N 0 0 389.323 2.516 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(Cn2cc(C)cnc2=S)CC1 ZINC000133040744 654952890 /nfs/dbraw/zinc/95/28/90/654952890.db2.gz KAUGMYNRSTUUMX-UHFFFAOYSA-N 0 0 380.949 2.646 10 0 GFAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(=O)C(C)C ZINC000133673143 654970175 /nfs/dbraw/zinc/97/01/75/654970175.db2.gz ORXNIRSDZODGEM-UHFFFAOYSA-N 0 0 384.679 2.615 10 0 GFAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000072079155 655003359 /nfs/dbraw/zinc/00/33/59/655003359.db2.gz UOIWWOVNAQBOTP-NSHDSACASA-N 0 0 386.279 2.695 10 0 GFAERN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000096918444 655032536 /nfs/dbraw/zinc/03/25/36/655032536.db2.gz WHTYGUFIUPNPLF-ALCCZGGFSA-N 0 0 381.479 2.958 10 0 GFAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccnc(Cl)c1I ZINC000137208302 655038595 /nfs/dbraw/zinc/03/85/95/655038595.db2.gz QXERVRQZXZUKGD-YUMQZZPRSA-N 0 0 380.613 2.589 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(CC(=O)Nc2ccccc2Br)C1 ZINC000101565317 655044100 /nfs/dbraw/zinc/04/41/00/655044100.db2.gz YBCHFRDTAHHFJU-ZDUSSCGKSA-N 0 0 382.302 2.768 10 0 GFAERN S=c1n(CN2CCO[C@@H](c3nccs3)C2)nnn1-c1ccc(Cl)cc1 ZINC000152270707 655057959 /nfs/dbraw/zinc/05/79/59/655057959.db2.gz YXGNULCYHRZPTO-CYBMUJFWSA-N 0 0 394.913 2.939 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(Cn3nc(C)c(Br)c3C)C2)n1 ZINC000152732421 655061354 /nfs/dbraw/zinc/06/13/54/655061354.db2.gz ZVLMYWLGFDIAMZ-OAHLLOKOSA-N 0 0 381.322 2.840 10 0 GFAERN Cc1ncc(CN2CCN(CC(=O)NCc3cccc(Cl)c3)CC2)s1 ZINC000106091101 655102367 /nfs/dbraw/zinc/10/23/67/655102367.db2.gz PIYJCMWAPVRMGX-UHFFFAOYSA-N 0 0 378.929 2.539 10 0 GFAERN Cc1nc(CN2CCCN(Cc3cc(Br)ccc3F)CC2)no1 ZINC000106146568 655104033 /nfs/dbraw/zinc/10/40/33/655104033.db2.gz FVJXESIRCPQLTP-UHFFFAOYSA-N 0 0 383.265 2.988 10 0 GFAERN Brc1ccc(-c2nnc(CN3CCC[C@H](n4cncn4)C3)o2)o1 ZINC000106219098 655105290 /nfs/dbraw/zinc/10/52/90/655105290.db2.gz HZBWDLLHSJGNBM-JTQLQIEISA-N 0 0 379.218 2.521 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000108951372 655139615 /nfs/dbraw/zinc/13/96/15/655139615.db2.gz JMHZUPOADPCYLN-AWEZNQCLSA-N 0 0 385.555 2.945 10 0 GFAERN O=C(COc1ccc(Cl)c(Cl)c1)N1CCCN(c2cccnn2)CC1 ZINC000109629135 655149090 /nfs/dbraw/zinc/14/90/90/655149090.db2.gz AHWVGKJBYWNERD-UHFFFAOYSA-N 0 0 381.263 2.901 10 0 GFAERN CCn1cc(CN2CCCN(C(=O)c3nc(Cl)ccc3Cl)CC2)cn1 ZINC000109663211 655150083 /nfs/dbraw/zinc/15/00/83/655150083.db2.gz JKDFMRAJVHPTGY-UHFFFAOYSA-N 0 0 382.295 2.953 10 0 GFAERN O=C(COc1ccc(Br)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000110874759 655160998 /nfs/dbraw/zinc/16/09/98/655160998.db2.gz VUSXBDNMRWJTSH-CYBMUJFWSA-N 0 0 383.267 2.885 10 0 GFAERN S=c1oc(-c2ccccc2Cl)nn1CN1CC[C@H](N2CCOCC2)C1 ZINC000172959305 655161574 /nfs/dbraw/zinc/16/15/74/655161574.db2.gz LBDQCRVQDIYFFV-ZDUSSCGKSA-N 0 0 380.901 2.890 10 0 GFAERN CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1ccc(Br)cc1 ZINC000173276694 655166804 /nfs/dbraw/zinc/16/68/04/655166804.db2.gz PMPPRUUSAFMWRL-CQSZACIVSA-N 0 0 399.285 2.701 10 0 GFAERN C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCCO1 ZINC000111451840 655173112 /nfs/dbraw/zinc/17/31/12/655173112.db2.gz PDEODPNJLZIBQZ-WOSRLPQWSA-N 0 0 382.302 2.895 10 0 GFAERN C[C@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000111835022 655177729 /nfs/dbraw/zinc/17/77/29/655177729.db2.gz FJZICPZOMCHNPK-JTQLQIEISA-N 0 0 392.258 2.694 10 0 GFAERN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000173728205 655177914 /nfs/dbraw/zinc/17/79/14/655177914.db2.gz HOBVDVKNFVZKCU-LLVKDONJSA-N 0 0 377.363 2.894 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(Br)ccc3F)CCO2)c1 ZINC000112066365 655181610 /nfs/dbraw/zinc/18/16/10/655181610.db2.gz NMQNJQZJNNQHCA-ZDUSSCGKSA-N 0 0 382.233 2.634 10 0 GFAERN CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173901162 655184352 /nfs/dbraw/zinc/18/43/52/655184352.db2.gz VZJZSLYSMBOXNA-AWEZNQCLSA-N 0 0 398.301 2.786 10 0 GFAERN O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@H]1CCc2ncnn2C1 ZINC000112661533 655194676 /nfs/dbraw/zinc/19/46/76/655194676.db2.gz NPTXNOKSBKZMCL-QMMMGPOBSA-N 0 0 375.643 2.748 10 0 GFAERN CCN(C(=O)N[C@H](C)c1cccc(Br)c1)[C@@H](C)CS(C)(=O)=O ZINC000112715120 655196428 /nfs/dbraw/zinc/19/64/28/655196428.db2.gz OGVVAPHWSIVKCM-NWDGAFQWSA-N 0 0 391.331 2.975 10 0 GFAERN CCc1nnc(NC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)s1 ZINC000175302112 655219053 /nfs/dbraw/zinc/21/90/53/655219053.db2.gz SDVWGNOUASOLHQ-LBPRGKRZSA-N 0 0 381.527 2.699 10 0 GFAERN C[C@H](NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)c1ccccc1Br ZINC000175623391 655224061 /nfs/dbraw/zinc/22/40/61/655224061.db2.gz VEQGKOHRQLRZED-ZQIUZPCESA-N 0 0 396.329 2.872 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cc(F)cc(Br)c1 ZINC000175705039 655225497 /nfs/dbraw/zinc/22/54/97/655225497.db2.gz FHAZXOYUTSOFPD-ZDUSSCGKSA-N 0 0 382.237 2.822 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cc(F)cc(Br)c1 ZINC000175705055 655225651 /nfs/dbraw/zinc/22/56/51/655225651.db2.gz FHAZXOYUTSOFPD-CYBMUJFWSA-N 0 0 382.237 2.822 10 0 GFAERN O=C(N[C@@H]1CCCn2ncnc21)c1[nH]nc(-c2ccccc2)c1Br ZINC000175711356 655225901 /nfs/dbraw/zinc/22/59/01/655225901.db2.gz AGLMPGIZFGYPFS-LLVKDONJSA-N 0 0 387.241 2.696 10 0 GFAERN COC(=O)[C@H]1C[C@H]1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000114672422 655226905 /nfs/dbraw/zinc/22/69/05/655226905.db2.gz NRIJZHLCQIWTNH-SFYZADRCSA-N 0 0 397.147 2.533 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1cc(Br)cs1)CC2 ZINC000114871617 655229967 /nfs/dbraw/zinc/22/99/67/655229967.db2.gz JPGHXTLPJRGCTA-NSHDSACASA-N 0 0 383.315 2.728 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccc(Br)cc1 ZINC000176444574 655245715 /nfs/dbraw/zinc/24/57/15/655245715.db2.gz LCUUVVSPRFBRMM-AWEZNQCLSA-N 0 0 392.301 2.980 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3C)C2)n1 ZINC000116899762 655256247 /nfs/dbraw/zinc/25/62/47/655256247.db2.gz TZZMIWNGRSKSKH-HNNXBMFYSA-N 0 0 382.917 2.958 10 0 GFAERN CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000117236802 655261990 /nfs/dbraw/zinc/26/19/90/655261990.db2.gz QLQDCXVFLDZGMQ-GDBMZVCRSA-N 0 0 383.330 2.855 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2csc(-c3cccs3)n2)C[C@@H]1C ZINC000117278987 655262892 /nfs/dbraw/zinc/26/28/92/655262892.db2.gz FHBKCJSXTDTRNP-AWEZNQCLSA-N 0 0 379.551 2.983 10 0 GFAERN C[C@H](CNC(=O)N[C@@H]1CCCn2ncnc21)Oc1ccccc1Br ZINC000177376775 655274321 /nfs/dbraw/zinc/27/43/21/655274321.db2.gz GQWNMXPSPDRRPM-DGCLKSJQSA-N 0 0 394.273 2.642 10 0 GFAERN Cc1nn(CN2CCN(C[C@H](O)c3ccccc3)CC2)c(C)c1Br ZINC000118954122 655284381 /nfs/dbraw/zinc/28/43/81/655284381.db2.gz INVJMPLOSIUUNO-KRWDZBQOSA-N 0 0 393.329 2.571 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cnc(C2CC2)nc1)c1ccccc1Br ZINC000119243920 655294909 /nfs/dbraw/zinc/29/49/09/655294909.db2.gz QXBRKRAOFJJLJK-JTQLQIEISA-N 0 0 389.253 2.932 10 0 GFAERN COc1cc(/C=C/C(=O)NC[C@@H]2CCCC[C@@H]2O)cc(Br)c1O ZINC000180057132 655321424 /nfs/dbraw/zinc/32/14/24/655321424.db2.gz ABVNQHZQLSWGSS-UTTOWCGFSA-N 0 0 384.270 2.844 10 0 GFAERN Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)c1cc(Br)c[nH]1)[C@@H](C)C2 ZINC000180818741 655330603 /nfs/dbraw/zinc/33/06/03/655330603.db2.gz NAPYTNFQNVYMDO-BONVTDFDSA-N 0 0 391.269 2.963 10 0 GFAERN CC(=O)N1CCN(C(=O)[C@@H](C)N[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000120720861 655343131 /nfs/dbraw/zinc/34/31/31/655343131.db2.gz SHJNYOAZLPUTAT-GHMZBOCLSA-N 0 0 390.286 2.862 10 0 GFAERN CC(=O)N1CCN(C(=O)[C@@H](C)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000120720715 655343203 /nfs/dbraw/zinc/34/32/03/655343203.db2.gz SHJNYOAZLPUTAT-WDEREUQCSA-N 0 0 390.286 2.862 10 0 GFAERN C[C@H]1CC[C@@H](C(=O)OCc2nc(Cc3ccccc3Br)n[nH]2)O1 ZINC000185382448 655364227 /nfs/dbraw/zinc/36/42/27/655364227.db2.gz LOQRPJLYIVPLIO-GWCFXTLKSA-N 0 0 380.242 2.769 10 0 GFAERN NC(=O)[C@@H]1COCCN1C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 ZINC000299667469 655377692 /nfs/dbraw/zinc/37/76/92/655377692.db2.gz UCQGNMSYISTZNE-LYASGUKUSA-N 0 0 376.865 2.794 10 0 GFAERN O=C(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000193593705 655411192 /nfs/dbraw/zinc/41/11/92/655411192.db2.gz APCKKXBTOQKFIV-QWHCGFSZSA-N 0 0 377.384 2.764 10 0 GFAERN COCCn1c(C(=O)NCCCn2ccnc2)cc2oc(Br)cc21 ZINC000223715080 655422488 /nfs/dbraw/zinc/42/24/88/655422488.db2.gz KDVTXTNWDISNCQ-UHFFFAOYSA-N 0 0 395.257 2.660 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000262947379 655448087 /nfs/dbraw/zinc/44/80/87/655448087.db2.gz IHQMUBWFCKRSPM-CYBMUJFWSA-N 0 0 388.555 2.605 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cccc(C)c2Br)C1 ZINC000262970001 655448334 /nfs/dbraw/zinc/44/83/34/655448334.db2.gz AGEFHZHYWHYJKL-UHFFFAOYSA-N 0 0 384.274 2.817 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CCO1 ZINC000263528716 655452556 /nfs/dbraw/zinc/45/25/56/655452556.db2.gz VKNSYMOBGKKEOK-AWEZNQCLSA-N 0 0 380.794 2.576 10 0 GFAERN CC(=O)[C@@H]1CCCN(C(=O)c2cccc(F)c2I)C1 ZINC000707784289 655522229 /nfs/dbraw/zinc/52/22/29/655522229.db2.gz GWUKKWTUHLYBQM-SNVBAGLBSA-N 0 0 375.181 2.872 10 0 GFAERN O=C(Nc1nn(CC(F)(F)F)cc1Cl)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000911439823 664245517 /nfs/dbraw/zinc/24/55/17/664245517.db2.gz YSPXQNNLOAORCU-CBLAIPOGSA-N 0 0 381.807 2.996 10 0 GFAERN Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC000011872838 209889596 /nfs/dbraw/zinc/88/95/96/209889596.db2.gz SBWOVHJFSZLWBO-MJGOQNOKSA-N 0 0 378.476 2.745 10 0 GFAERN Cc1ccc(C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccccn4)CC3)O2)cc1 ZINC000011787982 209882653 /nfs/dbraw/zinc/88/26/53/209882653.db2.gz WVLOKUSTEWCJBC-LJQANCHMSA-N 0 0 393.487 2.974 10 0 GFAERN CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC(=O)C1CCCC1 ZINC000067890076 209758285 /nfs/dbraw/zinc/75/82/85/209758285.db2.gz OFRLZINXGXFKCB-APWZRJJASA-N 0 0 375.513 2.770 10 0 GFAERN CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(c2ccccc2C)=NO1 ZINC000006872215 209699952 /nfs/dbraw/zinc/69/99/52/209699952.db2.gz YCEVGJBSXGNEGR-LEWJYISDSA-N 0 0 393.487 2.742 10 0 GFAERN O=C(NCc1ccco1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002938279 209399151 /nfs/dbraw/zinc/39/91/51/209399151.db2.gz SPDTYLDHPPUHHS-UHFFFAOYSA-N 0 0 394.468 2.820 10 0 GFAERN O=Cc1ccc(OCCN2CCN(c3cc(Cl)nnc3Cl)CC2)cc1 ZINC000034850286 209246480 /nfs/dbraw/zinc/24/64/80/209246480.db2.gz SZNTVXYWXPFIDM-UHFFFAOYSA-N 0 0 381.263 2.797 10 0 GFAERN CN(C)c1ncnc2c1ncn2Cc1cccc(I)c1 ZINC000025975391 209241315 /nfs/dbraw/zinc/24/13/15/209241315.db2.gz HPDVTHASRPPIJC-UHFFFAOYSA-N 0 0 379.205 2.545 10 0 GFAERN Cc1c(N2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12 ZINC000004424175 209231243 /nfs/dbraw/zinc/23/12/43/209231243.db2.gz LPFFKRSIFTURFF-SUMWQHHRSA-N 0 0 385.439 2.511 10 0 GFAERN COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2ccc(CO)o2)CC1 ZINC000225839220 209187028 /nfs/dbraw/zinc/18/70/28/209187028.db2.gz VZCUHYORUBQYJK-UHFFFAOYSA-N 0 0 383.448 2.883 10 0 GFAERN CCOC(=O)C(=O)Nc1cnc(C)n1-c1nc(-c2cccc(OC)c2)cs1 ZINC000032641703 209179419 /nfs/dbraw/zinc/17/94/19/209179419.db2.gz YQSFDGIGZZPFTI-UHFFFAOYSA-N 0 0 386.433 2.814 10 0 GFAERN COc1cccc(CC(=O)N2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)c1 ZINC000328605737 209144527 /nfs/dbraw/zinc/14/45/27/209144527.db2.gz OYHBYFXMGFLIFM-SFHVURJKSA-N 0 0 398.507 2.503 10 0 GFAERN CCO[C@@H](C)c1noc(CN2CCCC[C@@H]2c2ccc(C(=O)NC)n2C)n1 ZINC000328623673 209148607 /nfs/dbraw/zinc/14/86/07/209148607.db2.gz CBKPTMCBBFHTDV-DZGCQCFKSA-N 0 0 375.473 2.592 10 0 GFAERN Cn1cnc2c1[C@@H](C(=O)NC1CCCCCC1)N(C(=O)c1ccccc1)CC2 ZINC000096091493 211300441 /nfs/dbraw/zinc/30/04/41/211300441.db2.gz LALWJCNYKDHCHA-FQEVSTJZSA-N 0 0 380.492 2.999 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@H](COC2=NS(=O)(=O)c3ccccc32)C1 ZINC000095085448 211217928 /nfs/dbraw/zinc/21/79/28/211217928.db2.gz QIANOEKHFHBULX-ZDUSSCGKSA-N 0 0 380.466 2.799 10 0 GFAERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=NS(=O)(=O)c2ccccc21 ZINC000095075037 211216799 /nfs/dbraw/zinc/21/67/99/211216799.db2.gz COERWEMTFJAAKQ-CQSZACIVSA-N 0 0 393.509 2.857 10 0 GFAERN O=C(NC(=S)NC[C@@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000071973948 211066109 /nfs/dbraw/zinc/06/61/09/211066109.db2.gz QYQFYSFNTICPBU-CQSZACIVSA-N 0 0 379.279 2.787 10 0 GFAERN O=C(NC1CC1)c1ccnc(N2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000067856668 211027678 /nfs/dbraw/zinc/02/76/78/211027678.db2.gz BUGXUJJFJMVAFR-JOCHJYFZSA-N 0 0 383.467 2.935 10 0 GFAERN CCn1ncc(CN(C)C(=O)c2cc(Cn3cnc4ccccc43)n[nH]2)c1C ZINC000067473506 211009511 /nfs/dbraw/zinc/00/95/11/211009511.db2.gz RLROWFQWWMWZNE-UHFFFAOYSA-N 0 0 377.452 2.605 10 0 GFAERN O=C(NCCc1ccncc1)[C@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000065266160 210982565 /nfs/dbraw/zinc/98/25/65/210982565.db2.gz QZDRTYFKJSUNBI-HXUWFJFHSA-N 0 0 392.503 2.858 10 0 GFAERN COCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2C)C[C@H]1c1cccc(OC)c1 ZINC000036045701 210705572 /nfs/dbraw/zinc/70/55/72/210705572.db2.gz ZFHBDPFUTREROG-LEWJYISDSA-N 0 0 396.487 2.622 10 0 GFAERN CCc1ccc([C@@H]2CC[C@H](C(=O)NCc3cccnc3)CN2C(=O)COC)cc1 ZINC000034710182 210662804 /nfs/dbraw/zinc/66/28/04/210662804.db2.gz UUFHOXJDZQYSMK-SFTDATJTSA-N 0 0 395.503 2.887 10 0 GFAERN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)n1ncn2c3ccoc3cc2c1=O ZINC000020863464 210365755 /nfs/dbraw/zinc/36/57/55/210365755.db2.gz UKNFWBIXFRMTMA-GJZGRUSLSA-N 0 0 378.432 2.941 10 0 GFAERN O=c1/c(=C\c2ccc(I)o2)sc2nc3ccccc3n12 ZINC000020534068 210346621 /nfs/dbraw/zinc/34/66/21/210346621.db2.gz ZGTPZXGQXOOAOX-YRNVUSSQSA-N 0 0 394.193 2.655 10 0 GFAERN Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000224180776 136206437 /nfs/dbraw/zinc/20/64/37/136206437.db2.gz FXPPXKKLULWDGM-UHFFFAOYSA-N 0 0 395.385 2.962 10 0 GFAERN CCc1nnc([C@H]2CN(S(=O)(=O)/C=C/c3ccccc3Cl)CCO2)o1 ZINC000275387696 522793745 /nfs/dbraw/zinc/79/37/45/522793745.db2.gz ZGHAFCYDUWBAEV-DNGMOHDESA-N 0 0 383.857 2.659 10 0 GFAERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000242156000 524236439 /nfs/dbraw/zinc/23/64/39/524236439.db2.gz WUZLDZBOVZKGBY-BDFQZXNOSA-N 0 0 396.491 2.714 10 0 GFAERN O=C([O-])[C@@H]1CCC[N@H+](Cc2nnn(-c3cc(F)cc(F)c3)c2-c2ccncc2)C1 ZINC000057345243 526272663 /nfs/dbraw/zinc/27/26/63/526272663.db2.gz PTQWXKZNBZXTPV-CQSZACIVSA-N 0 0 399.401 2.904 10 0 GFAERN Brc1cc(CN2CCC[C@@H](Cn3cncn3)C2)cc2c1OCO2 ZINC000171503958 551656706 /nfs/dbraw/zinc/65/67/06/551656706.db2.gz DBXBJVOFQLFDRE-GFCCVEGCSA-N 0 0 379.258 2.682 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000015359020 551111213 /nfs/dbraw/zinc/11/12/13/551111213.db2.gz XRDYQGXXLUDLBV-SNVBAGLBSA-N 0 0 391.873 2.922 10 0 GFAERN C[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1Br ZINC000018175275 551113524 /nfs/dbraw/zinc/11/35/24/551113524.db2.gz QRURNFIKUZTTGZ-JTQLQIEISA-N 0 0 398.282 2.979 10 0 GFAERN CSCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)NCc1cscn1 ZINC000033138916 551132746 /nfs/dbraw/zinc/13/27/46/551132746.db2.gz DBEHFIDWZWUVMP-AWEZNQCLSA-N 0 0 385.461 2.589 10 0 GFAERN C[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)c1ccc(Cl)c(Cl)c1 ZINC000056129791 551177354 /nfs/dbraw/zinc/17/73/54/551177354.db2.gz XHPKJVJOWYJNOF-VIFPVBQESA-N 0 0 379.251 2.973 10 0 GFAERN O=C(NC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccsc1 ZINC000057028784 551179777 /nfs/dbraw/zinc/17/97/77/551179777.db2.gz IOOZYCKEBNPCEQ-UKTHLTGXSA-N 0 0 376.503 2.943 10 0 GFAERN Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)c2cc(Br)ccc2n1 ZINC000112650825 551206495 /nfs/dbraw/zinc/20/64/95/551206495.db2.gz MOJGLEYKOAIADI-LBPRGKRZSA-N 0 0 386.253 2.642 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000116328409 551212339 /nfs/dbraw/zinc/21/23/39/551212339.db2.gz FDAIXISVMZVBMC-NSHDSACASA-N 0 0 389.445 2.549 10 0 GFAERN C[C@H]1CN([C@@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000121188443 551229205 /nfs/dbraw/zinc/22/92/05/551229205.db2.gz MOSQLVITBZYYMB-RYUDHWBXSA-N 0 0 382.473 2.922 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)COc2ccccc2Br)C1 ZINC000121217651 551229645 /nfs/dbraw/zinc/22/96/45/551229645.db2.gz UPEBONALYSOUHD-ZDUSSCGKSA-N 0 0 383.286 2.735 10 0 GFAERN CN(C(=O)Cc1ccccc1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122105478 551294564 /nfs/dbraw/zinc/29/45/64/551294564.db2.gz XJFSMGNUKYBPBY-OAHLLOKOSA-N 0 0 389.297 2.909 10 0 GFAERN C[C@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CCS1 ZINC000122514355 551299225 /nfs/dbraw/zinc/29/92/25/551299225.db2.gz MDSDOOOPANKNBB-JTQLQIEISA-N 0 0 382.287 2.999 10 0 GFAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 ZINC000123079535 551302751 /nfs/dbraw/zinc/30/27/51/551302751.db2.gz QVDLRLKGMNQMBX-UFGOTCBOSA-N 0 0 377.293 2.583 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)Cc1cc(Cl)ccc1F)CC2 ZINC000124218523 551312415 /nfs/dbraw/zinc/31/24/15/551312415.db2.gz OAUFJOGHWSCXGN-CYBMUJFWSA-N 0 0 386.880 2.628 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2cc(Br)ccc2F)cn1 ZINC000124224593 551312416 /nfs/dbraw/zinc/31/24/16/551312416.db2.gz QFCJPQYZNQYUMW-CQSZACIVSA-N 0 0 395.232 2.624 10 0 GFAERN COC(=O)C[C@H](NC(=O)Nc1ccnn1C)c1cccc(Br)c1 ZINC000125757220 551324385 /nfs/dbraw/zinc/32/43/85/551324385.db2.gz YSFZRYFJZCOFJG-LBPRGKRZSA-N 0 0 381.230 2.609 10 0 GFAERN O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130718413 551368171 /nfs/dbraw/zinc/36/81/71/551368171.db2.gz MJPSTQKWDGEPKZ-NOZJJQNGSA-N 0 0 389.677 2.708 10 0 GFAERN COc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1I ZINC000130811668 551369841 /nfs/dbraw/zinc/36/98/41/551369841.db2.gz OHHOPOQGENKVSN-BXKDBHETSA-N 0 0 375.206 2.597 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(Cl)cc(Br)c3)CCO2)[nH]1 ZINC000132877829 551380251 /nfs/dbraw/zinc/38/02/51/551380251.db2.gz SMTKKHLRHCIAAT-LBPRGKRZSA-N 0 0 399.676 2.997 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2cc(F)ccc2Br)C[C@H]1C ZINC000151156385 551407959 /nfs/dbraw/zinc/40/79/59/551407959.db2.gz UBKFYMGEEJHOOG-CYBMUJFWSA-N 0 0 387.293 2.700 10 0 GFAERN O=C(Cc1cccc(I)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151446009 551413806 /nfs/dbraw/zinc/41/38/06/551413806.db2.gz VAGKIIIUQTXQSV-PBHICJAKSA-N 0 0 399.272 2.987 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C)nc1Br ZINC000151470409 551414557 /nfs/dbraw/zinc/41/45/57/551414557.db2.gz NWNJVHDHUOAUAT-LLVKDONJSA-N 0 0 395.261 2.547 10 0 GFAERN CC(C)CC(=O)N[C@H](C(=O)N(C)Cc1cc(Br)cn1C)C(C)C ZINC000153712633 551458958 /nfs/dbraw/zinc/45/89/58/551458958.db2.gz NMLRRAVMAZAZOZ-INIZCTEOSA-N 0 0 386.334 2.933 10 0 GFAERN CN1CCO[C@H](CNC(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000154577918 551478405 /nfs/dbraw/zinc/47/84/05/551478405.db2.gz OWBBFLCVEGDNCQ-CQSZACIVSA-N 0 0 397.317 2.501 10 0 GFAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)n1 ZINC000154743031 551481947 /nfs/dbraw/zinc/48/19/47/551481947.db2.gz RZHANLGECJXUCB-SECBINFHSA-N 0 0 384.267 2.786 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)Cc1ccc(Br)cc1)CC2 ZINC000155166918 551493492 /nfs/dbraw/zinc/49/34/92/551493492.db2.gz DULXSIIYAWLHAN-DOMZBBRYSA-N 0 0 391.313 2.913 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000155342577 551497916 /nfs/dbraw/zinc/49/79/16/551497916.db2.gz HUNAIHQSYPJZKN-LLVKDONJSA-N 0 0 390.328 2.869 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(F)cc(Br)c1 ZINC000155439687 551499931 /nfs/dbraw/zinc/49/99/31/551499931.db2.gz OBNMLSPRAGTMEW-LBPRGKRZSA-N 0 0 383.221 2.591 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCc1cccc(Br)c1)CC2 ZINC000158033628 551546240 /nfs/dbraw/zinc/54/62/40/551546240.db2.gz IFSSNDFJKCJBOE-CQSZACIVSA-N 0 0 392.301 2.978 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000158554975 551553198 /nfs/dbraw/zinc/55/31/98/551553198.db2.gz PSMRIYZHRJICNE-ZANVPECISA-N 0 0 378.778 2.965 10 0 GFAERN CC(C)[C@@H](O)CC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000162498354 551609010 /nfs/dbraw/zinc/60/90/10/551609010.db2.gz HYARZDHZXFCQEG-AAEUAGOBSA-N 0 0 379.810 2.856 10 0 GFAERN CCN(CCS(C)(=O)=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000162930028 551614847 /nfs/dbraw/zinc/61/48/47/551614847.db2.gz LRARZKNRKVHFEX-LLVKDONJSA-N 0 0 377.304 2.586 10 0 GFAERN CCn1cc(Br)cc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000171241182 551650712 /nfs/dbraw/zinc/65/07/12/551650712.db2.gz FWBIQDAIOODONC-CYBMUJFWSA-N 0 0 397.294 2.919 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)CCS1 ZINC000171470340 551656094 /nfs/dbraw/zinc/65/60/94/551656094.db2.gz PNWMJTUHWNLOGW-JTQLQIEISA-N 0 0 375.416 2.674 10 0 GFAERN COC(=O)c1ccccc1-n1ncc(N2CCS[C@@H](C)C2)c(Cl)c1=O ZINC000171608537 551659101 /nfs/dbraw/zinc/65/91/01/551659101.db2.gz FOBWLKVEIGMYKA-NSHDSACASA-N 0 0 379.869 2.614 10 0 GFAERN Cc1cccc(C(=O)N2CCC[C@H](n3cncn3)C2)c1I ZINC000171661949 551660413 /nfs/dbraw/zinc/66/04/13/551660413.db2.gz PKSXHOXFCQENPU-LBPRGKRZSA-N 0 0 396.232 2.668 10 0 GFAERN Cc1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1I ZINC000171821739 551664646 /nfs/dbraw/zinc/66/46/46/551664646.db2.gz RMSAFXKJMNITSC-ZDUSSCGKSA-N 0 0 396.232 2.668 10 0 GFAERN CC(C)n1ccnc1CSc1nnc(-c2cncc(Br)c2)n1N ZINC000172525198 551680940 /nfs/dbraw/zinc/68/09/40/551680940.db2.gz WIXMJWJZFQQIAY-UHFFFAOYSA-N 0 0 394.302 2.886 10 0 GFAERN O=C(CCCOc1ccccc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000172760317 551686304 /nfs/dbraw/zinc/68/63/04/551686304.db2.gz YDATYDOVCKFFAY-HNNXBMFYSA-N 0 0 397.313 2.541 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)CCc3ccccc3Br)CCO2)[nH]1 ZINC000173096075 551695954 /nfs/dbraw/zinc/69/59/54/551695954.db2.gz HHAGLEKKEDYOIX-CQSZACIVSA-N 0 0 393.285 2.662 10 0 GFAERN CCn1cnnc1C1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000173339910 552083309 /nfs/dbraw/zinc/08/33/09/552083309.db2.gz VXFZARDYAKEDRI-UHFFFAOYSA-N 0 0 381.933 2.851 10 0 GFAERN CCn1nc(C)c(C(=O)N2CCCN(Cc3csc(C)n3)CC2)c1Cl ZINC000173568275 552088572 /nfs/dbraw/zinc/08/85/72/552088572.db2.gz OVYYIRRTFXKXSO-UHFFFAOYSA-N 0 0 381.933 2.978 10 0 GFAERN C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H]1N1CCOCC1 ZINC000173839539 552093718 /nfs/dbraw/zinc/09/37/18/552093718.db2.gz VKRUVBDDXKABFF-YOEHRIQHSA-N 0 0 393.325 2.660 10 0 GFAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]3Cn3ccnc3)cc(Cl)c2O1 ZINC000173837161 552093866 /nfs/dbraw/zinc/09/38/66/552093866.db2.gz RSLSXKZWUSZYIX-GXTWGEPZSA-N 0 0 381.885 2.713 10 0 GFAERN CC(C)n1cc(Br)cc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173888022 552095269 /nfs/dbraw/zinc/09/52/69/552095269.db2.gz MDOOZIKUBCBLQZ-XJKSGUPXSA-N 0 0 384.318 2.624 10 0 GFAERN CCc1cnc(CCNC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000174159855 552100723 /nfs/dbraw/zinc/10/07/23/552100723.db2.gz VTGMYKIOVLAAHO-LBPRGKRZSA-N 0 0 381.523 2.712 10 0 GFAERN COc1ccc(Br)c(S(=O)(=O)N[C@@H]2COc3ccccc32)c1 ZINC000175249432 552118838 /nfs/dbraw/zinc/11/88/38/552118838.db2.gz MHSPTNQOCZHJDT-CYBMUJFWSA-N 0 0 384.251 2.870 10 0 GFAERN COC(=O)c1ccc(CS(=O)(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000175380443 552120861 /nfs/dbraw/zinc/12/08/61/552120861.db2.gz VBPFHQUMEVMESU-HNNXBMFYSA-N 0 0 380.491 2.987 10 0 GFAERN CCc1csc([C@@H]2CCCN(C(=O)c3c(C)[nH]c(=O)nc3SC)C2)n1 ZINC000176303714 552138244 /nfs/dbraw/zinc/13/82/44/552138244.db2.gz HYVDFKIXMXDECX-LLVKDONJSA-N 0 0 378.523 2.839 10 0 GFAERN CC[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1 ZINC000176349795 552139460 /nfs/dbraw/zinc/13/94/60/552139460.db2.gz RTKVVOYYDGKXSG-NHYWBVRUSA-N 0 0 388.295 2.991 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000177003983 552149498 /nfs/dbraw/zinc/14/94/98/552149498.db2.gz PQVCQBOKRIWQKY-LBPRGKRZSA-N 0 0 378.351 2.558 10 0 GFAERN O=C(NCC1(c2cccc(Br)c2)CC1)N[C@@H]1CCCn2ncnc21 ZINC000177340124 552153516 /nfs/dbraw/zinc/15/35/16/552153516.db2.gz ZQBUWMNPYFDWCV-CQSZACIVSA-N 0 0 390.285 2.907 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)C(C)C ZINC000178419276 552170249 /nfs/dbraw/zinc/17/02/49/552170249.db2.gz BCKDALMHFQQFIO-CQSZACIVSA-N 0 0 382.302 2.551 10 0 GFAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000179255319 552188652 /nfs/dbraw/zinc/18/86/52/552188652.db2.gz OYDHTLIHFZHNQC-MFKMUULPSA-N 0 0 379.254 2.572 10 0 GFAERN C[C@@H](CNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CCOCC1 ZINC000179670098 552199822 /nfs/dbraw/zinc/19/98/22/552199822.db2.gz NQRQTBUGUOWPML-LBPRGKRZSA-N 0 0 383.279 2.630 10 0 GFAERN CCCCCOc1ccc(Br)cc1CN1CCOC[C@@H]1C(N)=O ZINC000179731883 552201376 /nfs/dbraw/zinc/20/13/76/552201376.db2.gz OVIDRNRHBBLXCO-OAHLLOKOSA-N 0 0 385.302 2.704 10 0 GFAERN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180031724 552210443 /nfs/dbraw/zinc/21/04/43/552210443.db2.gz YUUMSTSBQSPANL-BLLLJJGKSA-N 0 0 383.279 2.947 10 0 GFAERN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180972133 552241752 /nfs/dbraw/zinc/24/17/52/552241752.db2.gz IMZUMUBPZNUSCL-NSHDSACASA-N 0 0 375.281 2.686 10 0 GFAERN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H](Cn2cncn2)C1 ZINC000180972110 552241908 /nfs/dbraw/zinc/24/19/08/552241908.db2.gz IMZUMUBPZNUSCL-LLVKDONJSA-N 0 0 375.281 2.686 10 0 GFAERN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180981197 552242038 /nfs/dbraw/zinc/24/20/38/552242038.db2.gz SHUVYPJRXBZGJT-GFCCVEGCSA-N 0 0 389.308 2.827 10 0 GFAERN Cc1cc(Br)ccc1CC(=O)N1CCCN(c2cccnn2)CC1 ZINC000181212413 552250085 /nfs/dbraw/zinc/25/00/85/552250085.db2.gz FUMKCLYYWPBONL-UHFFFAOYSA-N 0 0 389.297 2.829 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(Br)cc1C ZINC000181331839 552253451 /nfs/dbraw/zinc/25/34/51/552253451.db2.gz SDNMPSKUQWDTJS-AWEZNQCLSA-N 0 0 393.285 2.689 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)c(Br)n1 ZINC000181339891 552253510 /nfs/dbraw/zinc/25/35/10/552253510.db2.gz HXKIKGZOFOTZGL-GFCCVEGCSA-N 0 0 390.237 2.731 10 0 GFAERN COc1cc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc(OC)c1Br ZINC000181737326 552266386 /nfs/dbraw/zinc/26/63/86/552266386.db2.gz SBZIJHKFFDQMPB-SECBINFHSA-N 0 0 397.225 2.816 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3ccc(Br)cc3C)CCO2)c1 ZINC000181801759 552268218 /nfs/dbraw/zinc/26/82/18/552268218.db2.gz MEJNRQULBSVCIK-QGZVFWFLSA-N 0 0 392.297 2.733 10 0 GFAERN COc1cc(Br)ccc1CCCN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000181923551 552270896 /nfs/dbraw/zinc/27/08/96/552270896.db2.gz JJROUDYHCPZSIT-MRXNPFEDSA-N 0 0 395.301 2.890 10 0 GFAERN Cc1cc(N2CCC[C@H](N[C@@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000182349837 552281587 /nfs/dbraw/zinc/28/15/87/552281587.db2.gz MBZYKLQKULSESX-QWRGUYRKSA-N 0 0 398.330 2.794 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)[C@@H](C)c2nc(-c3cccs3)no2)n1C ZINC000182374672 552282093 /nfs/dbraw/zinc/28/20/93/552282093.db2.gz WGWMMJJDNKKNKD-JTQLQIEISA-N 0 0 381.483 2.726 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)Cc2ccc(Br)s2)n1C ZINC000182378182 552282109 /nfs/dbraw/zinc/28/21/09/552282109.db2.gz IKDWHIWVHKKXLI-UHFFFAOYSA-N 0 0 378.317 2.878 10 0 GFAERN Cc1cc(NC(=O)N[C@H](C)c2nnc3n2CCCC3)cnc1Br ZINC000182426343 552283621 /nfs/dbraw/zinc/28/36/21/552283621.db2.gz BUIIFIDAHVERHZ-SNVBAGLBSA-N 0 0 379.262 2.963 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)n1 ZINC000182821743 552293814 /nfs/dbraw/zinc/29/38/14/552293814.db2.gz XLHBTOAIKHUSNY-KFWWJZLASA-N 0 0 392.253 2.844 10 0 GFAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCS[C@@H](C)C2)c1 ZINC000183022259 552298725 /nfs/dbraw/zinc/29/87/25/552298725.db2.gz VCPCCFUGSAUSSI-JTQLQIEISA-N 0 0 392.340 2.820 10 0 GFAERN O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCO[C@H]2CCCC[C@H]21 ZINC000183145082 552301368 /nfs/dbraw/zinc/30/13/68/552301368.db2.gz ZPQTZJUTGFBYON-KGLIPLIRSA-N 0 0 395.253 2.564 10 0 GFAERN CNc1nnc(CC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)s1 ZINC000183553428 552312964 /nfs/dbraw/zinc/31/29/64/552312964.db2.gz BHQGQPKIFYEJEN-GFCCVEGCSA-N 0 0 376.511 2.609 10 0 GFAERN COc1cc(C)c(Br)cc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000184537061 552338049 /nfs/dbraw/zinc/33/80/49/552338049.db2.gz IEEIXMHFBNGFMN-CYBMUJFWSA-N 0 0 398.301 2.705 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)Nc2cccnc2Br)C12CCOCC2 ZINC000184537339 552338099 /nfs/dbraw/zinc/33/80/99/552338099.db2.gz JJRWTGJNSNUVFE-OLZOCXBDSA-N 0 0 384.274 2.940 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Br)cc1F ZINC000185031817 552352050 /nfs/dbraw/zinc/35/20/50/552352050.db2.gz DIFIBKCOCQNAIY-SECBINFHSA-N 0 0 396.278 2.939 10 0 GFAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000185154603 552355874 /nfs/dbraw/zinc/35/58/74/552355874.db2.gz HGLGNUIKFCLBFC-CHWSQXEVSA-N 0 0 386.901 2.594 10 0 GFAERN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)c1ccc(F)c(Cl)c1 ZINC000185368535 552361397 /nfs/dbraw/zinc/36/13/97/552361397.db2.gz UHPUQQXVFKWRGM-JTQLQIEISA-N 0 0 385.848 2.615 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(OC)c(Br)n2)C12CCOCC2 ZINC000187076447 552405784 /nfs/dbraw/zinc/40/57/84/552405784.db2.gz XMRXWOCJQMZMKH-KGLIPLIRSA-N 0 0 399.285 2.557 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)COc2ccc(Br)cc2)C12CCOCC2 ZINC000187133555 552407226 /nfs/dbraw/zinc/40/72/26/552407226.db2.gz NMAOMCOZEQHOBU-JKSUJKDBSA-N 0 0 398.297 2.918 10 0 GFAERN Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000187232493 552409715 /nfs/dbraw/zinc/40/97/15/552409715.db2.gz BDFOVGODVCAEAH-LBPRGKRZSA-N 0 0 384.299 2.669 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(Br)ncc1Cl ZINC000187542627 552418425 /nfs/dbraw/zinc/41/84/25/552418425.db2.gz YHWMTJQKEWAOAG-SNVBAGLBSA-N 0 0 396.676 2.686 10 0 GFAERN Cc1cc(Br)cc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 ZINC000187589936 552419758 /nfs/dbraw/zinc/41/97/58/552419758.db2.gz RJAYFEBKDGCBEN-OAHLLOKOSA-N 0 0 376.254 2.976 10 0 GFAERN Cc1ccc(Br)cc1CNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000187674663 552421452 /nfs/dbraw/zinc/42/14/52/552421452.db2.gz OQRKVPJXFOCIEZ-WMLDXEAASA-N 0 0 396.329 2.620 10 0 GFAERN COC(=O)c1c(F)cccc1S(=O)(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000188023160 552431673 /nfs/dbraw/zinc/43/16/73/552431673.db2.gz APYVXSPMJBPLJN-ZDUSSCGKSA-N 0 0 384.454 2.903 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2ccc(F)cc2Br)C[C@@H]1C ZINC000188165769 552437568 /nfs/dbraw/zinc/43/75/68/552437568.db2.gz JJLLDHGZHVEGLM-ZDUSSCGKSA-N 0 0 387.293 2.700 10 0 GFAERN C[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccc(Br)cc1 ZINC000188773062 552455154 /nfs/dbraw/zinc/45/51/54/552455154.db2.gz XQNFVGKKOAWSCL-NSHDSACASA-N 0 0 380.286 2.820 10 0 GFAERN Cc1cc(SCC(=O)N2CCCNC(=O)[C@@H]2C)c(C)cc1Br ZINC000188954151 552459222 /nfs/dbraw/zinc/45/92/22/552459222.db2.gz UEPHKHIOZDOGNX-LBPRGKRZSA-N 0 0 385.327 2.895 10 0 GFAERN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000189455045 552471750 /nfs/dbraw/zinc/47/17/50/552471750.db2.gz NFWSWCPDWYYJAH-JQWIXIFHSA-N 0 0 376.425 2.868 10 0 GFAERN CCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1)CC2 ZINC000190577221 552501840 /nfs/dbraw/zinc/50/18/40/552501840.db2.gz BJOISCLRLBEQCN-ZBEGNZNMSA-N 0 0 383.279 2.966 10 0 GFAERN C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(F)cc(F)c2Br)CCO1 ZINC000190617682 552503424 /nfs/dbraw/zinc/50/34/24/552503424.db2.gz RJAQQDPCZBEJGU-JTQLQIEISA-N 0 0 378.217 2.522 10 0 GFAERN O=C(NC1CN(C(=O)C2(c3ccccc3Br)CC2)C1)C1CCC1 ZINC000191048307 552517525 /nfs/dbraw/zinc/51/75/25/552517525.db2.gz XGQFQHODEHRLOU-UHFFFAOYSA-N 0 0 377.282 2.608 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)c3cc(OC)ccc3Br)CCO2)cn1 ZINC000191713624 552535604 /nfs/dbraw/zinc/53/56/04/552535604.db2.gz UJWHBVVUHOVGPL-MRXNPFEDSA-N 0 0 394.269 2.888 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)c3ccc(Br)cc3O)CCO2)cn1 ZINC000191805520 552538425 /nfs/dbraw/zinc/53/84/25/552538425.db2.gz XPQTYDSADLXJTL-HNNXBMFYSA-N 0 0 380.242 2.585 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)[C@H]1CCCO1 ZINC000191928672 552543124 /nfs/dbraw/zinc/54/31/24/552543124.db2.gz YVIVLYRUYSDUOF-GZMMTYOYSA-N 0 0 375.650 2.725 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cn1)c1ccc(F)c(F)c1 ZINC000192829294 552975255 /nfs/dbraw/zinc/97/52/55/552975255.db2.gz VOJCEDDDCMDXFO-MRVPVSSYSA-N 0 0 384.180 2.938 10 0 GFAERN Cc1c(Br)ccc(NC(=O)C(=O)N2CCS[C@H](C)C2)c1F ZINC000192883573 552977026 /nfs/dbraw/zinc/97/70/26/552977026.db2.gz CEKDTAQLRBZMME-MRVPVSSYSA-N 0 0 375.263 2.799 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)C2)cn1 ZINC000193560223 552996816 /nfs/dbraw/zinc/99/68/16/552996816.db2.gz ONEZISLMNUOJJX-ZBEGNZNMSA-N 0 0 376.254 2.502 10 0 GFAERN CCCCN(C)S(=O)(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193957171 553008277 /nfs/dbraw/zinc/00/82/77/553008277.db2.gz LEKUWLXVLIISOX-ZDUSSCGKSA-N 0 0 375.560 2.791 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(Br)c(C)c3F)CCO2)[nH]1 ZINC000194191274 553014440 /nfs/dbraw/zinc/01/44/40/553014440.db2.gz XJVWUQFJOHPSQC-GFCCVEGCSA-N 0 0 398.236 2.929 10 0 GFAERN CC[C@@H](NC(=O)CS(=O)(=O)Cc1nccn1CC)c1ccc(Cl)cc1 ZINC000194421475 553020579 /nfs/dbraw/zinc/02/05/79/553020579.db2.gz PMLCMMPSSMMJEA-OAHLLOKOSA-N 0 0 383.901 2.739 10 0 GFAERN CCn1c(C)nnc1CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000194685308 553026813 /nfs/dbraw/zinc/02/68/13/553026813.db2.gz SRYYZBWFZWPZFZ-MRXNPFEDSA-N 0 0 382.251 2.880 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)cc1Br ZINC000195273937 553043840 /nfs/dbraw/zinc/04/38/40/553043840.db2.gz AXDIJKKUMMPGJB-CQSZACIVSA-N 0 0 375.222 2.946 10 0 GFAERN COCCN1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1C ZINC000245530848 553091964 /nfs/dbraw/zinc/09/19/64/553091964.db2.gz CHRJCUHUQJTCDQ-DYVFJYSZSA-N 0 0 386.323 2.751 10 0 GFAERN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCCC[C@H]1O ZINC000245639044 553094293 /nfs/dbraw/zinc/09/42/93/553094293.db2.gz HFVZRRSEZNNHTE-HRCADAONSA-N 0 0 384.929 2.611 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000245691853 553095529 /nfs/dbraw/zinc/09/55/29/553095529.db2.gz APXJDRRDSMZXDN-VKJFTORMSA-N 0 0 395.341 2.807 10 0 GFAERN Cc1nc(C[C@@H]2CCCN([C@@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000245920816 553099596 /nfs/dbraw/zinc/09/95/96/553099596.db2.gz UAVGPVNANRRQEJ-BLLLJJGKSA-N 0 0 393.285 2.622 10 0 GFAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246903898 553115037 /nfs/dbraw/zinc/11/50/37/553115037.db2.gz HYQVQVKGBGZAOY-DCGLDWPTSA-N 0 0 387.307 2.940 10 0 GFAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)cc1I ZINC000247109198 553119057 /nfs/dbraw/zinc/11/90/57/553119057.db2.gz IRSAFFHMRHMVRU-JQWIXIFHSA-N 0 0 388.224 2.739 10 0 GFAERN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000248436049 553129370 /nfs/dbraw/zinc/12/93/70/553129370.db2.gz GDIIBDNIUQIRMC-GXTWGEPZSA-N 0 0 385.251 2.708 10 0 GFAERN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000248842005 553135736 /nfs/dbraw/zinc/13/57/36/553135736.db2.gz LXEILBFLGKWKBF-UONOGXRCSA-N 0 0 385.251 2.708 10 0 GFAERN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000248837693 553135754 /nfs/dbraw/zinc/13/57/54/553135754.db2.gz KJPZFPFABDUZSA-CJNGLKHVSA-N 0 0 384.263 2.805 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000262527879 553172033 /nfs/dbraw/zinc/17/20/33/553172033.db2.gz RZTBPDUVFWNJTK-GFCCVEGCSA-N 0 0 388.295 2.803 10 0 GFAERN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CC(F)(F)CN1 ZINC000263283146 553185411 /nfs/dbraw/zinc/18/54/11/553185411.db2.gz UOBCXCKDNDOSIZ-DZGCQCFKSA-N 0 0 375.822 2.557 10 0 GFAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(Br)cc1Br ZINC000282084617 563396932 /nfs/dbraw/zinc/39/69/32/563396932.db2.gz LRAYYBKSKOLVFW-HQJQHLMTSA-N 0 0 390.075 2.609 10 0 GFAERN Cn1ncc(NC2CCN(C(=O)C3CCCCC3)CC2)c(Br)c1=O ZINC000301232466 563397260 /nfs/dbraw/zinc/39/72/60/563397260.db2.gz JUVBVUJBFZKJKC-UHFFFAOYSA-N 0 0 397.317 2.526 10 0 GFAERN CS(=O)(=O)[C@@H]1CCC[C@H](Nc2cnn(-c3ccccc3)c(=O)c2Cl)C1 ZINC000301382502 563402115 /nfs/dbraw/zinc/40/21/15/563402115.db2.gz ZEOFPKQWWSEIEU-GXTWGEPZSA-N 0 0 381.885 2.654 10 0 GFAERN CS(=O)(=O)[C@H]1CCC[C@@H](Nc2cnn(-c3ccccc3)c(=O)c2Cl)C1 ZINC000301382504 563402176 /nfs/dbraw/zinc/40/21/76/563402176.db2.gz ZEOFPKQWWSEIEU-OCCSQVGLSA-N 0 0 381.885 2.654 10 0 GFAERN Cn1ncc(NCCc2ccc(Br)o2)c(Br)c1=O ZINC000301686683 563410431 /nfs/dbraw/zinc/41/04/31/563410431.db2.gz IHJKFNDRLRSFGH-UHFFFAOYSA-N 0 0 377.036 2.553 10 0 GFAERN CCc1nc2sccc2c(NC[C@H](O)CS(=O)(=O)c2cccs2)n1 ZINC000301847266 563413905 /nfs/dbraw/zinc/41/39/05/563413905.db2.gz UUGLUJBWJQYXQD-JTQLQIEISA-N 0 0 383.520 2.562 10 0 GFAERN O=C(Nc1nncs1)c1ccc(N[C@H](CO)c2ccc(Cl)cc2)nc1 ZINC000301965797 563417684 /nfs/dbraw/zinc/41/76/84/563417684.db2.gz XIODQXIDBIHLTF-CYBMUJFWSA-N 0 0 375.841 2.984 10 0 GFAERN CS(=O)(=O)CCN1CCN(c2nc(-c3ccccc3Cl)cs2)CC1 ZINC000302074946 563419997 /nfs/dbraw/zinc/41/99/97/563419997.db2.gz IOMRHPUGDBXOCH-UHFFFAOYSA-N 0 0 385.942 2.630 10 0 GFAERN CCOC(=O)N1CCC[C@@H]([C@H](C)Nc2ncc(Br)c(NC)n2)C1 ZINC000302538175 563426124 /nfs/dbraw/zinc/42/61/24/563426124.db2.gz NCLPKPTVCHYOFY-WDEREUQCSA-N 0 0 386.294 2.950 10 0 GFAERN O=S(=O)(NC[C@H]1CCn2ccnc2C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000328631683 563461581 /nfs/dbraw/zinc/46/15/81/563461581.db2.gz RHMAPXXLSZSAIS-JTQLQIEISA-N 0 0 377.363 2.582 10 0 GFAERN CN(C)c1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CSCCS3)CC2)cn1 ZINC000328633735 563461692 /nfs/dbraw/zinc/46/16/92/563461692.db2.gz MGBQDXDFERSSGN-ZBFHGGJFSA-N 0 0 380.583 2.789 10 0 GFAERN COCCNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 ZINC000006833402 570409140 /nfs/dbraw/zinc/40/91/40/570409140.db2.gz MFLZUHOJFNIELM-INIZCTEOSA-N 0 0 380.872 2.604 10 0 GFAERN CC[C@@H]1CN(CCNC(=O)c2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000012024863 570598717 /nfs/dbraw/zinc/59/87/17/570598717.db2.gz IQXISJOAPJQDGM-QGZVFWFLSA-N 0 0 398.459 2.827 10 0 GFAERN COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]2C[C@@H](O)C2)cc1F ZINC000244874424 570697874 /nfs/dbraw/zinc/69/78/74/570697874.db2.gz XBASCGPLRQQFPJ-ZRGWGRIASA-N 0 0 379.453 2.933 10 0 GFAERN O=C(NC1CCCC1)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928524 570755659 /nfs/dbraw/zinc/75/56/59/570755659.db2.gz VVYZHDOAHFDHTK-OAHLLOKOSA-N 0 0 384.455 2.647 10 0 GFAERN Cn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)Nc1ccc(F)cc1F)C2 ZINC000064893549 570756877 /nfs/dbraw/zinc/75/68/77/570756877.db2.gz QSKBEHGLPBQMTC-UHFFFAOYSA-N 0 0 389.406 2.525 10 0 GFAERN CCOC(=O)[C@@](NCc1ccc(F)cc1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000022022928 570777827 /nfs/dbraw/zinc/77/78/27/570777827.db2.gz NHPVTFBIWFFYKX-QGZVFWFLSA-N 0 0 399.344 2.562 10 0 GFAERN COc1ccc(NC(=O)N2CCN(c3nc4ccccc4n3C)CC2)c(OC)c1 ZINC000033106526 570811073 /nfs/dbraw/zinc/81/10/73/570811073.db2.gz ZZLQWQPPBDPTCR-UHFFFAOYSA-N 0 0 395.463 2.945 10 0 GFAERN O=S(=O)(c1ccc(Br)s1)N1CC[C@H](Oc2cccnc2)C1 ZINC000097015862 570886657 /nfs/dbraw/zinc/88/66/57/570886657.db2.gz MEOKFFOUSQTXHR-NSHDSACASA-N 0 0 389.296 2.748 10 0 GFAERN COc1cc(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc(OC)c1OC ZINC000004924074 570897257 /nfs/dbraw/zinc/89/72/57/570897257.db2.gz VNYUAAQHWCSWOY-OAHLLOKOSA-N 0 0 384.432 2.667 10 0 GFAERN Cc1ccc([C@H](C)NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1 ZINC000027956951 654567493 /nfs/dbraw/zinc/56/74/93/654567493.db2.gz PDTNSDCIXULHIX-JTQLQIEISA-N 0 0 377.871 2.684 10 0 GFAERN C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1Br ZINC000027951656 654567588 /nfs/dbraw/zinc/56/75/88/654567588.db2.gz CHHVRMAHNVSTTO-QMMMGPOBSA-N 0 0 378.679 2.876 10 0 GFAERN C[C@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1Br ZINC000030982669 654590849 /nfs/dbraw/zinc/59/08/49/654590849.db2.gz QXDFURKIPBBOBY-JTQLQIEISA-N 0 0 398.282 2.979 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccs1 ZINC000048881705 654713406 /nfs/dbraw/zinc/71/34/06/654713406.db2.gz NDIFTRMKJHBCCZ-VIFPVBQESA-N 0 0 388.417 2.560 10 0 GFAERN C[C@@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000049788097 654716070 /nfs/dbraw/zinc/71/60/70/654716070.db2.gz MDNOOHZUKADVQD-ZYHUDNBSSA-N 0 0 394.324 2.778 10 0 GFAERN COCCN1CCN(C(=O)Nc2cc(F)c(Br)cc2F)C[C@H]1C ZINC000121961170 654725861 /nfs/dbraw/zinc/72/58/61/654725861.db2.gz HWILVZNNMVIVMP-SNVBAGLBSA-N 0 0 392.244 2.912 10 0 GFAERN C[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1Br ZINC000053367915 654745250 /nfs/dbraw/zinc/74/52/50/654745250.db2.gz CEYUGNKZVALZHD-MRVPVSSYSA-N 0 0 389.296 2.649 10 0 GFAERN COc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000055949357 654784600 /nfs/dbraw/zinc/78/46/00/654784600.db2.gz PWRLPHWBQKCYPS-CQSZACIVSA-N 0 0 380.491 2.857 10 0 GFAERN Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)c1 ZINC000127888327 654836850 /nfs/dbraw/zinc/83/68/50/654836850.db2.gz YWKZPGYPYJNEHJ-ZDUSSCGKSA-N 0 0 384.299 2.807 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F)c1cccs1 ZINC000061884243 654843153 /nfs/dbraw/zinc/84/31/53/654843153.db2.gz XEYCCEMTLWZFBA-SECBINFHSA-N 0 0 388.417 2.560 10 0 GFAERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000128424471 654846449 /nfs/dbraw/zinc/84/64/49/654846449.db2.gz IPZYOEXEKFELNP-CYBMUJFWSA-N 0 0 384.864 2.559 10 0 GFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000130444992 654888142 /nfs/dbraw/zinc/88/81/42/654888142.db2.gz KHIACORDMBKRKU-LBPRGKRZSA-N 0 0 393.285 2.793 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)NC[C@H]3CSCCS3)CC2)cs1 ZINC000132294531 654932091 /nfs/dbraw/zinc/93/20/91/654932091.db2.gz LNECOIWZLIWAGI-HNNXBMFYSA-N 0 0 386.612 2.517 10 0 GFAERN C[C@@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccc(F)c(Cl)c1 ZINC000069083885 654972619 /nfs/dbraw/zinc/97/26/19/654972619.db2.gz OBSXWACTEDTOOB-LLVKDONJSA-N 0 0 391.896 2.559 10 0 GFAERN CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000134283985 654989297 /nfs/dbraw/zinc/98/92/97/654989297.db2.gz UTMYAYRPYSYBNJ-WBVHZDCISA-N 0 0 395.341 2.951 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1cccc(Br)c1 ZINC000070705176 654993774 /nfs/dbraw/zinc/99/37/74/654993774.db2.gz CEGTZMRVUVOGLA-CYBMUJFWSA-N 0 0 376.272 2.559 10 0 GFAERN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000093886942 655021655 /nfs/dbraw/zinc/02/16/55/655021655.db2.gz VIAAHODVBWGIGB-KBPBESRZSA-N 0 0 376.400 2.643 10 0 GFAERN C[C@@H]1CN(C(=O)Nc2cc(F)ccc2Br)C[C@H]1N1CCOCC1 ZINC000136446683 655031747 /nfs/dbraw/zinc/03/17/47/655031747.db2.gz GRQLYMFOSSZBOW-IAQYHMDHSA-N 0 0 386.265 2.773 10 0 GFAERN CC(C)(C)n1cc(CN2CCN(C(=O)C[C@@H]3CSCCS3)CC2)cn1 ZINC000151449892 655051482 /nfs/dbraw/zinc/05/14/82/655051482.db2.gz YOHRHUVOMKWNSF-MRXNPFEDSA-N 0 0 382.599 2.521 10 0 GFAERN Cc1ccsc1-c1nn(CN2CCO[C@@H](Cn3cccn3)C2)c(=S)o1 ZINC000152846118 655062431 /nfs/dbraw/zinc/06/24/31/655062431.db2.gz YGRZKHUGDRKLIF-CYBMUJFWSA-N 0 0 377.495 2.798 10 0 GFAERN O[C@H](CN1CCC(Nc2cccnn2)CC1)c1ccccc1Br ZINC000152931277 655062968 /nfs/dbraw/zinc/06/29/68/655062968.db2.gz ZQBYSQCSSWSHTR-MRXNPFEDSA-N 0 0 377.286 2.849 10 0 GFAERN CCC1(CC)NC(=O)N(CC(=O)N[C@@H](C)c2cccc(Br)c2)C1=O ZINC000105845572 655099152 /nfs/dbraw/zinc/09/91/52/655099152.db2.gz XKQOHESJHMRDJB-NSHDSACASA-N 0 0 396.285 2.737 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000106367941 655107437 /nfs/dbraw/zinc/10/74/37/655107437.db2.gz VVDDEQWNQCFHCR-LBPRGKRZSA-N 0 0 399.314 2.629 10 0 GFAERN Cc1nc(C)c(CCNC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000108434301 655132651 /nfs/dbraw/zinc/13/26/51/655132651.db2.gz DGHMPGVAKIESPH-LLVKDONJSA-N 0 0 381.523 2.766 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000109666770 655150133 /nfs/dbraw/zinc/15/01/33/655150133.db2.gz FJTODEAOBYCRMZ-UHFFFAOYSA-N 0 0 384.311 2.586 10 0 GFAERN O=Cc1ccc(OCC(=O)N[C@@H]2COc3ccccc32)c(Br)c1 ZINC000172914070 655160457 /nfs/dbraw/zinc/16/04/57/655160457.db2.gz LSIGMSSZOSMQPW-CQSZACIVSA-N 0 0 376.206 2.890 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(F)cc(Br)c3)CCO2)n1 ZINC000110897827 655161436 /nfs/dbraw/zinc/16/14/36/655161436.db2.gz NUQGCIXCRQRRSP-INIZCTEOSA-N 0 0 396.260 2.943 10 0 GFAERN CC[S@](=O)c1ccccc1C(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000110940734 655162215 /nfs/dbraw/zinc/16/22/15/655162215.db2.gz OVWVWGWWUWYXOU-RUZDIDTESA-N 0 0 377.535 2.537 10 0 GFAERN CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1cccc(Br)c1 ZINC000173053484 655162413 /nfs/dbraw/zinc/16/24/13/655162413.db2.gz YOPHFHDORJDXIB-CQSZACIVSA-N 0 0 399.285 2.701 10 0 GFAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083186 655164238 /nfs/dbraw/zinc/16/42/38/655164238.db2.gz RWQNRLYEVLKCRD-GXTWGEPZSA-N 0 0 384.263 2.885 10 0 GFAERN O=C(c1cc(Br)ccc1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000111085871 655164421 /nfs/dbraw/zinc/16/44/21/655164421.db2.gz CVKXPLFDUCEGMA-LBPRGKRZSA-N 0 0 384.661 2.840 10 0 GFAERN O=S(=O)(c1cccc(Br)c1)N1CCO[C@H](c2nccs2)C1 ZINC000111343498 655169242 /nfs/dbraw/zinc/16/92/42/655169242.db2.gz ZYSFYEQEHHSMGI-LBPRGKRZSA-N 0 0 389.296 2.668 10 0 GFAERN C[C@@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1Br ZINC000173766313 655180667 /nfs/dbraw/zinc/18/06/67/655180667.db2.gz FUYYJLSNYKTJDX-KGLIPLIRSA-N 0 0 382.302 2.626 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(Br)c(F)c3)CCO2)c1 ZINC000112061040 655181324 /nfs/dbraw/zinc/18/13/24/655181324.db2.gz BBRFPAAHKOZZQQ-ZDUSSCGKSA-N 0 0 382.233 2.634 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3ccc(Cl)c(Cl)c3)CCO2)c1 ZINC000112065909 655181530 /nfs/dbraw/zinc/18/15/30/655181530.db2.gz BLDHKUSERIRRQB-AWEZNQCLSA-N 0 0 384.263 2.805 10 0 GFAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3Cl)CCO2)c1 ZINC000112093621 655182111 /nfs/dbraw/zinc/18/21/11/655182111.db2.gz MLUUFRZKNHFVHU-LBPRGKRZSA-N 0 0 390.292 2.588 10 0 GFAERN O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000173908050 655184945 /nfs/dbraw/zinc/18/49/45/655184945.db2.gz XJCKUEMSTWWBQH-CXAGYDPISA-N 0 0 394.313 2.553 10 0 GFAERN C[C@@H](NC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccc(F)c(Cl)c1 ZINC000173963642 655187548 /nfs/dbraw/zinc/18/75/48/655187548.db2.gz VVTVIYVKAYHDDM-SNVBAGLBSA-N 0 0 388.852 2.603 10 0 GFAERN O=C(NCc1ccc(F)cc1Br)N1CCC[C@@H](n2cncn2)C1 ZINC000174265614 655196289 /nfs/dbraw/zinc/19/62/89/655196289.db2.gz NAJDSQLCIFSLNJ-CYBMUJFWSA-N 0 0 382.237 2.726 10 0 GFAERN O=C(Nc1ccc(I)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000174289476 655197471 /nfs/dbraw/zinc/19/74/71/655197471.db2.gz NLPPQLJUFOCUEC-ZDUSSCGKSA-N 0 0 397.220 2.752 10 0 GFAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000113373541 655208983 /nfs/dbraw/zinc/20/89/83/655208983.db2.gz PBQWTBHKQXKWKB-NWDGAFQWSA-N 0 0 391.331 2.975 10 0 GFAERN Cn1cc([C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)CCC(=O)N2C)cn1 ZINC000115201647 655233257 /nfs/dbraw/zinc/23/32/57/655233257.db2.gz WYMBCZGSAHNCSG-ZBFHGGJFSA-N 0 0 391.269 2.731 10 0 GFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000115389242 655236853 /nfs/dbraw/zinc/23/68/53/655236853.db2.gz CMUMNMWSGMMSMG-UHFFFAOYSA-N 0 0 382.295 2.697 10 0 GFAERN CCc1cnc(CN(C)C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000176179532 655238646 /nfs/dbraw/zinc/23/86/46/655238646.db2.gz YQTDCWPPFCBYHX-CQSZACIVSA-N 0 0 379.507 2.766 10 0 GFAERN Cc1cc(CCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1Br ZINC000176197793 655239388 /nfs/dbraw/zinc/23/93/88/655239388.db2.gz SJLUZXORSWBECT-MAUKXSAKSA-N 0 0 395.341 2.869 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)c3cccc(I)c3)C2)cn1 ZINC000116114549 655244183 /nfs/dbraw/zinc/24/41/83/655244183.db2.gz OLCUNGXWRGEIGN-LBPRGKRZSA-N 0 0 381.217 2.654 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)COc3ccc(Br)cc3F)C2)cn1 ZINC000116116053 655244220 /nfs/dbraw/zinc/24/42/20/655244220.db2.gz LUOKFGPOCNUNTO-LLVKDONJSA-N 0 0 382.233 2.717 10 0 GFAERN CCOc1c(Br)cc(C(=O)NCCn2cc(C)cn2)cc1OC ZINC000117810914 655268365 /nfs/dbraw/zinc/26/83/65/655268365.db2.gz FBCXNDVHLQBIRP-UHFFFAOYSA-N 0 0 382.258 2.791 10 0 GFAERN Cc1cnn(CCNS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000117927722 655270179 /nfs/dbraw/zinc/27/01/79/655270179.db2.gz KWOBVNMZMFJMNE-UHFFFAOYSA-N 0 0 378.679 2.586 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000177687398 655286130 /nfs/dbraw/zinc/28/61/30/655286130.db2.gz GTGMWYAVMRCHAU-TVQRCGJNSA-N 0 0 397.248 2.907 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3c(Cl)n(C)nc3C(C)C)CC2)s1 ZINC000119969130 655323402 /nfs/dbraw/zinc/32/34/02/655323402.db2.gz SAACNWPIYYBDRD-UHFFFAOYSA-N 0 0 381.933 2.920 10 0 GFAERN Brc1ccc2ncc(CN3CCC(Nc4cccnn4)CC3)n2c1 ZINC000120278040 655333795 /nfs/dbraw/zinc/33/37/95/655333795.db2.gz DBEXLRYBMUYPDI-UHFFFAOYSA-N 0 0 387.285 2.963 10 0 GFAERN Cc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)c(Br)c1 ZINC000120495564 655337192 /nfs/dbraw/zinc/33/71/92/655337192.db2.gz GGXHUUMJPWMXAE-UHFFFAOYSA-N 0 0 387.285 2.517 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)n1 ZINC000185633405 655365376 /nfs/dbraw/zinc/36/53/76/655365376.db2.gz DTVJTQALNDBCHI-SNVBAGLBSA-N 0 0 384.267 2.853 10 0 GFAERN CCn1cc([C@@H]2CN(Cn3nc(N4CCCC4)sc3=S)CCO2)cn1 ZINC000189849164 655388737 /nfs/dbraw/zinc/38/87/37/655388737.db2.gz OQGCIGTWJTYIQK-AWEZNQCLSA-N 0 0 380.543 2.522 10 0 GFAERN CCn1cc(OC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cn1 ZINC000192009124 655401891 /nfs/dbraw/zinc/40/18/91/655401891.db2.gz PMULHOPICSVFML-MRVPVSSYSA-N 0 0 382.203 2.800 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F)c1cccs1 ZINC000192700433 655406696 /nfs/dbraw/zinc/40/66/96/655406696.db2.gz XEYCCEMTLWZFBA-VIFPVBQESA-N 0 0 388.417 2.560 10 0 GFAERN C[C@@H](NC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)C(N)=O ZINC000192760595 655406773 /nfs/dbraw/zinc/40/67/73/655406773.db2.gz JYMKCXMVUBIEBQ-SNVBAGLBSA-N 0 0 383.231 2.767 10 0 GFAERN O=C(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCO[C@H]2CCCC[C@H]21 ZINC000193593723 655411187 /nfs/dbraw/zinc/41/11/87/655411187.db2.gz APCKKXBTOQKFIV-OLZOCXBDSA-N 0 0 377.384 2.764 10 0 GFAERN Cc1cc(COC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C)s1 ZINC000195087251 655418864 /nfs/dbraw/zinc/41/88/64/655418864.db2.gz AVQFHNVXDGCYRC-NSHDSACASA-N 0 0 378.475 2.535 10 0 GFAERN CCC[C@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)C(=O)[O-] ZINC000262725262 655446689 /nfs/dbraw/zinc/44/66/89/655446689.db2.gz YTDRDPQKISQMQI-NSHDSACASA-N 0 0 393.221 2.651 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(Cc2cccc(Br)c2OC)CC1 ZINC000263479236 655452191 /nfs/dbraw/zinc/45/21/91/655452191.db2.gz FWFPVRIPKVAFAE-UHFFFAOYSA-N 0 0 385.302 2.829 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000702798834 655521899 /nfs/dbraw/zinc/52/18/99/655521899.db2.gz VTPBIZRWOKUINU-HZMBPMFUSA-N 0 0 389.279 2.951 10 0 GFAERN Cc1nc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1Br ZINC000702858699 655521908 /nfs/dbraw/zinc/52/19/08/655521908.db2.gz NVPCGOTXDJOBCC-YPMHNXCESA-N 0 0 386.290 2.792 10 0 GFAERN CC(=O)[C@H]1CCCN(C(=O)c2cccc(F)c2I)C1 ZINC000707784282 655522207 /nfs/dbraw/zinc/52/22/07/655522207.db2.gz GWUKKWTUHLYBQM-JTQLQIEISA-N 0 0 375.181 2.872 10 0 GFAERN C[C@@H](NC(=O)c1ccc(I)c(Br)c1)[C@H](C)O ZINC000721587989 655524982 /nfs/dbraw/zinc/52/49/82/655524982.db2.gz NRDBMVAURUVCGG-RQJHMYQMSA-N 0 0 398.038 2.553 10 0 GFAERN O=S(=O)(/C=C\c1ccc(Br)cc1)NC[C@@H]1CCc2nccn2C1 ZINC000886041023 663102720 /nfs/dbraw/zinc/10/27/20/663102720.db2.gz BTDJSUZAMPCWLY-YHAOYDPOSA-N 0 0 396.310 2.798 10 0 GFAERN CCn1cc([C@@H]2CN(S(=O)(=O)/C=C\c3ccccc3Cl)CCO2)cn1 ZINC000886074576 663102931 /nfs/dbraw/zinc/10/29/31/663102931.db2.gz RHXMVYVEGFKKQO-JEZWAEDTSA-N 0 0 381.885 2.930 10 0 GFAERN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900929053 663726402 /nfs/dbraw/zinc/72/64/02/663726402.db2.gz CLDSDJBXINBSSM-QZPZVRBBSA-N 0 0 379.547 2.902 10 0 GFAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)Cc1cccc(Br)c1 ZINC000913091512 664322159 /nfs/dbraw/zinc/32/21/59/664322159.db2.gz PLOQRSXRDWCUQG-CRAIPNDOSA-N 0 0 392.297 2.988 10 0 GFAERN CC(C)c1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c(=O)[nH]1 ZINC000220622018 222602071 /nfs/dbraw/zinc/60/20/71/222602071.db2.gz JPHWYDYBYPRFAG-PMTKGXAQSA-N 0 0 382.460 2.675 10 0 GFAERN Cc1ccc([C@]2(O)O[C@](O)(C(C)C)[C@@]3(C(=O)Nc4ccccc4)O[C@]32C)cc1 ZINC000504203633 231297561 /nfs/dbraw/zinc/29/75/61/231297561.db2.gz HYVLCXKDGXVCHF-MBDNFAEBSA-N 0 0 383.444 2.681 10 0 GFAERN CC(C)Cn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c(C(=O)NC(C)C)c1 ZINC000014977529 210137849 /nfs/dbraw/zinc/13/78/49/210137849.db2.gz PZGNZXBNHDLGSG-UHFFFAOYSA-N 0 0 387.455 2.712 10 0 GFAERN COc1cc([C@H]2C3=C(COC3=O)Cc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000013371281 210061588 /nfs/dbraw/zinc/06/15/88/210061588.db2.gz OPGVEBTYBAOEHZ-LJQANCHMSA-N 0 0 396.395 2.983 10 0 biogenic,in-vitro GFAERN CCOCCCNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000006868569 209699111 /nfs/dbraw/zinc/69/91/11/209699111.db2.gz FWZHGDRKBYJDCJ-INIZCTEOSA-N 0 0 388.468 2.504 10 0 GFAERN O=C(Nc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000004907686 209542323 /nfs/dbraw/zinc/54/23/23/209542323.db2.gz LWVIUOVTDNHULR-MRXNPFEDSA-N 0 0 396.472 2.669 10 0 GFAERN C=Cn1cc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000003198094 209415635 /nfs/dbraw/zinc/41/56/35/209415635.db2.gz UKOHSODDCLKAJR-UHFFFAOYSA-N 0 0 378.437 2.609 10 0 GFAERN COC(=O)c1ccc(NC(C)=O)cc1C(=O)c1ccc(N(C)C)cc1OC(C)=O ZINC000002387107 209359601 /nfs/dbraw/zinc/35/96/01/209359601.db2.gz GQQPQGQNOKOAAG-UHFFFAOYSA-N 0 0 398.415 2.654 10 0 in-vitro GFAERN CCN(C(C)=O)c1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000025967411 209241087 /nfs/dbraw/zinc/24/10/87/209241087.db2.gz YNNJXLYOYFRJBE-UHFFFAOYSA-N 0 0 391.475 2.898 10 0 GFAERN O=c1[nH]c(Nc2ccc(Br)c(Br)c2)nc2[nH]cnc21 ZINC000013726285 209234605 /nfs/dbraw/zinc/23/46/05/209234605.db2.gz RXTCNVZMISLRJJ-UHFFFAOYSA-N 0 0 385.019 2.915 10 0 GFAERN Cc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@H](C)O[C@@H](C)C3)n2)cc1C ZINC000028218711 209180847 /nfs/dbraw/zinc/18/08/47/209180847.db2.gz NIVBRLITHDHJOQ-IRXDYDNUSA-N 0 0 398.511 2.682 10 0 GFAERN Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)[C@H](C)C2 ZINC000041085457 212043554 /nfs/dbraw/zinc/04/35/54/212043554.db2.gz KEBROIDDIGRKSR-LLVKDONJSA-N 0 0 380.495 2.581 10 0 GFAERN Cc1ccc(-c2nc(Cc3cc4c(cc3Cl)OCCO4)n(CCO)n2)o1 ZINC000096132291 211304593 /nfs/dbraw/zinc/30/45/93/211304593.db2.gz MHSAUWJWJDKFOZ-UHFFFAOYSA-N 0 0 375.812 2.854 10 0 GFAERN CC(C)(C)OC(=O)NCCc1cc(I)cc(C=O)n1 ZINC000095767818 211281797 /nfs/dbraw/zinc/28/17/97/211281797.db2.gz AJPWMSAKVZJJIY-UHFFFAOYSA-N 0 0 376.194 2.566 10 0 GFAERN Cc1cnc(S(=O)(=O)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1Cl ZINC000095089653 211219771 /nfs/dbraw/zinc/21/97/71/211219771.db2.gz PWGOGJOTOSKHMY-GFCCVEGCSA-N 0 0 389.905 2.859 10 0 GFAERN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cccc2c1OCCO2 ZINC000095075378 211215897 /nfs/dbraw/zinc/21/58/97/211215897.db2.gz JTGWVGKZKHDLJE-AWEZNQCLSA-N 0 0 376.453 2.787 10 0 GFAERN Cc1nccn1[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091325270 211190475 /nfs/dbraw/zinc/19/04/75/211190475.db2.gz DSRHNMJQLGMAQX-KRWDZBQOSA-N 0 0 395.507 2.579 10 0 GFAERN COc1ccccc1N1CCN(CCNc2nc(C)c(C(C)=O)c(C)n2)CC1 ZINC000067924191 211029731 /nfs/dbraw/zinc/02/97/31/211029731.db2.gz SASFUNXGPNBZOR-UHFFFAOYSA-N 0 0 383.496 2.539 10 0 GFAERN CCO[C@H]1CCCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1 ZINC000067520029 211011394 /nfs/dbraw/zinc/01/13/94/211011394.db2.gz LDUIGAZYQMWWHD-PKOBYXMFSA-N 0 0 396.553 2.716 10 0 GFAERN C[C@@](O)(CCCO)CNC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000067473445 211010740 /nfs/dbraw/zinc/01/07/40/211010740.db2.gz SLBMAWYQCSEZCW-GOSISDBHSA-N 0 0 393.896 2.970 10 0 GFAERN COc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)c2ccccc2)C3)cc1 ZINC000065169060 210971433 /nfs/dbraw/zinc/97/14/33/210971433.db2.gz LECIGJJBAUCVDC-UHFFFAOYSA-N 0 0 381.457 2.899 10 0 GFAERN COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000041124442 210799385 /nfs/dbraw/zinc/79/93/85/210799385.db2.gz LEJZIFTYGVHWKS-UHFFFAOYSA-N 0 0 397.460 2.797 10 0 GFAERN CCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC[C@@H](C)O)cc2)n1 ZINC000036145770 210712454 /nfs/dbraw/zinc/71/24/54/210712454.db2.gz JLNZQTTXCMXOFN-CYBMUJFWSA-N 0 0 382.420 2.854 10 0 GFAERN CCC(CC)C(=O)N(CC(=O)NCC(=O)Nc1cccc(C)c1)CC(C)C ZINC000035393373 210684134 /nfs/dbraw/zinc/68/41/34/210684134.db2.gz TVVDRXULFBINSV-UHFFFAOYSA-N 0 0 375.513 2.971 10 0 GFAERN CCn1c2ccccc2nc(N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)c1=O ZINC000022592651 210419046 /nfs/dbraw/zinc/41/90/46/210419046.db2.gz LMRWLQZHZJYNHZ-KRWDZBQOSA-N 0 0 382.508 2.891 10 0 GFAERN COc1ccnc(C[S@@](=O)c2nc3cc(OC(F)F)ccc3n2C)c1OC ZINC000022063551 210405406 /nfs/dbraw/zinc/40/54/06/210405406.db2.gz NQWYXCHABHQOMJ-MHZLTWQESA-N 0 0 397.403 2.895 10 0 in-vitro GFAERN CCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000021661941 210388709 /nfs/dbraw/zinc/38/87/09/210388709.db2.gz VOMVXKYROPZTML-SFHVURJKSA-N 0 0 383.423 2.819 10 0 GFAERN Cc1ncc2c(c1-c1noc(C3CCC3)n1)CCN(c1ncc(F)c(N)n1)C2 ZINC000020855368 210362441 /nfs/dbraw/zinc/36/24/41/210362441.db2.gz MAPUIGZSDKPUDZ-UHFFFAOYSA-N 0 0 381.415 2.782 10 0 GFAERN Cc1csc(NC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)cc2)n1 ZINC000020370354 210328423 /nfs/dbraw/zinc/32/84/23/210328423.db2.gz RKNVFIMXEGRQIZ-AWEZNQCLSA-N 0 0 386.477 2.899 10 0 GFAERN CC(=O)Nc1ccnn1C1CCN(C(=O)CSc2nc(C)cs2)CC1 ZINC000012715031 221221714 /nfs/dbraw/zinc/22/17/14/221221714.db2.gz UIIJMKBXTXEHAG-UHFFFAOYSA-N 0 0 379.511 2.562 10 0 GFAERN Cc1ccc(Nc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c2N)nc1 ZINC000040798837 132407732 /nfs/dbraw/zinc/40/77/32/132407732.db2.gz YJGVUAYTGRVJQH-UHFFFAOYSA-N 0 0 379.443 2.972 10 0 GFAERN CC[C@@H](NC(=O)C1CCN(c2cncnc2NC(C)=O)CC1)c1cccs1 ZINC000096101897 136183777 /nfs/dbraw/zinc/18/37/77/136183777.db2.gz OVJBTKZUCLJCPN-OAHLLOKOSA-N 0 0 387.509 2.980 10 0 GFAERN O=C(NCc1ccnc(N2CCOCC2)n1)C(c1ccccc1)c1ccccc1 ZINC000224217892 136206610 /nfs/dbraw/zinc/20/66/10/136206610.db2.gz XDSXPCHQKZWMBN-UHFFFAOYSA-N 0 0 388.471 2.762 10 0 GFAERN CC(=O)NCCNC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000006801780 526761376 /nfs/dbraw/zinc/76/13/76/526761376.db2.gz IZPSWBZCPKKLLK-UHFFFAOYSA-N 0 0 396.394 2.972 10 0 GFAERN CCOC(=O)C1(C(=O)OCC)Cc2cc(Cl)nc(Br)c2C1 ZINC000504596366 528588076 /nfs/dbraw/zinc/58/80/76/528588076.db2.gz ZLHNLBGJVRGADX-UHFFFAOYSA-N 0 0 376.634 2.709 10 0 GFAERN CCNc1ccnc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 ZINC000072448165 535527499 /nfs/dbraw/zinc/52/74/99/535527499.db2.gz JUBGUWANPNHFPR-OAQYLSRUSA-N 0 0 380.496 2.713 10 0 GFAERN CCn1ncc(NC(=O)c2ccc(C(C)(C)C)cc2)c(N2CCOCC2)c1=O ZINC000065307259 535827424 /nfs/dbraw/zinc/82/74/24/535827424.db2.gz UGPHRHRNUONYBA-UHFFFAOYSA-N 0 0 384.480 2.650 10 0 GFAERN C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1Br ZINC000018175274 551113466 /nfs/dbraw/zinc/11/34/66/551113466.db2.gz QRURNFIKUZTTGZ-SNVBAGLBSA-N 0 0 398.282 2.979 10 0 GFAERN COC(=O)C[C@H](NC(=O)Nc1cc(C)nn1C)c1cccc(Br)c1 ZINC000053754861 551167761 /nfs/dbraw/zinc/16/77/61/551167761.db2.gz IGQIJYIAJXSLCD-ZDUSSCGKSA-N 0 0 395.257 2.917 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000057022174 551179612 /nfs/dbraw/zinc/17/96/12/551179612.db2.gz NSKSYMBSGHIJSA-SNVBAGLBSA-N 0 0 391.873 2.922 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccc(F)c(Cl)c1 ZINC000057022175 551179646 /nfs/dbraw/zinc/17/96/46/551179646.db2.gz QKSUDDXZGDWGEI-VIFPVBQESA-N 0 0 384.816 2.964 10 0 GFAERN NS(=O)(=O)c1cc(F)cc(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000110078201 551201930 /nfs/dbraw/zinc/20/19/30/551201930.db2.gz MDDDZRDGQYWKBU-HNNXBMFYSA-N 0 0 383.832 2.936 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)NCCc3ccc(Br)s3)C2)cn1 ZINC000116415448 551213119 /nfs/dbraw/zinc/21/31/19/551213119.db2.gz GUZPAGRPQLJXHE-LLVKDONJSA-N 0 0 383.315 2.986 10 0 GFAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000118331326 551214597 /nfs/dbraw/zinc/21/45/97/551214597.db2.gz KVYGVKYKMUMRHX-MRXNPFEDSA-N 0 0 381.885 2.844 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119496046 551216627 /nfs/dbraw/zinc/21/66/27/551216627.db2.gz CKCGQFRTXMBRGW-UHFFFAOYSA-N 0 0 391.269 2.825 10 0 GFAERN CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000120009553 551218838 /nfs/dbraw/zinc/21/88/38/551218838.db2.gz CSQCGQQXJCUCFA-MRXNPFEDSA-N 0 0 389.323 2.927 10 0 GFAERN O=C(Nc1ccc(Br)c2ccccc12)C(=O)N1CCC[C@H]1CO ZINC000121034389 551225929 /nfs/dbraw/zinc/22/59/29/551225929.db2.gz YCTWTRAXTHWWKE-NSHDSACASA-N 0 0 377.238 2.524 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)CSc2cccc(Br)c2)n1 ZINC000121055136 551226309 /nfs/dbraw/zinc/22/63/09/551226309.db2.gz GVYARFFKNSPPLN-CYBMUJFWSA-N 0 0 398.282 2.833 10 0 GFAERN CCCn1cc(CN2CCCN(C(=O)CSCC(F)(F)F)CC2)cn1 ZINC000127035029 551336277 /nfs/dbraw/zinc/33/62/77/551336277.db2.gz JMHKHTUYNSJFOH-UHFFFAOYSA-N 0 0 378.464 2.623 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3ccc(Br)c(F)c3)CCO2)c1 ZINC000131549315 551374875 /nfs/dbraw/zinc/37/48/75/551374875.db2.gz VEOCLNFMMDETFE-CQSZACIVSA-N 0 0 396.260 2.563 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c(Br)c1 ZINC000132773571 551378997 /nfs/dbraw/zinc/37/89/97/551378997.db2.gz ASWJMOZFZHUHKT-AWEZNQCLSA-N 0 0 397.294 2.995 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)COc1ccc(Br)cc1)CC2 ZINC000133816124 551384323 /nfs/dbraw/zinc/38/43/23/551384323.db2.gz PXNMDTFDEQMLCD-ZDUSSCGKSA-N 0 0 393.285 2.674 10 0 GFAERN O=C(COc1ccc(Br)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000135814901 551389269 /nfs/dbraw/zinc/38/92/69/551389269.db2.gz KLXLKJHAIJIGOP-INIZCTEOSA-N 0 0 377.238 2.903 10 0 GFAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(F)cc1I ZINC000151021861 551405869 /nfs/dbraw/zinc/40/58/69/551405869.db2.gz GRJGTUVSXWFYBQ-TVQRCGJNSA-N 0 0 377.197 2.711 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cc(Br)ccc1OC ZINC000151123727 551407611 /nfs/dbraw/zinc/40/76/11/551407611.db2.gz PRJXJKXYGNHMBG-CYBMUJFWSA-N 0 0 393.285 2.805 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1CCCO1 ZINC000151239171 551409439 /nfs/dbraw/zinc/40/94/39/551409439.db2.gz XVMFAXKFUITFEZ-UFBFGSQYSA-N 0 0 375.650 2.725 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)Nc3ccccc3Br)CCO2)[nH]1 ZINC000151423420 551413276 /nfs/dbraw/zinc/41/32/76/551413276.db2.gz JFOPBLUGAPAOSG-GFCCVEGCSA-N 0 0 380.246 2.735 10 0 GFAERN COC(=O)c1coc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)c1 ZINC000151738245 551420309 /nfs/dbraw/zinc/42/03/09/551420309.db2.gz BQLXNTPTWGHVTM-SECBINFHSA-N 0 0 388.239 2.868 10 0 GFAERN Cc1nn(C)c(NC(=O)C(=O)N[C@@H]2C[C@H]2C)c1-c1ccc(Br)cc1 ZINC000152231305 551428920 /nfs/dbraw/zinc/42/89/20/551428920.db2.gz ASWNFBCKLJKBHE-NOZJJQNGSA-N 0 0 391.269 2.621 10 0 GFAERN O=C(Cc1c[nH]c2cccc(Br)c12)N1CCC[C@H](n2cncn2)C1 ZINC000152968502 551443650 /nfs/dbraw/zinc/44/36/50/551443650.db2.gz PSWZJKFUGNTDGK-ZDUSSCGKSA-N 0 0 388.269 2.928 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000153926157 551463142 /nfs/dbraw/zinc/46/31/42/551463142.db2.gz WHXRAAYYCCNNQI-SMDDNHRTSA-N 0 0 385.277 2.894 10 0 GFAERN C[C@@H](CC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000154035855 551465864 /nfs/dbraw/zinc/46/58/64/551465864.db2.gz PAZUOZYFYITYAO-YOEHRIQHSA-N 0 0 381.314 2.876 10 0 GFAERN CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@@H](O)C(C)C)ccc1Cl ZINC000154424755 551475276 /nfs/dbraw/zinc/47/52/76/551475276.db2.gz QGMVXHAWVYVBPW-CQSZACIVSA-N 0 0 376.906 2.716 10 0 GFAERN O=C(c1c[nH]c2cccc(Br)c21)N1CCO[C@@H](Cn2cccn2)C1 ZINC000155177979 551493483 /nfs/dbraw/zinc/49/34/83/551493483.db2.gz ZUUWODIWJWVQQW-GFCCVEGCSA-N 0 0 389.253 2.668 10 0 GFAERN CCn1c(SCC(=O)NC[C@@H]2CCCC[C@@H]2O)nnc1-c1cccs1 ZINC000155682875 551505868 /nfs/dbraw/zinc/50/58/68/551505868.db2.gz LKGOIJNSTIPHTH-STQMWFEESA-N 0 0 380.539 2.786 10 0 GFAERN COC(=O)[C@@H](NS(=O)(=O)c1cccc(C)c1Br)c1ccccc1 ZINC000155780416 551507480 /nfs/dbraw/zinc/50/74/80/551507480.db2.gz VCBVCADZDOGWNR-HNNXBMFYSA-N 0 0 398.278 2.950 10 0 GFAERN CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000156616491 551526175 /nfs/dbraw/zinc/52/61/75/551526175.db2.gz LGEQWYASZPBMFT-JOYOIKCWSA-N 0 0 379.309 2.541 10 0 GFAERN Cc1csc([C@@H]2CN(CCC(=O)N3CCc4sccc4C3)CCO2)n1 ZINC000157774211 551542910 /nfs/dbraw/zinc/54/29/10/551542910.db2.gz SFHFKEMUEHLWGW-HNNXBMFYSA-N 0 0 377.535 2.861 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(Br)c(Cl)c3)CCO2)[nH]1 ZINC000157833091 551543478 /nfs/dbraw/zinc/54/34/78/551543478.db2.gz RFTJBKBQNDCONO-LBPRGKRZSA-N 0 0 399.676 2.997 10 0 GFAERN C[C@@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000157999020 551545752 /nfs/dbraw/zinc/54/57/52/551545752.db2.gz KHWIZROLNBJKAC-ABAIWWIYSA-N 0 0 387.705 2.895 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000158576050 551553812 /nfs/dbraw/zinc/55/38/12/551553812.db2.gz XDRIMQDFUMGVRG-ZANVPECISA-N 0 0 378.778 2.965 10 0 GFAERN Cn1nccc1C1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000159297004 551563097 /nfs/dbraw/zinc/56/30/97/551563097.db2.gz SXDQSBDASDMIMY-UHFFFAOYSA-N 0 0 384.299 2.751 10 0 GFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000161687245 551597057 /nfs/dbraw/zinc/59/70/57/551597057.db2.gz USAKQOSBSMKIHF-SSDOTTSWSA-N 0 0 393.079 2.706 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000171071712 551645697 /nfs/dbraw/zinc/64/56/97/551645697.db2.gz UIWIBRBPGMPOFL-UFBFGSQYSA-N 0 0 384.807 2.552 10 0 GFAERN C[C@@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000171232694 551650879 /nfs/dbraw/zinc/65/08/79/551650879.db2.gz MRHYDJTXMKZAQT-SNVBAGLBSA-N 0 0 385.848 2.687 10 0 GFAERN C[C@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CCS1 ZINC000171569242 551658496 /nfs/dbraw/zinc/65/84/96/551658496.db2.gz ZOEDFVYIILPRSC-SMDDNHRTSA-N 0 0 383.311 2.766 10 0 GFAERN O=C(N1CCC[C@H](n2cncn2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000171662436 551660387 /nfs/dbraw/zinc/66/03/87/551660387.db2.gz MRISXKCIMFBCOO-HNNXBMFYSA-N 0 0 375.270 2.936 10 0 GFAERN CC(C)n1ccnc1CS(=O)(=O)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000171674936 551660842 /nfs/dbraw/zinc/66/08/42/551660842.db2.gz LOSRTWQLXUYIBD-ZDUSSCGKSA-N 0 0 383.901 2.737 10 0 GFAERN COc1ccc(CN2CCC[C@@H](n3cncn3)C2)c(Br)c1OC ZINC000171706013 551661314 /nfs/dbraw/zinc/66/13/14/551661314.db2.gz DAQPPEWXKNFAOU-CYBMUJFWSA-N 0 0 381.274 2.895 10 0 GFAERN CCn1cc(Br)cc1C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000171858469 551665042 /nfs/dbraw/zinc/66/50/42/551665042.db2.gz MZUNCFRYCWGVHS-OAHLLOKOSA-N 0 0 395.301 2.625 10 0 GFAERN COC(=O)C1(NC[C@H](O)COc2cccc(Br)c2)CCCCC1 ZINC000171943513 551666616 /nfs/dbraw/zinc/66/66/16/551666616.db2.gz HIUXPIAINBVOAR-AWEZNQCLSA-N 0 0 386.286 2.654 10 0 GFAERN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172744077 551686371 /nfs/dbraw/zinc/68/63/71/551686371.db2.gz KAROJQBJIXFQLS-GFCCVEGCSA-N 0 0 396.260 2.616 10 0 GFAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173019348 551692598 /nfs/dbraw/zinc/69/25/98/551692598.db2.gz AVGKUTYXCCUMAX-XPTSAGLGSA-N 0 0 384.267 2.820 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)c(Br)c1 ZINC000173836146 552093670 /nfs/dbraw/zinc/09/36/70/552093670.db2.gz UIUHCSCCEOGKCN-CYBMUJFWSA-N 0 0 384.299 2.807 10 0 GFAERN CCN(CC)C(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000174679354 552108733 /nfs/dbraw/zinc/10/87/33/552108733.db2.gz QKMLKQNHTXMKAS-UHFFFAOYSA-N 0 0 393.285 2.695 10 0 GFAERN O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174893035 552112096 /nfs/dbraw/zinc/11/20/96/552112096.db2.gz HWOUTAAOHFXFJA-ZBFHGGJFSA-N 0 0 391.265 2.866 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)NCCSc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000175322908 552119262 /nfs/dbraw/zinc/11/92/62/552119262.db2.gz MMUYZTWWAVRAPX-CQSZACIVSA-N 0 0 381.889 2.642 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000175872218 552130782 /nfs/dbraw/zinc/13/07/82/552130782.db2.gz BSJCRIZNLPOXRH-OLZOCXBDSA-N 0 0 384.267 2.761 10 0 GFAERN O=C(c1occc1Br)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000176100406 552135548 /nfs/dbraw/zinc/13/55/48/552135548.db2.gz STCODTVCGJIHHS-UHFFFAOYSA-N 0 0 395.257 2.651 10 0 GFAERN Cc1cc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)sc1Br ZINC000177002480 552149473 /nfs/dbraw/zinc/14/94/73/552149473.db2.gz CNDNRCWCOZKHHJ-SECBINFHSA-N 0 0 391.316 2.532 10 0 GFAERN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177363308 552154011 /nfs/dbraw/zinc/15/40/11/552154011.db2.gz GXNKRYLYMNQXOL-SMDDNHRTSA-N 0 0 378.274 2.806 10 0 GFAERN C[C@H]1CC[C@@H](NC(=O)NCc2ccc(S(N)(=O)=O)s2)c2ccccc21 ZINC000179020722 552182379 /nfs/dbraw/zinc/18/23/79/552182379.db2.gz IIPGFTWXCJOIGE-XHDPSFHLSA-N 0 0 379.507 2.833 10 0 GFAERN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CO)cc1I ZINC000179244986 552187933 /nfs/dbraw/zinc/18/79/33/552187933.db2.gz MOEUTHAOLXKDPI-WCQYABFASA-N 0 0 389.233 2.581 10 0 GFAERN C[C@@H](NCc1nc(CS(C)(=O)=O)no1)c1c(Cl)ccc(F)c1Cl ZINC000179542150 552196174 /nfs/dbraw/zinc/19/61/74/552196174.db2.gz CWOJIQPGAKCDGP-SSDOTTSWSA-N 0 0 382.244 2.911 10 0 GFAERN CCn1c(C)nnc1CN(C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000179682202 552200534 /nfs/dbraw/zinc/20/05/34/552200534.db2.gz KVFTVRPIODJLPE-OAHLLOKOSA-N 0 0 381.274 2.715 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000180091940 552212678 /nfs/dbraw/zinc/21/26/78/552212678.db2.gz OOPZSFWYJGWGCL-LLVKDONJSA-N 0 0 384.889 2.510 10 0 GFAERN C[C@H](CNC(=O)c1ccc(Br)cc1C(F)(F)F)N1CCOCC1 ZINC000180385334 552225084 /nfs/dbraw/zinc/22/50/84/552225084.db2.gz GYJFIMPMOJPHLH-SNVBAGLBSA-N 0 0 395.219 2.918 10 0 GFAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000180542581 552229604 /nfs/dbraw/zinc/22/96/04/552229604.db2.gz DOHYPAFLPIHIGM-INIZCTEOSA-N 0 0 376.865 2.818 10 0 GFAERN CCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1cccc(Cl)c1Cl)CC2 ZINC000180625177 552231805 /nfs/dbraw/zinc/23/18/05/552231805.db2.gz GDNUIVKPJUATFB-HWPZZCPQSA-N 0 0 383.279 2.966 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)c1ccc(F)c(Cl)c1 ZINC000181099619 552246495 /nfs/dbraw/zinc/24/64/95/552246495.db2.gz KOCRBZZDPIUFPP-SNVBAGLBSA-N 0 0 387.864 2.559 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3ccc(Br)nc3C)CCO2)c1 ZINC000181331112 552253591 /nfs/dbraw/zinc/25/35/91/552253591.db2.gz OQJBERBVEWCTOL-CYBMUJFWSA-N 0 0 394.273 2.590 10 0 GFAERN COC(=O)[C@H]1C[C@@H]1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181495643 552258310 /nfs/dbraw/zinc/25/83/10/552258310.db2.gz IVDHMSDJBKXRLL-HOTGVXAUSA-N 0 0 385.291 2.883 10 0 GFAERN COC(=O)C1CCN(C(=O)[C@@H](C)N[C@H](C)c2ccccc2Br)CC1 ZINC000181566919 552261232 /nfs/dbraw/zinc/26/12/32/552261232.db2.gz SQRATSFXSZPQRK-CHWSQXEVSA-N 0 0 397.313 2.900 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1c(Br)cc(F)cc1Br ZINC000183036804 552298975 /nfs/dbraw/zinc/29/89/75/552298975.db2.gz VGGHXRQZKHPFOF-ANLVUFKYSA-N 0 0 394.038 2.814 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)NC[C@H](C)c3nccs3)CC2)cs1 ZINC000184230946 552330373 /nfs/dbraw/zinc/33/03/73/552330373.db2.gz ILAUDMPIJJUPQT-ZDUSSCGKSA-N 0 0 379.555 2.929 10 0 GFAERN CCCCN1CCOC[C@H]1C(=O)NCCc1ccc(Br)s1 ZINC000184322522 552332710 /nfs/dbraw/zinc/33/27/10/552332710.db2.gz VAQOIJUPXBJNBW-ZDUSSCGKSA-N 0 0 375.332 2.670 10 0 GFAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2F)cn1 ZINC000184407108 552335357 /nfs/dbraw/zinc/33/53/57/552335357.db2.gz HZFPISOTMRARTQ-CYBMUJFWSA-N 0 0 388.262 2.848 10 0 GFAERN C[C@H]1COC[C@H](C)N1C(=O)c1ncc(Br)cc1Br ZINC000184966234 552349490 /nfs/dbraw/zinc/34/94/90/552349490.db2.gz SZOZLNKYLMFXAN-YUMQZZPRSA-N 0 0 378.064 2.856 10 0 GFAERN COc1ccc(CN2CCOC[C@H]2c2nc(C)no2)c(Br)c1OC ZINC000185080786 552353546 /nfs/dbraw/zinc/35/35/46/552353546.db2.gz WODMJAFNLPRSRU-LBPRGKRZSA-N 0 0 398.257 2.731 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)C12CCOCC2 ZINC000185157184 552355743 /nfs/dbraw/zinc/35/57/43/552355743.db2.gz GMAMRXKMGYEVOP-CVEARBPZSA-N 0 0 391.892 2.873 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1ccc(C)cc1Br)CC2 ZINC000185422465 552363334 /nfs/dbraw/zinc/36/33/34/552363334.db2.gz HZTGWVDTALEPMB-CQSZACIVSA-N 0 0 391.313 2.975 10 0 GFAERN O=C([C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl)N1CCN(CCO)CC1 ZINC000185560525 552365780 /nfs/dbraw/zinc/36/57/80/552365780.db2.gz TZHAVUNAFWAZIC-RDJZCZTQSA-N 0 0 387.307 2.598 10 0 GFAERN CCOCCN1CCN(Cc2cccc(Cl)c2S(=O)(=O)CC)C[C@@H]1C ZINC000186941048 552402583 /nfs/dbraw/zinc/40/25/83/552402583.db2.gz NVYYWOTVLFEQNB-HNNXBMFYSA-N 0 0 388.961 2.676 10 0 GFAERN C[C@H](NC(=O)[C@H]1COCCN1CC(F)F)c1cccc(Br)c1 ZINC000187195674 552408882 /nfs/dbraw/zinc/40/88/82/552408882.db2.gz RXJKRNCLDZLPRH-GXFFZTMASA-N 0 0 377.229 2.592 10 0 GFAERN Cc1nc(C[C@H]2CCCN(C(=O)c3nc(Br)ccc3C)C2)no1 ZINC000187900026 552427625 /nfs/dbraw/zinc/42/76/25/552427625.db2.gz RUETWCOHFMIFHU-GFCCVEGCSA-N 0 0 379.258 2.939 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)Cc3cccc(Br)c3C)CCO2)[nH]1 ZINC000188399913 552444383 /nfs/dbraw/zinc/44/43/83/552444383.db2.gz HRFDJTXWZKOXKH-CQSZACIVSA-N 0 0 393.285 2.581 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1cccc(Br)n1)CC2 ZINC000188507298 552446519 /nfs/dbraw/zinc/44/65/19/552446519.db2.gz UKTHSQAORYMGNF-JTQLQIEISA-N 0 0 379.262 2.696 10 0 GFAERN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000189455027 552472025 /nfs/dbraw/zinc/47/20/25/552472025.db2.gz NFWSWCPDWYYJAH-CMPLNLGQSA-N 0 0 376.425 2.868 10 0 GFAERN Cc1ccc([C@H](CNC(=O)N2CCSCC[C@H]2C)N2CCOCC2)s1 ZINC000189444293 552472182 /nfs/dbraw/zinc/47/21/82/552472182.db2.gz HUYZMCXBUKRCBM-ZBFHGGJFSA-N 0 0 383.583 2.967 10 0 GFAERN COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000189881746 552481743 /nfs/dbraw/zinc/48/17/43/552481743.db2.gz ONSQUBJUIDWXFA-MFKMUULPSA-N 0 0 394.273 2.945 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Nc3cnc(Br)c(C)c3)CCO2)cn1 ZINC000190215898 552490108 /nfs/dbraw/zinc/49/01/08/552490108.db2.gz TVPQRLLHQBRATB-AWEZNQCLSA-N 0 0 394.273 2.974 10 0 GFAERN CCN1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)C1 ZINC000190553543 552500979 /nfs/dbraw/zinc/50/09/79/552500979.db2.gz QJQQKHJYKFCCBU-ZFWWWQNUSA-N 0 0 390.933 2.516 10 0 GFAERN CNS(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)nc1 ZINC000190628408 552503715 /nfs/dbraw/zinc/50/37/15/552503715.db2.gz XAJNTJNVIPKYPA-SECBINFHSA-N 0 0 386.836 2.665 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000190638438 552504526 /nfs/dbraw/zinc/50/45/26/552504526.db2.gz JWPXJCGHKFHFFT-JTQLQIEISA-N 0 0 376.201 2.860 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1Br ZINC000190751644 552508029 /nfs/dbraw/zinc/50/80/29/552508029.db2.gz XCRVXXJHXWRGNJ-CQSZACIVSA-N 0 0 391.269 2.584 10 0 GFAERN CCn1cc([C@@H]2CN(C[C@H](O)c3ccccc3Br)CCO2)cn1 ZINC000190808083 552509752 /nfs/dbraw/zinc/50/97/52/552509752.db2.gz XLRXVWITEKJDFP-IRXDYDNUSA-N 0 0 380.286 2.772 10 0 GFAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000190906253 552512706 /nfs/dbraw/zinc/51/27/06/552512706.db2.gz RUURELFYHNQDSX-WFASDCNBSA-N 0 0 383.286 2.500 10 0 GFAERN C[C@H]1OCCC[C@H]1C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000191856422 552540148 /nfs/dbraw/zinc/54/01/48/552540148.db2.gz IQDAOHUGKHOJMS-BXUZGUMPSA-N 0 0 380.491 2.967 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)[C@@H]1CCCO1 ZINC000191928659 552543446 /nfs/dbraw/zinc/54/34/46/552543446.db2.gz YVIVLYRUYSDUOF-KCJUWKMLSA-N 0 0 375.650 2.725 10 0 GFAERN O=C(Cc1ccc(I)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000192061594 552548226 /nfs/dbraw/zinc/54/82/26/552548226.db2.gz OVOVEFWSAQSBEL-WMLDXEAASA-N 0 0 399.272 2.987 10 0 GFAERN COCCN1CCN(C(=O)c2cc(Br)c(F)cc2F)C[C@@H]1C ZINC000192122914 552551756 /nfs/dbraw/zinc/55/17/56/552551756.db2.gz SYOYOHSXKAWYIO-JTQLQIEISA-N 0 0 377.229 2.520 10 0 GFAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc2sc3ccccc3c2s1 ZINC000192709981 552971769 /nfs/dbraw/zinc/97/17/69/552971769.db2.gz TXFMVOYJVRFOQP-GFCCVEGCSA-N 0 0 376.503 2.539 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000192924895 552978718 /nfs/dbraw/zinc/97/87/18/552978718.db2.gz QTTGLQKYVZNMNV-SNVBAGLBSA-N 0 0 377.363 2.601 10 0 GFAERN CCCCOC[C@H](O)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000193377055 552991613 /nfs/dbraw/zinc/99/16/13/552991613.db2.gz DVLUHQXBVZGTDZ-CRAIPNDOSA-N 0 0 398.297 2.643 10 0 GFAERN C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1c(Cl)ccc(F)c1Cl ZINC000193436417 552992876 /nfs/dbraw/zinc/99/28/76/552992876.db2.gz UCGWADJQBMJGKQ-KWQFWETISA-N 0 0 383.272 2.734 10 0 GFAERN C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1c(Cl)ccc(F)c1Cl ZINC000193436460 552993077 /nfs/dbraw/zinc/99/30/77/552993077.db2.gz UCGWADJQBMJGKQ-LDYMZIIASA-N 0 0 383.272 2.734 10 0 GFAERN O=C(c1cc(I)ccc1O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000193593996 552997424 /nfs/dbraw/zinc/99/74/24/552997424.db2.gz BJNQRBKFUVYJRW-JSGCOSHPSA-N 0 0 387.217 2.780 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)CCO2)n1 ZINC000193944390 553007726 /nfs/dbraw/zinc/00/77/26/553007726.db2.gz RRLKQJNNEBJNFA-JTQLQIEISA-N 0 0 396.387 2.770 10 0 GFAERN CC(C)(C)c1csc([C@@H]2CN(S(=O)(=O)CC[C@@H]3CCCO3)CCO2)n1 ZINC000193955124 553008239 /nfs/dbraw/zinc/00/82/39/553008239.db2.gz HAFIISMCNOSCJB-KBPBESRZSA-N 0 0 388.555 2.713 10 0 GFAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000194077926 553011168 /nfs/dbraw/zinc/01/11/68/553011168.db2.gz KCBKGNOIBSHEPC-LLVKDONJSA-N 0 0 395.282 2.993 10 0 GFAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1nc2ncc(Br)cn2n1 ZINC000194300125 553016975 /nfs/dbraw/zinc/01/69/75/553016975.db2.gz QMMTVHWLDQDTGU-GFCCVEGCSA-N 0 0 392.644 2.958 10 0 GFAERN CCc1noc([C@H](C)N2CCN(c3ncc(C)cc3Br)CC2)n1 ZINC000194317385 553017740 /nfs/dbraw/zinc/01/77/40/553017740.db2.gz JDHBMBXSMAYAQO-LBPRGKRZSA-N 0 0 380.290 2.981 10 0 GFAERN CC(C)c1nnc(CN(c2nccs2)S(=O)(=O)c2ccccc2)n1C ZINC000194681345 553027060 /nfs/dbraw/zinc/02/70/60/553027060.db2.gz FGLNATJFCINOQU-UHFFFAOYSA-N 0 0 377.495 2.791 10 0 GFAERN CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)n1 ZINC000194796176 553030633 /nfs/dbraw/zinc/03/06/33/553030633.db2.gz AAUMBEHDZHIGFB-ZDUSSCGKSA-N 0 0 379.869 2.902 10 0 GFAERN O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195320098 553044922 /nfs/dbraw/zinc/04/49/22/553044922.db2.gz ZCIRPLXPZDPVOY-LBPRGKRZSA-N 0 0 377.897 2.591 10 0 GFAERN CCc1csc([C@H]2CCCN(Cc3nn4c(nc(C)cc4=O)s3)C2)n1 ZINC000195379629 553046645 /nfs/dbraw/zinc/04/66/45/553046645.db2.gz VXDUVCBVILFMAA-LBPRGKRZSA-N 0 0 375.523 2.858 10 0 GFAERN O=C(c1cc(Br)c2c(c1)OCCO2)N1CCN2CCCC[C@@H]2C1 ZINC000195368794 553046682 /nfs/dbraw/zinc/04/66/82/553046682.db2.gz KFNYYNKCDMUOQS-CYBMUJFWSA-N 0 0 381.270 2.531 10 0 GFAERN O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](CCO)C1 ZINC000230186449 553065264 /nfs/dbraw/zinc/06/52/64/553065264.db2.gz SBVARKRHUJHUBB-VIFPVBQESA-N 0 0 379.625 2.789 10 0 GFAERN O=C(c1cccc(I)c1)N1CC[C@H](Oc2ccccn2)C1 ZINC000238903215 553087298 /nfs/dbraw/zinc/08/72/98/553087298.db2.gz RQXBQMUMPWHVHY-AWEZNQCLSA-N 0 0 394.212 2.980 10 0 GFAERN COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000245405318 553089809 /nfs/dbraw/zinc/08/98/09/553089809.db2.gz SJAFGUIALJJOBE-GXTWGEPZSA-N 0 0 383.286 2.511 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000245662742 553094730 /nfs/dbraw/zinc/09/47/30/553094730.db2.gz AAHPANIXYABUGN-HOCLYGCPSA-N 0 0 381.263 2.602 10 0 GFAERN CCNc1ncc(C(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)s1 ZINC000245914660 553098937 /nfs/dbraw/zinc/09/89/37/553098937.db2.gz DZGRIIZIYHESPA-STQMWFEESA-N 0 0 380.539 2.828 10 0 GFAERN C[C@@H](C[C@H](O)c1cccs1)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000246698321 553111873 /nfs/dbraw/zinc/11/18/73/553111873.db2.gz MSOYLGPMIANUHT-NUXNZHGMSA-N 0 0 385.551 2.875 10 0 GFAERN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000248383031 553128938 /nfs/dbraw/zinc/12/89/38/553128938.db2.gz YYXPNTABYSKTMF-VBNZEHGJSA-N 0 0 384.929 2.875 10 0 GFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000249773335 553146147 /nfs/dbraw/zinc/14/61/47/553146147.db2.gz UWIYCCVHMKWLRD-FZQKWOKYSA-N 0 0 377.384 2.599 10 0 GFAERN Cc1csc([C@H]2CN(CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CCO2)n1 ZINC000249867685 553146563 /nfs/dbraw/zinc/14/65/63/553146563.db2.gz ILINMZQQCRVUBY-CHWSQXEVSA-N 0 0 377.432 2.626 10 0 GFAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000252695932 553150463 /nfs/dbraw/zinc/15/04/63/553150463.db2.gz AYQCDLMUXPRSGT-MBNYWOFBSA-N 0 0 380.432 2.623 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000262878227 553177692 /nfs/dbraw/zinc/17/76/92/553177692.db2.gz DZAOWLRDINYZJV-UHFFFAOYSA-N 0 0 383.286 2.769 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000262873011 553178046 /nfs/dbraw/zinc/17/80/46/553178046.db2.gz DCMZSXAVRKJQTA-GFCCVEGCSA-N 0 0 379.507 2.883 10 0 GFAERN COc1ccc(CN2C[C@H]3CN(Cc4ccc(OC)cc4)CCN3C2=O)cc1 ZINC000096269120 560054076 /nfs/dbraw/zinc/05/40/76/560054076.db2.gz NCJAKAAHRXLONJ-LJQANCHMSA-N 0 0 381.476 2.826 10 0 GFAERN C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000373057482 563327366 /nfs/dbraw/zinc/32/73/66/563327366.db2.gz KNYKFOAWCSKVNK-NWDGAFQWSA-N 0 0 380.436 2.727 10 0 GFAERN OC[C@@H]1CCCN1c1cc(N2CCc3c(Br)cccc3C2)ncn1 ZINC000301247232 563397749 /nfs/dbraw/zinc/39/77/49/563397749.db2.gz OPLJNTYXNIOPAY-AWEZNQCLSA-N 0 0 389.297 2.763 10 0 GFAERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc(C(=O)Nc3nncs3)cn2)C1 ZINC000301520310 563406081 /nfs/dbraw/zinc/40/60/81/563406081.db2.gz DBBKTRJJWAXBNA-IZEVZFMRSA-N 0 0 379.511 2.677 10 0 GFAERN Cn1ncc(N2CC[C@@H](Oc3cccc(Cl)c3)C2)c(Br)c1=O ZINC000301849848 563414005 /nfs/dbraw/zinc/41/40/05/563414005.db2.gz WFDLCFMJPMSTHP-GFCCVEGCSA-N 0 0 384.661 2.854 10 0 GFAERN CNc1nc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)ncc1Br ZINC000302761220 563429887 /nfs/dbraw/zinc/42/98/87/563429887.db2.gz YFLVVOLGUFWMGC-CYBMUJFWSA-N 0 0 394.248 2.633 10 0 GFAERN O=C(c1ccc(F)cc1I)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398690580 563532893 /nfs/dbraw/zinc/53/28/93/563532893.db2.gz NRJIXGVYRVQWLX-NHCYSSNCSA-N 0 0 389.208 2.663 10 0 GFAERN C[C@@H]1C[C@H](O)CCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000601732562 565800874 /nfs/dbraw/zinc/80/08/74/565800874.db2.gz YNUVBDVGTFVZOU-PSASIEDQSA-N 0 0 379.625 2.930 10 0 GFAERN C[C@]12CC[C@@H]3[C@@]4(C)CC[C@H](O)C[C@H]4CC[C@@]3(O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000096023905 570284276 /nfs/dbraw/zinc/28/42/76/570284276.db2.gz DLJAGQZQTFSTKM-BGKNSHFJSA-N 0 0 390.520 2.719 10 0 GFAERN Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c(=O)[nH]1 ZINC000023478440 570324782 /nfs/dbraw/zinc/32/47/82/570324782.db2.gz ZSEGJFFWHISLFV-CQSZACIVSA-N 0 0 394.397 2.804 10 0 GFAERN O=C(Cc1cccc(Cl)c1)N1CCc2[nH]nc(C(=O)N3CCCCC3)c2C1 ZINC000034809874 570334164 /nfs/dbraw/zinc/33/41/64/570334164.db2.gz QYBHUGGWCGJATI-UHFFFAOYSA-N 0 0 386.883 2.817 10 0 GFAERN O=S(=O)(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1ccc(F)cc1 ZINC000252519074 570729265 /nfs/dbraw/zinc/72/92/65/570729265.db2.gz AWGVPEQBQRKJIJ-SIXWZSSISA-N 0 0 377.437 2.551 10 0 GFAERN O=C(NC1CCCC1)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928523 570755245 /nfs/dbraw/zinc/75/52/45/570755245.db2.gz VVYZHDOAHFDHTK-HNNXBMFYSA-N 0 0 384.455 2.647 10 0 GFAERN CCC(CC)c1nnc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)s1 ZINC000102303412 570844456 /nfs/dbraw/zinc/84/44/56/570844456.db2.gz QLOJNKUNCRQZBF-WCFLWFBJSA-N 0 0 376.482 2.720 10 0 GFAERN COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2=O)cc1 ZINC000037520945 571022540 /nfs/dbraw/zinc/02/25/40/571022540.db2.gz KRARMEUCSYMQSN-CYBMUJFWSA-N 0 0 394.880 2.775 10 0 GFAERN C[C@H](C(=O)NCc1ccc(Br)s1)N1C(=O)c2ccccc2C1=O ZINC000026042394 654555274 /nfs/dbraw/zinc/55/52/74/654555274.db2.gz XECKMVQEAZLINZ-SECBINFHSA-N 0 0 393.262 2.812 10 0 GFAERN O=S(=O)(c1cc(Br)cnc1Cl)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041066423 654622414 /nfs/dbraw/zinc/62/24/14/654622414.db2.gz TZZJXRGFGRSIFT-WDEREUQCSA-N 0 0 395.706 2.830 10 0 GFAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000043827221 654651690 /nfs/dbraw/zinc/65/16/90/654651690.db2.gz YKCOMUAJHMHIMW-BDAKNGLRSA-N 0 0 384.807 2.838 10 0 GFAERN CNS(=O)(=O)c1cc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)c(C)o1 ZINC000122122705 654729131 /nfs/dbraw/zinc/72/91/31/654729131.db2.gz LPVWKBYWEXVGQW-SNVBAGLBSA-N 0 0 398.384 2.721 10 0 GFAERN Cc1nc(CC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)c(C)s1 ZINC000123691067 654760802 /nfs/dbraw/zinc/76/08/02/654760802.db2.gz OTBYOMQZGHYUJF-INIZCTEOSA-N 0 0 379.551 2.896 10 0 GFAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)no1 ZINC000123951843 654766856 /nfs/dbraw/zinc/76/68/56/654766856.db2.gz JTIFXVDYNISYQY-GFCCVEGCSA-N 0 0 387.864 2.955 10 0 GFAERN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1COc2ccccc21 ZINC000058574825 654820162 /nfs/dbraw/zinc/82/01/62/654820162.db2.gz AHWACQLKBZHIQO-OAHLLOKOSA-N 0 0 380.853 2.547 10 0 GFAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000128453678 654847231 /nfs/dbraw/zinc/84/72/31/654847231.db2.gz MZJDWPXJUVYIFK-LBPRGKRZSA-N 0 0 384.864 2.559 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3cc(C)ccc3Br)CCO2)[nH]1 ZINC000129068779 654855861 /nfs/dbraw/zinc/85/58/61/654855861.db2.gz MVPCFVMMIXFZNW-CYBMUJFWSA-N 0 0 380.246 2.789 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1ccc(Cl)cc1 ZINC000065263734 654879481 /nfs/dbraw/zinc/87/94/81/654879481.db2.gz OIQKVPRMJQUPJB-LLVKDONJSA-N 0 0 379.869 2.570 10 0 GFAERN C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CCO[C@H]3CCCC[C@@H]32)C1=O ZINC000066792790 654915816 /nfs/dbraw/zinc/91/58/16/654915816.db2.gz HRARDUSBDJWSMR-NVGCLXPQSA-N 0 0 383.901 2.769 10 0 GFAERN C[C@H](OC(=O)CN(C)S(=O)(=O)c1cccnc1)c1ccc(F)c(Cl)c1 ZINC000066885370 654919773 /nfs/dbraw/zinc/91/97/73/654919773.db2.gz WBAXGYAQLJUKFT-NSHDSACASA-N 0 0 386.832 2.799 10 0 GFAERN COc1cc(Br)ccc1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133865536 654975505 /nfs/dbraw/zinc/97/55/05/654975505.db2.gz VRTXYMWHIZSTRR-GFCCVEGCSA-N 0 0 393.285 2.917 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(Br)cc1F ZINC000070708886 654993848 /nfs/dbraw/zinc/99/38/48/654993848.db2.gz YOBYESSMBFLXFZ-GFCCVEGCSA-N 0 0 394.262 2.698 10 0 GFAERN COc1ccc(Br)c(C(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000135377298 655014704 /nfs/dbraw/zinc/01/47/04/655014704.db2.gz ZSPQIHBFUDKBAN-SNVBAGLBSA-N 0 0 379.258 2.877 10 0 GFAERN Cc1cc(N2CCC[C@@H](NC(=O)C[C@H](O)C(C)C)C2=O)ccc1Br ZINC000135961471 655025587 /nfs/dbraw/zinc/02/55/87/655025587.db2.gz GVLCGJUVGQTKEP-CVEARBPZSA-N 0 0 397.313 2.776 10 0 GFAERN C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1sccc1Br ZINC000096658562 655031958 /nfs/dbraw/zinc/03/19/58/655031958.db2.gz WZAOPTNSWYYOMY-WDEREUQCSA-N 0 0 379.345 2.758 10 0 GFAERN O=C(Cc1cc(Br)ccc1F)N1CCCN(c2cccnn2)CC1 ZINC000137617719 655041155 /nfs/dbraw/zinc/04/11/55/655041155.db2.gz IKLPTCMAVRADFO-UHFFFAOYSA-N 0 0 393.260 2.660 10 0 GFAERN Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000152008340 655055907 /nfs/dbraw/zinc/05/59/07/655055907.db2.gz JDYOTRRKRXQYFS-DZGCQCFKSA-N 0 0 378.270 2.977 10 0 GFAERN CC(=O)N[C@H]1CCCN(Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000153373115 655066649 /nfs/dbraw/zinc/06/66/49/655066649.db2.gz AVXUUFIFCKCJOF-HNNXBMFYSA-N 0 0 379.917 2.829 10 0 GFAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000106071120 655101785 /nfs/dbraw/zinc/10/17/85/655101785.db2.gz KYINWPIXWCLAOS-UHFFFAOYSA-N 0 0 380.279 2.934 10 0 GFAERN CN(c1cccnn1)C1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000106084808 655101938 /nfs/dbraw/zinc/10/19/38/655101938.db2.gz JBYHQJAHFROBSW-KRWDZBQOSA-N 0 0 391.313 2.873 10 0 GFAERN CC(=O)Nc1nc(CN(C)C[C@H](c2cccs2)N2CCOCC2)cs1 ZINC000106162374 655104076 /nfs/dbraw/zinc/10/40/76/655104076.db2.gz JNYMFBADXZIFPJ-OAHLLOKOSA-N 0 0 380.539 2.668 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3ccc(Br)cc3F)CC2)cn1 ZINC000109656081 655149753 /nfs/dbraw/zinc/14/97/53/655149753.db2.gz PRGDJBSHAVBAJT-UHFFFAOYSA-N 0 0 395.276 2.670 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)CSC[C@@H]3CCCCO3)CC2)cs1 ZINC000109649510 655149922 /nfs/dbraw/zinc/14/99/22/655149922.db2.gz XGQGDWGCSXCRIV-KRWDZBQOSA-N 0 0 383.583 2.788 10 0 GFAERN C[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CCS1 ZINC000171580639 655152617 /nfs/dbraw/zinc/15/26/17/655152617.db2.gz SUZSQGVFJKDCSQ-ZDUSSCGKSA-N 0 0 386.514 2.578 10 0 GFAERN COC[C@@H](C)C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000110751071 655159689 /nfs/dbraw/zinc/15/96/89/655159689.db2.gz XPQIWLZZJRASCF-SECBINFHSA-N 0 0 385.205 2.902 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(Br)cs3)CCO2)n1 ZINC000110898673 655161466 /nfs/dbraw/zinc/16/14/66/655161466.db2.gz ZKAKQDPEDGAZRG-CYBMUJFWSA-N 0 0 384.299 2.865 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3ccc(Br)c(F)c3)CC2)no1 ZINC000110947014 655162427 /nfs/dbraw/zinc/16/24/27/655162427.db2.gz LFKGSPAUWXVOTJ-UHFFFAOYSA-N 0 0 397.248 2.628 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(Br)cc3O)CCO2)n1 ZINC000111621729 655174412 /nfs/dbraw/zinc/17/44/12/655174412.db2.gz WVBXVJUAYZKZMD-AWEZNQCLSA-N 0 0 394.269 2.509 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(Br)ccc3O)CCO2)n1 ZINC000111621860 655174439 /nfs/dbraw/zinc/17/44/39/655174439.db2.gz RNVGFVPVOAGLLZ-CQSZACIVSA-N 0 0 394.269 2.509 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000111639669 655174641 /nfs/dbraw/zinc/17/46/41/655174641.db2.gz ZAMWINIENXGPSL-KGLIPLIRSA-N 0 0 377.268 2.914 10 0 GFAERN Cc1csc([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(=O)OC4)C2)n1 ZINC000173720675 655177553 /nfs/dbraw/zinc/17/75/53/655177553.db2.gz RYLBLIIXOFHJDB-LBPRGKRZSA-N 0 0 378.475 2.690 10 0 GFAERN C[C@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000173766060 655180673 /nfs/dbraw/zinc/18/06/73/655180673.db2.gz IAUNLPRIIWBWIV-BBRMVZONSA-N 0 0 382.302 2.626 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cc(Br)cs3)CC2)n1 ZINC000112035592 655180818 /nfs/dbraw/zinc/18/08/18/655180818.db2.gz VJXNZDQFQPKAKS-SNVBAGLBSA-N 0 0 399.314 2.975 10 0 GFAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)c1 ZINC000112093631 655182171 /nfs/dbraw/zinc/18/21/71/655182171.db2.gz PCYKUKSUFWWYPR-CYBMUJFWSA-N 0 0 390.292 2.588 10 0 GFAERN CC(C)Oc1cc(Br)cc(C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000174080217 655191825 /nfs/dbraw/zinc/19/18/25/655191825.db2.gz OSBSSZQHQGJWOM-CYBMUJFWSA-N 0 0 385.302 2.687 10 0 GFAERN C[C@H](CC(=O)O[C@H](C)c1cccs1)NC1=NS(=O)(=O)c2ccccc21 ZINC000174140419 655192890 /nfs/dbraw/zinc/19/28/90/655192890.db2.gz YIBHWEILZXYPRB-VXGBXAGGSA-N 0 0 378.475 2.870 10 0 GFAERN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@@H]1CCc2ncnn2C1 ZINC000112652401 655194549 /nfs/dbraw/zinc/19/45/49/655194549.db2.gz CRQCMPOBEYFEBH-SECBINFHSA-N 0 0 379.898 2.790 10 0 GFAERN O=C(Nc1cccc(I)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000174426076 655202262 /nfs/dbraw/zinc/20/22/62/655202262.db2.gz ICYHPESSZWVTDL-CYBMUJFWSA-N 0 0 397.220 2.752 10 0 GFAERN CC(C)[C@@H](C)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000174746470 655207214 /nfs/dbraw/zinc/20/72/14/655207214.db2.gz MZAMHAULWHRXNU-CQSZACIVSA-N 0 0 387.571 2.809 10 0 GFAERN C[C@@H](OC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@@H]1CCOC1 ZINC000175234336 655216030 /nfs/dbraw/zinc/21/60/30/655216030.db2.gz NUJFSVNMJATTGB-VXGBXAGGSA-N 0 0 395.253 2.517 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1cc(Br)ccc1F ZINC000175720761 655226152 /nfs/dbraw/zinc/22/61/52/655226152.db2.gz ZBVAYQICDQTUCB-CQSZACIVSA-N 0 0 396.264 2.865 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc3c(cccc3Br)[nH]1)CC2 ZINC000114862658 655229775 /nfs/dbraw/zinc/22/97/75/655229775.db2.gz PIOFMSWIFQBYDL-JTQLQIEISA-N 0 0 388.269 2.829 10 0 GFAERN CC1CCC(NS(=O)(=O)CC(=O)N2CCCC[C@H]2c2nccs2)CC1 ZINC000115366087 655236189 /nfs/dbraw/zinc/23/61/89/655236189.db2.gz LTWSNZSFAUKBGX-NRXISQOPSA-N 0 0 385.555 2.695 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)NCCc3ccc(Cl)s3)CC2)cn1 ZINC000115803513 655242222 /nfs/dbraw/zinc/24/22/22/655242222.db2.gz AKFMOYJMEUKULU-UHFFFAOYSA-N 0 0 381.933 2.595 10 0 GFAERN Cc1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1I ZINC000116123921 655244461 /nfs/dbraw/zinc/24/44/61/655244461.db2.gz JAVRQOPDZGNGNB-CYBMUJFWSA-N 0 0 395.244 2.963 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116212473 655246143 /nfs/dbraw/zinc/24/61/43/655246143.db2.gz CFNAGHZAYINWMJ-SWLSCSKDSA-N 0 0 382.869 2.964 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc(Br)cn3)C2)n1 ZINC000116779218 655253369 /nfs/dbraw/zinc/25/33/69/655253369.db2.gz CMCIRQRZFVUBQE-CYBMUJFWSA-N 0 0 378.274 2.605 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)n1 ZINC000116899705 655256218 /nfs/dbraw/zinc/25/62/18/655256218.db2.gz QIRCBOBBRRWDEZ-OAHLLOKOSA-N 0 0 382.917 2.958 10 0 GFAERN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000176950780 655263538 /nfs/dbraw/zinc/26/35/38/655263538.db2.gz KPDXYDKKNKMTHU-XHDPSFHLSA-N 0 0 399.285 2.859 10 0 GFAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000117521418 655265265 /nfs/dbraw/zinc/26/52/65/655265265.db2.gz UWJLKLUGRAWMFT-LBPRGKRZSA-N 0 0 388.295 2.501 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000118522231 655277698 /nfs/dbraw/zinc/27/76/98/655277698.db2.gz SYLYDSSPMONFSH-ZIAGYGMSSA-N 0 0 377.268 2.914 10 0 GFAERN O=C(CCc1ccccc1Br)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118672455 655280616 /nfs/dbraw/zinc/28/06/16/655280616.db2.gz KIMZXXBWWOWKKD-OAHLLOKOSA-N 0 0 389.297 2.957 10 0 GFAERN O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177552032 655281078 /nfs/dbraw/zinc/28/10/78/655281078.db2.gz DPZFWVPKKSQBOQ-BXKDBHETSA-N 0 0 376.787 2.547 10 0 GFAERN COC(=O)Cn1ccc(NC(=O)N[C@@H](C)c2ccccc2Br)n1 ZINC000118892777 655283052 /nfs/dbraw/zinc/28/30/52/655283052.db2.gz WEFFYNFUOGLONW-JTQLQIEISA-N 0 0 381.230 2.701 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cnc(C2CC2)nc1)c1cccc(Br)c1 ZINC000119942621 655322245 /nfs/dbraw/zinc/32/22/45/655322245.db2.gz UCBRTBYDPSZODW-SNVBAGLBSA-N 0 0 389.253 2.932 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cnc(C2CC2)nc1)c1cccc(Br)c1 ZINC000119942451 655322281 /nfs/dbraw/zinc/32/22/81/655322281.db2.gz UCBRTBYDPSZODW-JTQLQIEISA-N 0 0 389.253 2.932 10 0 GFAERN C[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000120442669 655336020 /nfs/dbraw/zinc/33/60/20/655336020.db2.gz PHZJRNIVNUBKEM-LLVKDONJSA-N 0 0 395.308 2.728 10 0 GFAERN O=C(Oc1ccc(F)cc1Br)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000120770494 655343546 /nfs/dbraw/zinc/34/35/46/655343546.db2.gz WLHJPVPTNCJYNH-SSDOTTSWSA-N 0 0 384.123 2.904 10 0 GFAERN C[C@H](CCS(C)(=O)=O)OC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000185742921 655366197 /nfs/dbraw/zinc/36/61/97/655366197.db2.gz VIKGTWCQGRQFCG-LERXQTSPSA-N 0 0 375.284 2.919 10 0 GFAERN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188531022 655380480 /nfs/dbraw/zinc/38/04/80/655380480.db2.gz CNBJGSGLOMEGHD-LLVKDONJSA-N 0 0 375.519 2.904 10 0 GFAERN CN(Cc1ccc(Cl)nc1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000193029130 655407985 /nfs/dbraw/zinc/40/79/85/655407985.db2.gz HTQUWWCBYSBXFI-CQSZACIVSA-N 0 0 379.869 2.795 10 0 GFAERN CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000194355107 655415298 /nfs/dbraw/zinc/41/52/98/655415298.db2.gz OMPDNYBPCYHXQJ-ZDUSSCGKSA-N 0 0 376.425 2.643 10 0 GFAERN Cn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2oc(Br)cc21 ZINC000223697037 655422344 /nfs/dbraw/zinc/42/23/44/655422344.db2.gz VSOUBMBFURWGOU-UHFFFAOYSA-N 0 0 389.253 2.891 10 0 GFAERN CC(C)Oc1cc(C(=O)NCC(=O)N(C)C)cc2oc(Br)cc21 ZINC000223651803 655422350 /nfs/dbraw/zinc/42/23/50/655422350.db2.gz NMYYFEOVGDHJFW-UHFFFAOYSA-N 0 0 383.242 2.801 10 0 GFAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCc2c(Br)ccc(F)c2C1 ZINC000248640402 655432941 /nfs/dbraw/zinc/43/29/41/655432941.db2.gz RDYVMVWVRHKSJR-CHWSQXEVSA-N 0 0 393.256 2.855 10 0 GFAERN O=S(=O)(/C=C\c1ccccc1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000255139536 655437464 /nfs/dbraw/zinc/43/74/64/655437464.db2.gz GJKFIQHTSXTODD-VHDZQUKYSA-N 0 0 379.503 2.873 10 0 GFAERN O=C(CNS(=O)(=O)/C=C\c1ccccc1)Nc1ccc(Br)cc1 ZINC000255544824 655439468 /nfs/dbraw/zinc/43/94/68/655439468.db2.gz NAUZEDOHCAWPBA-KHPPLWFESA-N 0 0 395.278 2.978 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2nc(-c3ccccc3Cl)cs2)CCO1 ZINC000262160370 655444172 /nfs/dbraw/zinc/44/41/72/655444172.db2.gz SPGUSMAHIJAGLP-LBPRGKRZSA-N 0 0 381.885 2.685 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(Nc2ccnc3cc(Br)cnc32)C1 ZINC000263538417 655452449 /nfs/dbraw/zinc/45/24/49/655452449.db2.gz AXESOLABBHHCRV-UHFFFAOYSA-N 0 0 379.258 2.742 10 0 GFAERN CCn1cc([C@H]2CN(S(=O)(=O)/C=C\c3ccccc3Cl)CCO2)cn1 ZINC000886074575 663102939 /nfs/dbraw/zinc/10/29/39/663102939.db2.gz RHXMVYVEGFKKQO-CGQZWFTASA-N 0 0 381.885 2.930 10 0 GFAERN CCOC(=O)c1ncc(Br)c(N2CCC[C@@H]2Cn2ccnc2C)n1 ZINC000892825143 663386104 /nfs/dbraw/zinc/38/61/04/663386104.db2.gz RYNRWMRKWCXDFA-GFCCVEGCSA-N 0 0 394.273 2.590 10 0 GFAERN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1 ZINC000504624138 231332005 /nfs/dbraw/zinc/33/20/05/231332005.db2.gz KEXKZZSHCPPTLW-BPQIPLTHSA-N 0 0 390.480 2.729 10 0 GFAERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccccc1 ZINC000017323286 210209129 /nfs/dbraw/zinc/20/91/29/210209129.db2.gz QXKCJBNHQQUMHV-KDOFPFPSSA-N 0 0 385.489 2.627 10 0 GFAERN CN1C2=NCCN2c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C1=O ZINC000015862587 210176644 /nfs/dbraw/zinc/17/66/44/210176644.db2.gz QWKQILJSJFCQPT-UHFFFAOYSA-N 0 0 384.823 2.619 10 0 GFAERN Cc1ccc(OCC(=O)N2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cc1 ZINC000015865371 210176712 /nfs/dbraw/zinc/17/67/12/210176712.db2.gz WIIBDKTXXYZFGW-UHFFFAOYSA-N 0 0 391.471 2.560 10 0 GFAERN COC[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000015791105 210171866 /nfs/dbraw/zinc/17/18/66/210171866.db2.gz KJBPQXJEAKPKQD-LBPRGKRZSA-N 0 0 382.869 2.906 10 0 GFAERN C[C@@H](NC(=O)c1cn(CCNC(=O)C2CCCCC2)nn1)c1cccs1 ZINC000014992562 210140428 /nfs/dbraw/zinc/14/04/28/210140428.db2.gz HSLAESLXJAZVIN-CYBMUJFWSA-N 0 0 375.498 2.527 10 0 GFAERN O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCCC1CCCC1 ZINC000013596084 210071042 /nfs/dbraw/zinc/07/10/42/210071042.db2.gz GIEBOQMUQBCKLR-FAKWYAOSSA-N 0 0 383.536 2.977 10 0 GFAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)N1CC=C(c2ccccc2)CC1 ZINC000012612990 209985917 /nfs/dbraw/zinc/98/59/17/209985917.db2.gz BTGURMZSNXROHZ-QFIPXVFZSA-N 0 0 389.499 2.693 10 0 GFAERN Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)NCCC(C)C ZINC000012209808 209921314 /nfs/dbraw/zinc/92/13/14/209921314.db2.gz ICCDMIHCTHZWAO-UHFFFAOYSA-N 0 0 388.555 2.558 10 0 GFAERN Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC000011872839 209890649 /nfs/dbraw/zinc/89/06/49/209890649.db2.gz SBWOVHJFSZLWBO-HKUYNNGSSA-N 0 0 378.476 2.745 10 0 GFAERN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCCc4ccccc43)c(C)cc21 ZINC000006893112 209702537 /nfs/dbraw/zinc/70/25/37/209702537.db2.gz VYWJYAAJRCANOL-UHFFFAOYSA-N 0 0 386.473 2.882 10 0 GFAERN COCCn1cc(C(=O)NCc2ccco2)c2c3ccccc3n(C)c2c1=O ZINC000002466271 209366271 /nfs/dbraw/zinc/36/62/71/209366271.db2.gz UAZDXZQSBNICSG-UHFFFAOYSA-N 0 0 379.416 2.663 10 0 GFAERN O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N1CCCC1 ZINC000001328911 209319907 /nfs/dbraw/zinc/31/99/07/209319907.db2.gz GZAFAWBEGAOVLK-UHFFFAOYSA-N 0 0 389.496 2.937 10 0 GFAERN CC(C)(C)C(=O)/C=c1/[nH]c(=O)/c(=C/c2cnn(-c3ccc(Cl)cc3)c2)s1 ZINC000104300464 209245050 /nfs/dbraw/zinc/24/50/50/209245050.db2.gz USTGXVVKQVIGOP-KSSYAZPISA-N 0 0 387.892 2.500 10 0 GFAERN Cc1ccc(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CC[NH2+]CC4)cc32)c(C)c1 ZINC000005930847 209233090 /nfs/dbraw/zinc/23/30/90/209233090.db2.gz GBUIYURVKFXHFL-UHFFFAOYSA-N 0 0 395.434 2.854 10 0 GFAERN Cc1c(N2C[C@@H]3[NH2+]CCC[C@H]3C2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12 ZINC000003952886 209230008 /nfs/dbraw/zinc/23/00/08/209230008.db2.gz LPFFKRSIFTURFF-GUYCJALGSA-N 0 0 385.439 2.511 10 0 GFAERN C[C@H]1[C@@H](O)CCCN1C(=O)c1cc(Cl)ccc1I ZINC000394986722 563530578 /nfs/dbraw/zinc/53/05/78/563530578.db2.gz AXPBFGBYVMNHEB-UFBFGSQYSA-N 0 0 379.625 2.930 10 0 GFAERN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H](C)O[C@@H](C)C3)c2c1C ZINC000016046942 209165789 /nfs/dbraw/zinc/16/57/89/209165789.db2.gz WLOPTSZMPMDNSW-BETUJISGSA-N 0 0 376.526 2.754 10 0 GFAERN CCO[C@H](C)c1noc(CN2CCCC[C@H]2c2ccc(C(=O)NC)n2C)n1 ZINC000328623674 209149038 /nfs/dbraw/zinc/14/90/38/209149038.db2.gz CBKPTMCBBFHTDV-HIFRSBDPSA-N 0 0 375.473 2.592 10 0 GFAERN CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000005415530 211568853 /nfs/dbraw/zinc/56/88/53/211568853.db2.gz SZJDSXFZRWPLGZ-IRXDYDNUSA-N 0 0 389.496 2.888 10 0 GFAERN CC(C)Cn1c(C[C@H]2CCN(C(=O)NC[C@@H]3CCCO3)C2)nc2cccnc21 ZINC000096125000 211302513 /nfs/dbraw/zinc/30/25/13/211302513.db2.gz AHWZUXBLDCWIKV-SJORKVTESA-N 0 0 385.512 2.840 10 0 GFAERN Cc1cnc(S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1Cl ZINC000095089649 211219660 /nfs/dbraw/zinc/21/96/60/211219660.db2.gz FEARQXSCLSSIFX-NSHDSACASA-N 0 0 375.878 2.612 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@@H](CS(=O)(=O)c2cc(Cl)ncn2)C1 ZINC000095085495 211218629 /nfs/dbraw/zinc/21/86/29/211218629.db2.gz SRVPSXDCVZGQNC-LLVKDONJSA-N 0 0 375.878 2.551 10 0 GFAERN Cc1nnsc1CN1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000091625545 211199241 /nfs/dbraw/zinc/19/92/41/211199241.db2.gz ZFGCJAKKPIQKOB-FQEVSTJZSA-N 0 0 385.537 2.689 10 0 GFAERN Cc1c([C@H](C)NC(=O)CCc2[nH]nc3c2CCCC3)cnn1-c1ccccn1 ZINC000091587096 211196666 /nfs/dbraw/zinc/19/66/66/211196666.db2.gz VXHSGPNPCTWIEJ-AWEZNQCLSA-N 0 0 378.480 2.988 10 0 GFAERN Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)c4cc5n(n4)CCN(C)C5)C3)nc21 ZINC000067643163 211013065 /nfs/dbraw/zinc/01/30/65/211013065.db2.gz JFGOTDZXCRVYCZ-OAHLLOKOSA-N 0 0 378.480 2.533 10 0 GFAERN COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N1CCCCCCC1 ZINC000055168615 210884094 /nfs/dbraw/zinc/88/40/94/210884094.db2.gz QOBZZWXRAUSBHD-BQYDLMEBSA-N 0 0 399.535 2.692 10 0 GFAERN COc1ccc(CC2(CO)CCN(S(=O)(=O)c3ccsc3)CC2)cc1 ZINC000023310630 210440560 /nfs/dbraw/zinc/44/05/60/210440560.db2.gz VTGUCIQKHNNIRG-UHFFFAOYSA-N 0 0 381.519 2.763 10 0 GFAERN COc1ccc(CNC(=O)CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000021881255 210397855 /nfs/dbraw/zinc/39/78/55/210397855.db2.gz HQZYMQKWHDSDCE-UHFFFAOYSA-N 0 0 390.443 2.612 10 0 GFAERN CC[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020766267 210361537 /nfs/dbraw/zinc/36/15/37/210361537.db2.gz WUFVXVMOSARFKB-IDCJVQTKSA-N 0 0 382.526 2.693 10 0 GFAERN Cc1c[nH]c(CN(C)C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n1 ZINC000020293450 210328013 /nfs/dbraw/zinc/32/80/13/210328013.db2.gz SKDQOTVETSTZOC-UHFFFAOYSA-N 0 0 396.491 2.770 10 0 GFAERN COc1ccccc1C(=O)N1CCN=C1N1CCN(c2cccc(Cl)c2)CC1 ZINC000065306466 136162954 /nfs/dbraw/zinc/16/29/54/136162954.db2.gz BQCXSNPRMIIXKU-UHFFFAOYSA-N 0 0 398.894 2.983 10 0 GFAERN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(N2CCOCC2)nc1 ZINC000224250292 136206507 /nfs/dbraw/zinc/20/65/07/136206507.db2.gz CPZKOWCYMWSURK-UHFFFAOYSA-N 0 0 381.461 2.997 10 0 GFAERN Cc1cc(CNC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCOCC2)n1 ZINC000224229960 136206524 /nfs/dbraw/zinc/20/65/24/136206524.db2.gz NSYNGGXICATQKA-UHFFFAOYSA-N 0 0 379.823 2.736 10 0 GFAERN CCO[C@]1(C(=O)Nc2cc(I)ccc2C)CCOC1 ZINC000401562876 563535448 /nfs/dbraw/zinc/53/54/48/563535448.db2.gz YLJQCOMVAFGNSP-CQSZACIVSA-N 0 0 375.206 2.734 10 0 GFAERN NC(=O)C1CCN(Cc2nc(C3CC3)nn2-c2ccccc2C(F)(F)F)CC1 ZINC000065424497 222129211 /nfs/dbraw/zinc/12/92/11/222129211.db2.gz KGXBYQIBNKNBFO-UHFFFAOYSA-N 0 0 393.413 2.861 10 0 GFAERN COc1cc2[nH]c(=O)n(Cc3ccc(Br)cc3)c(=O)c2cc1OC ZINC000073657936 522986506 /nfs/dbraw/zinc/98/65/06/522986506.db2.gz MZAMOUZNBMSQPV-UHFFFAOYSA-N 0 0 391.221 2.518 10 0 GFAERN COc1cccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4F)CC3)n2)c1 ZINC000057341665 525698548 /nfs/dbraw/zinc/69/85/48/525698548.db2.gz XLQHEVZXOOXOKQ-UHFFFAOYSA-N 0 0 380.423 2.911 10 0 GFAERN CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]12C ZINC000504397675 526321340 /nfs/dbraw/zinc/32/13/40/526321340.db2.gz VRADRJBKILTRPZ-GMWXWBICSA-N 0 0 388.552 2.785 10 0 GFAERN COc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)c(I)c1 ZINC000121195088 551228998 /nfs/dbraw/zinc/22/89/98/551228998.db2.gz YHYWZFPUZYGWFA-NOZJJQNGSA-N 0 0 375.206 2.597 10 0 GFAERN CN1CCN(c2ncc(NC(=O)COc3ccc(Cl)cc3Cl)cn2)CC1 ZINC000224254414 536427178 /nfs/dbraw/zinc/42/71/78/536427178.db2.gz SYBQHAGLFDQCOD-UHFFFAOYSA-N 0 0 396.278 2.553 10 0 GFAERN C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C[C@@H](C)O1 ZINC000027339505 551122683 /nfs/dbraw/zinc/12/26/83/551122683.db2.gz UIJTWPNMQYDPBD-VXGBXAGGSA-N 0 0 388.917 2.666 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000028265887 551123761 /nfs/dbraw/zinc/12/37/61/551123761.db2.gz MFENGTSLIVLLBN-CYBMUJFWSA-N 0 0 375.288 2.592 10 0 GFAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1c(Cl)nc2ccccn21 ZINC000045044728 551145142 /nfs/dbraw/zinc/14/51/42/551145142.db2.gz KOSSDAJFCDUOFW-GFCCVEGCSA-N 0 0 375.837 2.636 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Br ZINC000048808786 551157654 /nfs/dbraw/zinc/15/76/54/551157654.db2.gz XQENVITUNMYKFA-JTQLQIEISA-N 0 0 391.221 2.994 10 0 GFAERN COCCCCNC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000054820262 551170690 /nfs/dbraw/zinc/17/06/90/551170690.db2.gz MASJEUBZXAUTSW-AWEZNQCLSA-N 0 0 387.274 2.779 10 0 GFAERN C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000067804092 551190479 /nfs/dbraw/zinc/19/04/79/551190479.db2.gz UDRQIUAVJQIVLY-LLVKDONJSA-N 0 0 397.294 2.516 10 0 GFAERN NS(=O)(=O)c1cc(F)cc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000110078203 551202134 /nfs/dbraw/zinc/20/21/34/551202134.db2.gz MDDDZRDGQYWKBU-OAHLLOKOSA-N 0 0 383.832 2.936 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1Br ZINC000113580122 551208172 /nfs/dbraw/zinc/20/81/72/551208172.db2.gz JDGUTZFZPKMUQH-GHMZBOCLSA-N 0 0 377.304 2.633 10 0 GFAERN COc1ccc(Br)cc1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116426025 551213154 /nfs/dbraw/zinc/21/31/54/551213154.db2.gz WDCBAQQAIJIVER-LBPRGKRZSA-N 0 0 393.285 2.890 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)cc1Br ZINC000119485304 551216626 /nfs/dbraw/zinc/21/66/26/551216626.db2.gz SBRYPXMNNULUIL-UHFFFAOYSA-N 0 0 391.269 2.825 10 0 GFAERN O=C(Cc1ccccc1I)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119624886 551217704 /nfs/dbraw/zinc/21/77/04/551217704.db2.gz FEENAKASBHRNFM-PBHICJAKSA-N 0 0 399.272 2.987 10 0 GFAERN O=C(CNC(=O)c1sc2ccccc2c1Cl)NC[C@H]1CCCC[C@H]1O ZINC000121106856 551227486 /nfs/dbraw/zinc/22/74/86/551227486.db2.gz AGHHNQDOULOWAX-DGCLKSJQSA-N 0 0 380.897 2.952 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)c2cc(-c3ccc(Cl)s3)on2)n1 ZINC000121136361 551227877 /nfs/dbraw/zinc/22/78/77/551227877.db2.gz CITZSLJGCHZDON-SNVBAGLBSA-N 0 0 380.813 2.962 10 0 GFAERN COc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)c(I)c1 ZINC000121194976 551229132 /nfs/dbraw/zinc/22/91/32/551229132.db2.gz YHYWZFPUZYGWFA-TVQRCGJNSA-N 0 0 375.206 2.597 10 0 GFAERN C[C@@H](NC(=O)c1cc(F)c(F)cc1I)[C@H]1CCCO1 ZINC000121192194 551229213 /nfs/dbraw/zinc/22/92/13/551229213.db2.gz XHQBJCMTJGLVHK-JMCQJSRRSA-N 0 0 381.160 2.867 10 0 GFAERN Cc1nc(C)c(CCC(=O)N[C@H](C)c2cccc(Br)c2)c(=O)[nH]1 ZINC000121248562 551230500 /nfs/dbraw/zinc/23/05/00/551230500.db2.gz INLBSSFUAPVQBH-SNVBAGLBSA-N 0 0 378.270 2.959 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000121273247 551231164 /nfs/dbraw/zinc/23/11/64/551231164.db2.gz FCMUNICMFVSWDU-VIFPVBQESA-N 0 0 392.670 2.712 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000121343944 551232079 /nfs/dbraw/zinc/23/20/79/551232079.db2.gz BTYGZOUVUMNYEN-NSHDSACASA-N 0 0 395.535 2.893 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000121467082 551235137 /nfs/dbraw/zinc/23/51/37/551235137.db2.gz NZRPDMYCWGNJSP-LLVKDONJSA-N 0 0 380.853 2.559 10 0 GFAERN COc1ccc(Br)c(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)c1 ZINC000121562674 551237265 /nfs/dbraw/zinc/23/72/65/551237265.db2.gz NHYFLRJCBPSIBY-UHFFFAOYSA-N 0 0 393.329 2.899 10 0 GFAERN Cc1cc(Br)cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000124333891 551313592 /nfs/dbraw/zinc/31/35/92/551313592.db2.gz BGWSYMUEOWWYJH-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000126443171 551330123 /nfs/dbraw/zinc/33/01/23/551330123.db2.gz KYTNMWRJGBKJQP-ZIAGYGMSSA-N 0 0 377.535 2.710 10 0 GFAERN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000126442734 551330515 /nfs/dbraw/zinc/33/05/15/551330515.db2.gz KYTNMWRJGBKJQP-KGLIPLIRSA-N 0 0 377.535 2.710 10 0 GFAERN Cc1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)c(Br)n1 ZINC000131822037 551376140 /nfs/dbraw/zinc/37/61/40/551376140.db2.gz VSQIUJITDNJDTC-UHFFFAOYSA-N 0 0 376.258 2.659 10 0 GFAERN COC[C@@H](C)CNC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC000139575629 551392207 /nfs/dbraw/zinc/39/22/07/551392207.db2.gz DBDOAHDNTSJKGO-SMDDNHRTSA-N 0 0 387.274 2.635 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(I)c(F)c1 ZINC000151123093 551407584 /nfs/dbraw/zinc/40/75/84/551407584.db2.gz SPDKYLMQKJOFKK-GWCFXTLKSA-N 0 0 377.197 2.711 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1CCCO1 ZINC000151239317 551409478 /nfs/dbraw/zinc/40/94/78/551409478.db2.gz XVMFAXKFUITFEZ-QPUJVOFHSA-N 0 0 375.650 2.725 10 0 GFAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C2)c1 ZINC000151707901 551419900 /nfs/dbraw/zinc/41/99/00/551419900.db2.gz MOEXUPZINRAQDP-CYBMUJFWSA-N 0 0 381.885 2.726 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)cn1 ZINC000153005853 551444636 /nfs/dbraw/zinc/44/46/36/551444636.db2.gz CQBVXHGDYJXAIO-UHFFFAOYSA-N 0 0 382.295 2.657 10 0 GFAERN C[C@H]1CN([C@@H](CNC(=O)NCCc2cscn2)c2cccs2)CCO1 ZINC000153724222 551459118 /nfs/dbraw/zinc/45/91/18/551459118.db2.gz QQTRNPQLKSQYHC-ZFWWWQNUSA-N 0 0 380.539 2.508 10 0 GFAERN O=C(c1ccc(Br)c(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000154094493 551467283 /nfs/dbraw/zinc/46/72/83/551467283.db2.gz ZSTFMURUGLJQBJ-LBPRGKRZSA-N 0 0 384.661 2.840 10 0 GFAERN O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000154441861 551475261 /nfs/dbraw/zinc/47/52/61/551475261.db2.gz QZRIAXDCZZCKSK-NOZJJQNGSA-N 0 0 389.677 2.708 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(Br)c1 ZINC000154520212 551477186 /nfs/dbraw/zinc/47/71/86/551477186.db2.gz NDBPTSUINFEWNM-ZDUSSCGKSA-N 0 0 378.274 2.937 10 0 GFAERN CS(=O)(=O)c1csc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000154653661 551480494 /nfs/dbraw/zinc/48/04/94/551480494.db2.gz ZFBANJWABUIODC-GOEBONIOSA-N 0 0 379.503 2.880 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)Cc2cccc(I)c2)cn1 ZINC000154848259 551484465 /nfs/dbraw/zinc/48/44/65/551484465.db2.gz GSVGWWPBGWCHCT-OAHLLOKOSA-N 0 0 395.244 2.931 10 0 GFAERN O=C(CNC(=O)c1ccc(Br)cc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000154935566 551486123 /nfs/dbraw/zinc/48/61/23/551486123.db2.gz JMNLLIRCKJNQFV-HNNXBMFYSA-N 0 0 391.269 2.656 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000154982082 551487787 /nfs/dbraw/zinc/48/77/87/551487787.db2.gz TTZISMDJBCRNLY-CYBMUJFWSA-N 0 0 385.251 2.761 10 0 GFAERN COCCN1CCN(C(=O)c2ccc(Br)c(Cl)c2)C[C@@H]1C ZINC000155330706 551497516 /nfs/dbraw/zinc/49/75/16/551497516.db2.gz UIWDTRROXYGGJD-NSHDSACASA-N 0 0 375.694 2.895 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)[C@H](C)Cc3ccc(Br)cc3)CCO2)[nH]1 ZINC000156389220 551521829 /nfs/dbraw/zinc/52/18/29/551521829.db2.gz MJZBZLHFGXLBRJ-ABAIWWIYSA-N 0 0 393.285 2.654 10 0 GFAERN Cc1ccc([C@H](C)NC(=O)NCCNS(=O)(=O)c2cc(C)sc2C)o1 ZINC000156664699 551526643 /nfs/dbraw/zinc/52/66/43/551526643.db2.gz STABGZAYCNSILE-LBPRGKRZSA-N 0 0 385.511 2.605 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(C)c(Br)cc3C)CCO2)[nH]1 ZINC000157970155 551545654 /nfs/dbraw/zinc/54/56/54/551545654.db2.gz WPNDXUGWXNDUSB-AWEZNQCLSA-N 0 0 379.258 2.706 10 0 GFAERN O=S(=O)(c1cc(F)ccc1F)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158509502 551552874 /nfs/dbraw/zinc/55/28/74/551552874.db2.gz CIEYAHKIGARGGT-IAQYHMDHSA-N 0 0 375.343 2.740 10 0 GFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000158996916 551559826 /nfs/dbraw/zinc/55/98/26/551559826.db2.gz OMNKEDIYTFVILA-ZETCQYMHSA-N 0 0 396.175 2.669 10 0 GFAERN COc1ccc(Br)c(CC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000159128908 551561225 /nfs/dbraw/zinc/56/12/25/551561225.db2.gz FRTCYDPCKMWTLX-CQSZACIVSA-N 0 0 379.258 2.551 10 0 GFAERN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000159264029 551562787 /nfs/dbraw/zinc/56/27/87/551562787.db2.gz LRCYIAAKZZDMPF-IUODEOHRSA-N 0 0 395.297 2.737 10 0 GFAERN C[C@@H]1CN(C(=O)CCCc2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000164422816 551625797 /nfs/dbraw/zinc/62/57/97/551625797.db2.gz LNSZDLYSVWTJLP-QAPCUYQASA-N 0 0 395.341 2.951 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1nnc2n1CCCC2 ZINC000165550260 551629408 /nfs/dbraw/zinc/62/94/08/551629408.db2.gz SXYFBAJRXOXHLB-SECBINFHSA-N 0 0 382.251 2.737 10 0 GFAERN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H]1C[C@@H]1C ZINC000171051733 551645300 /nfs/dbraw/zinc/64/53/00/551645300.db2.gz VNYKODCGVVCOSB-TUKIKUTGSA-N 0 0 382.302 2.942 10 0 GFAERN Cc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1I ZINC000171099294 551646648 /nfs/dbraw/zinc/64/66/48/551646648.db2.gz JIYLOWYYFJUZMN-AWEZNQCLSA-N 0 0 384.261 2.910 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CCS[C@H](C)C1 ZINC000171436453 551655686 /nfs/dbraw/zinc/65/56/86/551655686.db2.gz VSMSCNARAFLZEN-LLVKDONJSA-N 0 0 386.315 2.843 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)c2cc(C)ccc2I)C1 ZINC000171470914 551656410 /nfs/dbraw/zinc/65/64/10/551656410.db2.gz MECKXETUZQLSEJ-LLVKDONJSA-N 0 0 387.217 2.625 10 0 GFAERN Brc1ccccc1-c1nnc(CN2CCC[C@@H](n3cncn3)C2)o1 ZINC000171528568 551657643 /nfs/dbraw/zinc/65/76/43/551657643.db2.gz BFLZSXZFJOHBAV-GFCCVEGCSA-N 0 0 389.257 2.928 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1ccccc1Br)CC2 ZINC000171557555 551658157 /nfs/dbraw/zinc/65/81/57/551658157.db2.gz RCFDCACKZLYZIT-ZDUSSCGKSA-N 0 0 377.286 2.838 10 0 GFAERN C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CCS1 ZINC000171578965 551658313 /nfs/dbraw/zinc/65/83/13/551658313.db2.gz LZKJWRXZRWUXIP-ZDUSSCGKSA-N 0 0 396.559 2.804 10 0 GFAERN COC(=O)C1(NC[C@@H](O)COc2cccc(Br)c2)CCCCC1 ZINC000171943518 551667020 /nfs/dbraw/zinc/66/70/20/551667020.db2.gz HIUXPIAINBVOAR-CQSZACIVSA-N 0 0 386.286 2.654 10 0 GFAERN C[C@H](NC(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000172805773 551686950 /nfs/dbraw/zinc/68/69/50/551686950.db2.gz TYYRFLWLCJJTSW-ZFWWWQNUSA-N 0 0 386.323 2.577 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)C(C)(C)c3cccc(Br)c3)CCO2)[nH]1 ZINC000173091490 551695230 /nfs/dbraw/zinc/69/52/30/551695230.db2.gz XBXIRGSPIAIAHL-AWEZNQCLSA-N 0 0 393.285 2.753 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)[C@@H]3SCCc4sccc43)CC2)cn1 ZINC000173094563 551696124 /nfs/dbraw/zinc/69/61/24/551696124.db2.gz AIYLPLMBZPHPSS-QGZVFWFLSA-N 0 0 376.551 2.547 10 0 GFAERN Cn1cc(Br)cc1C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173621010 552089455 /nfs/dbraw/zinc/08/94/55/552089455.db2.gz STIVMOHZVXHXIJ-LBPRGKRZSA-N 0 0 386.290 2.917 10 0 GFAERN CC(C)n1cc(Br)cc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000173634741 552089934 /nfs/dbraw/zinc/08/99/34/552089934.db2.gz OEIAEJCNSRCKJJ-CYBMUJFWSA-N 0 0 380.290 2.975 10 0 GFAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1sccc1Br ZINC000173829738 552093167 /nfs/dbraw/zinc/09/31/67/552093167.db2.gz HKKDNBIXVMATKC-WDEREUQCSA-N 0 0 379.345 2.758 10 0 GFAERN COc1ccc(Br)cc1CNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174458212 552104608 /nfs/dbraw/zinc/10/46/08/552104608.db2.gz BWXBSXYKSXYIGT-CQSZACIVSA-N 0 0 394.273 2.596 10 0 GFAERN Cc1ccc([C@@H](CNS(=O)(=O)Cc2ccccc2)N2CCOCC2)s1 ZINC000175218450 552118031 /nfs/dbraw/zinc/11/80/31/552118031.db2.gz OSBVIVVEPJIUAB-QGZVFWFLSA-N 0 0 380.535 2.549 10 0 GFAERN COc1ccc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1Br ZINC000175744162 552128038 /nfs/dbraw/zinc/12/80/38/552128038.db2.gz CYPSPXPLHWMGSX-CYBMUJFWSA-N 0 0 394.273 2.692 10 0 GFAERN Cc1ccc([C@H](CNC(=O)Cc2c(C)noc2Cl)N2CCOCC2)s1 ZINC000176575375 552141895 /nfs/dbraw/zinc/14/18/95/552141895.db2.gz ZGSLWOOZRXHRDZ-AWEZNQCLSA-N 0 0 383.901 2.739 10 0 GFAERN CCOC(=O)[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(Br)cc1F ZINC000176687147 552144096 /nfs/dbraw/zinc/14/40/96/552144096.db2.gz AMPZWIFLHAKKFZ-ZIAGYGMSSA-N 0 0 397.248 2.909 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(I)c1 ZINC000177695974 552157105 /nfs/dbraw/zinc/15/71/05/552157105.db2.gz IMAKZJNHJWLNEM-LBPRGKRZSA-N 0 0 397.220 2.848 10 0 GFAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3cc(Br)cn(C)c3=O)C2)c1 ZINC000177979932 552162000 /nfs/dbraw/zinc/16/20/00/552162000.db2.gz OOPHQAAJLFEHFK-ZDUSSCGKSA-N 0 0 394.273 2.522 10 0 GFAERN Cc1nn(C)c(Cl)c1C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000177977176 552162314 /nfs/dbraw/zinc/16/23/14/552162314.db2.gz LASFZDQYICORDB-YPMHNXCESA-N 0 0 382.917 2.635 10 0 GFAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCCC[C@H]2c2nccs2)c1C ZINC000178519998 552171861 /nfs/dbraw/zinc/17/18/61/552171861.db2.gz BCCXWKHNJBLETE-HNNXBMFYSA-N 0 0 379.507 2.775 10 0 GFAERN Cn1c(CS(=O)(=O)Cc2csc(-c3ccsc3)n2)nnc1C1CC1 ZINC000180054519 552210949 /nfs/dbraw/zinc/21/09/49/552210949.db2.gz XQTJQMWETZSTGX-UHFFFAOYSA-N 0 0 380.520 2.993 10 0 GFAERN Cc1nc(S(=O)(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)sc1Br ZINC000180104574 552213202 /nfs/dbraw/zinc/21/32/02/552213202.db2.gz OTNSPZNWHUQOOG-QMMMGPOBSA-N 0 0 399.332 2.565 10 0 GFAERN Cn1cc(Br)cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1=O ZINC000180700270 552233394 /nfs/dbraw/zinc/23/33/94/552233394.db2.gz QPXJLAJHAZLHRO-CYBMUJFWSA-N 0 0 380.246 2.630 10 0 GFAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000181348629 552254274 /nfs/dbraw/zinc/25/42/74/552254274.db2.gz OLQAZZYLIGWZGT-JTQLQIEISA-N 0 0 382.247 2.816 10 0 GFAERN Cc1cc(N(Cc2nnc(C3CC3)n2C)S(C)(=O)=O)ccc1Br ZINC000183248407 552303872 /nfs/dbraw/zinc/30/38/72/552303872.db2.gz JGTOQDCYQOZMLE-UHFFFAOYSA-N 0 0 399.314 2.730 10 0 GFAERN C[C@H](CNC(=O)NCCOCc1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000183471489 552310245 /nfs/dbraw/zinc/31/02/45/552310245.db2.gz LZUNSKLPANAIAI-CYBMUJFWSA-N 0 0 390.311 2.530 10 0 GFAERN CCCCSc1ccc(Cl)cc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000185014579 552351425 /nfs/dbraw/zinc/35/14/25/552351425.db2.gz JLUBGELIVHXRRZ-OAHLLOKOSA-N 0 0 386.945 2.655 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cc(F)c(C)cc2F)C12CCOCC2 ZINC000185147021 552355512 /nfs/dbraw/zinc/35/55/12/552355512.db2.gz JDDXITLHEGNVOB-CVEARBPZSA-N 0 0 375.437 2.526 10 0 GFAERN O=C([C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)N1CCN(CCO)CC1 ZINC000185560465 552365886 /nfs/dbraw/zinc/36/58/86/552365886.db2.gz TZHAVUNAFWAZIC-NVXWUHKLSA-N 0 0 387.307 2.598 10 0 GFAERN CSc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1Cl ZINC000185903568 552373938 /nfs/dbraw/zinc/37/39/38/552373938.db2.gz OGBULCVXKQORDI-LBPRGKRZSA-N 0 0 386.930 2.754 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2O)C12CCOCC2 ZINC000186462443 552388070 /nfs/dbraw/zinc/38/80/70/552388070.db2.gz ILKQLOSLTGIWKR-GJZGRUSLSA-N 0 0 384.270 2.859 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(Br)c(O)c2)C12CCOCC2 ZINC000186453581 552388091 /nfs/dbraw/zinc/38/80/91/552388091.db2.gz XYJDNLVXDWIPNL-CABCVRRESA-N 0 0 384.270 2.859 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2O)C12CCOCC2 ZINC000186462462 552388145 /nfs/dbraw/zinc/38/81/45/552388145.db2.gz ILKQLOSLTGIWKR-HUUCEWRRSA-N 0 0 384.270 2.859 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(F)cc1Br ZINC000186830565 552399190 /nfs/dbraw/zinc/39/91/90/552399190.db2.gz ZFVBGNJPDXOJJH-CYBMUJFWSA-N 0 0 397.248 2.520 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(F)c(I)c1 ZINC000187691129 552421888 /nfs/dbraw/zinc/42/18/88/552421888.db2.gz IAEAVMQHTGHBDB-CQSZACIVSA-N 0 0 391.180 2.598 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cc(Br)ccc1C ZINC000187793359 552424395 /nfs/dbraw/zinc/42/43/95/552424395.db2.gz HIUKXWIWYXWERE-CQSZACIVSA-N 0 0 378.274 2.992 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000188169555 552437672 /nfs/dbraw/zinc/43/76/72/552437672.db2.gz YFAYHAMVNJQSDQ-UHFFFAOYSA-N 0 0 393.285 2.910 10 0 GFAERN Cc1ccc(Br)nc1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000188325631 552442303 /nfs/dbraw/zinc/44/23/03/552442303.db2.gz RMHCHMBZQPMDGR-NSHDSACASA-N 0 0 378.274 2.612 10 0 GFAERN O=C(CCc1cc(F)ccc1Br)N1CC(NC(=O)C2CCC2)C1 ZINC000188472790 552446277 /nfs/dbraw/zinc/44/62/77/552446277.db2.gz PHDHOQKDTFMVTE-UHFFFAOYSA-N 0 0 383.261 2.648 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1cccc(Br)n1)CC2 ZINC000188507273 552446569 /nfs/dbraw/zinc/44/65/69/552446569.db2.gz UKTHSQAORYMGNF-SNVBAGLBSA-N 0 0 379.262 2.696 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)CCOc1ccc(Cl)cc1Br ZINC000188859103 552456981 /nfs/dbraw/zinc/45/69/81/552456981.db2.gz GGDIDRILXZAEDE-SNVBAGLBSA-N 0 0 389.677 2.608 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)CCOc1ccc(Cl)cc1Br ZINC000188859118 552457022 /nfs/dbraw/zinc/45/70/22/552457022.db2.gz GGDIDRILXZAEDE-JTQLQIEISA-N 0 0 389.677 2.608 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(Br)ncc3Cl)CCO2)c1 ZINC000188865038 552457057 /nfs/dbraw/zinc/45/70/57/552457057.db2.gz YGGWWNNYWRKMJM-LLVKDONJSA-N 0 0 399.676 2.544 10 0 GFAERN O=S(=O)(c1ccc(C(F)(F)F)nc1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188880879 552457379 /nfs/dbraw/zinc/45/73/79/552457379.db2.gz AJSIIEFHJDYLHN-YPMHNXCESA-N 0 0 392.424 2.559 10 0 GFAERN CCC(=O)c1cccc(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188883481 552457632 /nfs/dbraw/zinc/45/76/32/552457632.db2.gz NLJLUHVLOIUOJE-RDJZCZTQSA-N 0 0 379.503 2.737 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(Br)sc1Br ZINC000188948501 552459071 /nfs/dbraw/zinc/45/90/71/552459071.db2.gz FDXLLNWSJVKPQL-ZCFIWIBFSA-N 0 0 396.104 2.624 10 0 GFAERN COCCN1CCN(C(=O)Nc2cc(Br)c(F)cc2F)C[C@H]1C ZINC000189062842 552462132 /nfs/dbraw/zinc/46/21/32/552462132.db2.gz SKSLVELBUYUYLL-SNVBAGLBSA-N 0 0 392.244 2.912 10 0 GFAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(Br)nc2C)C1 ZINC000190137286 552488252 /nfs/dbraw/zinc/48/82/52/552488252.db2.gz VBHGAGACVPYRGB-JQWIXIFHSA-N 0 0 396.245 2.838 10 0 GFAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000191051337 552517345 /nfs/dbraw/zinc/51/73/45/552517345.db2.gz XEYRYOFMIFFNRN-ONGXEEELSA-N 0 0 379.263 2.827 10 0 GFAERN COC[C@@H](C)C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191352866 552526178 /nfs/dbraw/zinc/52/61/78/552526178.db2.gz AVWYEKNBOLFIBN-GFCCVEGCSA-N 0 0 388.302 2.840 10 0 GFAERN CC[C@H](CNC(=O)N1CCCNC(=O)[C@H]1C)Cc1cccc(Br)c1 ZINC000191409371 552527736 /nfs/dbraw/zinc/52/77/36/552527736.db2.gz SKYDWZMPNHMQNL-KGLIPLIRSA-N 0 0 396.329 2.938 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Cc3ccccc3Br)CCO2)cn1 ZINC000191719441 552536039 /nfs/dbraw/zinc/53/60/39/552536039.db2.gz VDESCLHVYMCUDB-MRXNPFEDSA-N 0 0 378.270 2.808 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000191765682 552537448 /nfs/dbraw/zinc/53/74/48/552537448.db2.gz GGWHMOKYNUKRAB-CYBMUJFWSA-N 0 0 379.298 2.998 10 0 GFAERN O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000192075193 552549488 /nfs/dbraw/zinc/54/94/88/552549488.db2.gz PGJWQOFWESLKHS-ONGXEEELSA-N 0 0 389.677 2.708 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cccc(Br)c3F)CCO2)c1 ZINC000192102365 552551125 /nfs/dbraw/zinc/55/11/25/552551125.db2.gz CSNIIASFWNNPHF-LBPRGKRZSA-N 0 0 382.233 2.634 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1C ZINC000192122804 552551793 /nfs/dbraw/zinc/55/17/93/552551793.db2.gz VCVVWCSCQQNSPI-LLVKDONJSA-N 0 0 391.256 2.910 10 0 GFAERN O=C(Nc1ccc(Br)cn1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000192837134 552975877 /nfs/dbraw/zinc/97/58/77/552975877.db2.gz DWCWKCCXZSIOMC-UHFFFAOYSA-N 0 0 378.270 2.724 10 0 GFAERN CC(C)N(C)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000193331212 552990679 /nfs/dbraw/zinc/99/06/79/552990679.db2.gz ZIJOWKRDHWEYCF-MRXNPFEDSA-N 0 0 378.519 2.731 10 0 GFAERN O=C(c1ccoc1Br)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000193555933 552996718 /nfs/dbraw/zinc/99/67/18/552996718.db2.gz SGECSYPNQPEJKV-HNNXBMFYSA-N 0 0 379.254 2.534 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)CCO2)n1 ZINC000193943474 553007512 /nfs/dbraw/zinc/00/75/12/553007512.db2.gz SZDVMVGQKOHBNQ-NSHDSACASA-N 0 0 398.897 2.743 10 0 GFAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000194536772 553023790 /nfs/dbraw/zinc/02/37/90/553023790.db2.gz SZSISBUIFGAEIL-GXTWGEPZSA-N 0 0 377.242 2.625 10 0 GFAERN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@@H]1CNC(=O)C1 ZINC000194815004 553031172 /nfs/dbraw/zinc/03/11/72/553031172.db2.gz SVCHAIIATRDART-SJCJKPOMSA-N 0 0 391.240 2.930 10 0 GFAERN O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)[C@H]1COCCN1 ZINC000236601618 553069663 /nfs/dbraw/zinc/06/96/63/553069663.db2.gz FFDUCWBQZGURGE-MRXNPFEDSA-N 0 0 391.265 2.955 10 0 GFAERN O=S(=O)(c1ccc(Br)c(F)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246195073 553104134 /nfs/dbraw/zinc/10/41/34/553104134.db2.gz OIDAGIKAPKKYNA-ZIAGYGMSSA-N 0 0 378.263 2.920 10 0 GFAERN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246282200 553105950 /nfs/dbraw/zinc/10/59/50/553105950.db2.gz ALUCHTHCRBKAMF-XJKCOSOUSA-N 0 0 386.323 2.973 10 0 GFAERN Cc1nc(CC(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)c(C)s1 ZINC000246901988 553114850 /nfs/dbraw/zinc/11/48/50/553114850.db2.gz FKDQWRNUAPWNEF-LRDDRELGSA-N 0 0 379.551 2.942 10 0 GFAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000246902846 553115256 /nfs/dbraw/zinc/11/52/56/553115256.db2.gz HUFVQURRGVZYRP-BVPBIZIASA-N 0 0 393.325 2.732 10 0 GFAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1c(=S)[nH]nc1-c1cccs1 ZINC000246937183 553115928 /nfs/dbraw/zinc/11/59/28/553115928.db2.gz KNTVSKPYWDJUNX-OLZOCXBDSA-N 0 0 377.539 2.754 10 0 GFAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000247158175 553119705 /nfs/dbraw/zinc/11/97/05/553119705.db2.gz QJZXKTMVTJTKQQ-DVOMOZLQSA-N 0 0 387.307 2.940 10 0 GFAERN Cn1cc([C@H]2CSCCN2C[C@@H](O)COCc2ccc(Cl)cc2)cn1 ZINC000248706591 553133239 /nfs/dbraw/zinc/13/32/39/553133239.db2.gz HJECLYJBYQSUSE-QZTJIDSGSA-N 0 0 381.929 2.741 10 0 GFAERN COc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)c(C)c1F ZINC000249422934 553142914 /nfs/dbraw/zinc/14/29/14/553142914.db2.gz DVFCDUNCYMRWGB-UONOGXRCSA-N 0 0 385.482 2.601 10 0 GFAERN CCOC(=O)[C@@H](C)N(C[C@@H](O)COc1cccc(Br)c1)C1CC1 ZINC000249490663 553143831 /nfs/dbraw/zinc/14/38/31/553143831.db2.gz VFXZEWHYSFJGNC-IUODEOHRSA-N 0 0 386.286 2.605 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)[C@@H]2SCCc3sccc32)C1 ZINC000262711908 553174039 /nfs/dbraw/zinc/17/40/39/553174039.db2.gz LYIUMIYJLJJYGI-QWQCLYJRSA-N 0 0 380.535 2.522 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2ccc(F)cc2Br)C1 ZINC000262718414 553174477 /nfs/dbraw/zinc/17/44/77/553174477.db2.gz ONLIWICLJMYCBJ-UHFFFAOYSA-N 0 0 399.260 2.646 10 0 GFAERN C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262891830 553177969 /nfs/dbraw/zinc/17/79/69/553177969.db2.gz CNLSNTPWZLKXSY-OASPWFOLSA-N 0 0 378.778 2.540 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(F)ccc2Br)C1 ZINC000263028081 553180984 /nfs/dbraw/zinc/18/09/84/553180984.db2.gz KDGBKGAVSCWFCM-UHFFFAOYSA-N 0 0 388.237 2.647 10 0 GFAERN O=C([O-])[C@@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1C(F)(F)F ZINC000263076561 553182085 /nfs/dbraw/zinc/18/20/85/553182085.db2.gz XDBDYFJLDZVXHT-JHJVBQTASA-N 0 0 376.762 2.640 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(Br)cc2C)C1 ZINC000263504547 553188720 /nfs/dbraw/zinc/18/87/20/553188720.db2.gz VCTBSHRTANUOJE-UHFFFAOYSA-N 0 0 384.274 2.817 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(c2ncc(Br)cc2Cl)CC1 ZINC000263565934 553189718 /nfs/dbraw/zinc/18/97/18/553189718.db2.gz WBIAICKUGPQNGE-LLVKDONJSA-N 0 0 376.682 2.873 10 0 GFAERN O=C1N2CCN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2CN1C1CCOCC1 ZINC000096269141 560054113 /nfs/dbraw/zinc/05/41/13/560054113.db2.gz JMLIJLOMAGZSSF-MRXNPFEDSA-N 0 0 399.413 2.686 10 0 GFAERN COc1ccc(CN2C[C@H]3CN(C(=O)c4ccc(C)cc4)CCN3C2=O)cc1 ZINC000096269078 560054334 /nfs/dbraw/zinc/05/43/34/560054334.db2.gz JODGWYJRHVPYMW-LJQANCHMSA-N 0 0 379.460 2.766 10 0 GFAERN COc1cc([C@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC ZINC000029041840 560091491 /nfs/dbraw/zinc/09/14/91/560091491.db2.gz ZGLXUQQMLLIKAN-QTJFZDIUSA-N 0 0 398.411 2.918 10 0 biogenic,in-vitro GFAERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(C(=O)Nc3nncs3)cn2)C1 ZINC000301520309 563406025 /nfs/dbraw/zinc/40/60/25/563406025.db2.gz DBBKTRJJWAXBNA-DSGZJRDPSA-N 0 0 379.511 2.677 10 0 GFAERN CNS(=O)(=O)Cc1cccc(CNc2ncc(Br)cc2C)c1 ZINC000301617178 563408810 /nfs/dbraw/zinc/40/88/10/563408810.db2.gz KIJVIKPMPDRJEF-UHFFFAOYSA-N 0 0 384.299 2.814 10 0 GFAERN CCc1cc(=O)n2nc(N3CCC(Nc4nc(C)cs4)CC3)sc2n1 ZINC000302302825 563424569 /nfs/dbraw/zinc/42/45/69/563424569.db2.gz YYTZBRMVNRATRX-UHFFFAOYSA-N 0 0 376.511 2.559 10 0 GFAERN C[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000384879083 563517890 /nfs/dbraw/zinc/51/78/90/563517890.db2.gz QIOYQTNZDZLBJA-PRHODGIISA-N 0 0 379.625 2.930 10 0 GFAERN Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c(=O)[nH]1 ZINC000023478442 570324722 /nfs/dbraw/zinc/32/47/22/570324722.db2.gz ZSEGJFFWHISLFV-AWEZNQCLSA-N 0 0 394.397 2.804 10 0 GFAERN O=C(C1CCCC1)N1CCSc2nnc(COc3ccc(F)cc3F)n21 ZINC000034812432 570334717 /nfs/dbraw/zinc/33/47/17/570334717.db2.gz XBTTVYPNLKEGFA-UHFFFAOYSA-N 0 0 380.420 2.896 10 0 GFAERN CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NC1CCCCCC1 ZINC000011842406 570437890 /nfs/dbraw/zinc/43/78/90/570437890.db2.gz PTUYWAAUBYDLGI-LJQANCHMSA-N 0 0 387.524 2.615 10 0 GFAERN O=C(Nc1ccnc(O[C@@H]2CCOC2)c1)c1cnn(-c2ccc(F)cc2F)c1 ZINC000127496909 570458256 /nfs/dbraw/zinc/45/82/56/570458256.db2.gz FVZBXEIHYYFUAM-OAHLLOKOSA-N 0 0 386.358 2.966 10 0 GFAERN CC(C)NC(=S)N1C[C@H](C(=O)NCc2cccnc2)[C@@H](c2ccccc2)C1 ZINC000036042449 570520338 /nfs/dbraw/zinc/52/03/38/570520338.db2.gz ICXUCLGWQBWNQM-MOPGFXCFSA-N 0 0 382.533 2.696 10 0 GFAERN COc1cc([C@@H]2NS(=O)(=O)N=C3CCCCCN32)ccc1OCC(C)C ZINC000006848381 570646833 /nfs/dbraw/zinc/64/68/33/570646833.db2.gz ZEAABKDFOUZAPL-GOSISDBHSA-N 0 0 381.498 2.851 10 0 GFAERN Nc1c(-c2ccncc2)nsc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000065150086 570839924 /nfs/dbraw/zinc/83/99/24/570839924.db2.gz WAIYIEAIJDCCAO-UHFFFAOYSA-N 0 0 379.489 2.745 10 0 GFAERN O=C(c1ccc(Oc2ccccc2Br)nc1)N1CCNC(=O)CC1 ZINC000065902064 571019465 /nfs/dbraw/zinc/01/94/65/571019465.db2.gz AFHZJJJFJNTIGE-UHFFFAOYSA-N 0 0 390.237 2.599 10 0 GFAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)ccc1OC ZINC000017908709 654522259 /nfs/dbraw/zinc/52/22/59/654522259.db2.gz FPLBUWMHMVOPPT-NSHDSACASA-N 0 0 382.869 2.748 10 0 GFAERN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000036628062 654612476 /nfs/dbraw/zinc/61/24/76/654612476.db2.gz KYVFDONMJYCLJG-CHWSQXEVSA-N 0 0 388.917 2.618 10 0 GFAERN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCO[C@H]2CCCC[C@H]21 ZINC000046496063 654681868 /nfs/dbraw/zinc/68/18/68/654681868.db2.gz IKVBUCSDCJEXIW-KGLIPLIRSA-N 0 0 377.384 2.764 10 0 GFAERN C[C@@H](NC(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1)c1cccs1 ZINC000052500199 654735900 /nfs/dbraw/zinc/73/59/00/654735900.db2.gz ALGWCCHAFBUYAW-GFCCVEGCSA-N 0 0 379.507 2.949 10 0 GFAERN CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000122909665 654746647 /nfs/dbraw/zinc/74/66/47/654746647.db2.gz SQNASJUNRDCYPV-CABCVRRESA-N 0 0 383.286 2.931 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3cccc(C)c3Br)CCO2)[nH]1 ZINC000124947297 654784218 /nfs/dbraw/zinc/78/42/18/654784218.db2.gz TYDJELKVCXLVAD-LBPRGKRZSA-N 0 0 379.258 2.652 10 0 GFAERN O=C(CSc1nncs1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000131319487 654901720 /nfs/dbraw/zinc/90/17/20/654901720.db2.gz RIOFQPVUPJRXIO-VXGBXAGGSA-N 0 0 389.424 2.984 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000133785607 654974056 /nfs/dbraw/zinc/97/40/56/654974056.db2.gz USKDOTSKQNPNCX-NWDGAFQWSA-N 0 0 379.254 2.908 10 0 GFAERN Cc1nn(C)c(Cl)c1CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000069218049 654977565 /nfs/dbraw/zinc/97/75/65/654977565.db2.gz XTXOWYQYDSCLTH-AAEUAGOBSA-N 0 0 383.901 2.563 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(Br)cc1 ZINC000070704765 654993896 /nfs/dbraw/zinc/99/38/96/654993896.db2.gz ZXOSTTVWAZQXIM-CYBMUJFWSA-N 0 0 376.272 2.559 10 0 GFAERN CCn1c2ccc(Br)cc2[nH]c1=NC(=O)[C@H](NC(=O)OC)C(C)C ZINC000092105599 655012042 /nfs/dbraw/zinc/01/20/42/655012042.db2.gz LRJZBSFSKSYUHW-CYBMUJFWSA-N 0 0 397.273 2.560 10 0 GFAERN O=C(/C=C\c1cccs1)NCc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000096905276 655032262 /nfs/dbraw/zinc/03/22/62/655032262.db2.gz MFKLLTZAPLZYKI-ALCCZGGFSA-N 0 0 382.532 2.924 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)C(C)C)c1 ZINC000102932553 655064020 /nfs/dbraw/zinc/06/40/20/655064020.db2.gz CFCMITMYZGOYCZ-LBPRGKRZSA-N 0 0 396.962 2.693 10 0 GFAERN Cc1nc(C)c(COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)s1 ZINC000103822792 655076409 /nfs/dbraw/zinc/07/64/09/655076409.db2.gz SFWCAWMRYPXFPC-HNNXBMFYSA-N 0 0 380.491 2.656 10 0 GFAERN C[C@@H](NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H]1CCCO1 ZINC000105570241 655094906 /nfs/dbraw/zinc/09/49/06/655094906.db2.gz FRLUHPFKBWVTTC-MFKMUULPSA-N 0 0 394.273 2.601 10 0 GFAERN CC(=O)Nc1nc(CN(C)C[C@@H](c2cccs2)N2CCOCC2)cs1 ZINC000106162370 655104158 /nfs/dbraw/zinc/10/41/58/655104158.db2.gz JNYMFBADXZIFPJ-HNNXBMFYSA-N 0 0 380.539 2.668 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000106394728 655107896 /nfs/dbraw/zinc/10/78/96/655107896.db2.gz CEYSLCLQNMZRKJ-HNNXBMFYSA-N 0 0 379.913 2.992 10 0 GFAERN COC(=O)C[C@@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000158758500 655108773 /nfs/dbraw/zinc/10/87/73/655108773.db2.gz RFBKSYWDUHUEKL-CYBMUJFWSA-N 0 0 389.260 2.971 10 0 GFAERN CC(C)c1n[nH]c(C(=O)N2CCC(Nc3cccnn3)CC2)c1Br ZINC000106918303 655114723 /nfs/dbraw/zinc/11/47/23/655114723.db2.gz SNXWHDCGHMANEN-UHFFFAOYSA-N 0 0 393.289 2.802 10 0 GFAERN COC(=O)N[C@@H](C(=O)Nc1ccccc1I)C(C)C ZINC000108148974 655128522 /nfs/dbraw/zinc/12/85/22/655128522.db2.gz KZUOCKOPKOHRLB-LLVKDONJSA-N 0 0 376.194 2.610 10 0 GFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1ncnc2c1c(Br)nn2C ZINC000108951234 655139645 /nfs/dbraw/zinc/13/96/45/655139645.db2.gz ILSDNOXDANECJM-LLVKDONJSA-N 0 0 390.289 2.818 10 0 GFAERN Cc1cc(Br)ccc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000109629703 655149243 /nfs/dbraw/zinc/14/92/43/655149243.db2.gz OOFVJPAJGMFOEB-UHFFFAOYSA-N 0 0 375.270 2.900 10 0 GFAERN CCn1cc(CN2CCCN(C(=O)c3ccc(Br)o3)CC2)cn1 ZINC000109662560 655150100 /nfs/dbraw/zinc/15/01/00/655150100.db2.gz DYICUEUPAQVVAA-UHFFFAOYSA-N 0 0 381.274 2.607 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3ccc(Br)cc3)CCO2)n1 ZINC000110901054 655161423 /nfs/dbraw/zinc/16/14/23/655161423.db2.gz JNVROOIZUAEZCO-QGZVFWFLSA-N 0 0 392.297 2.733 10 0 GFAERN O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111081085 655164260 /nfs/dbraw/zinc/16/42/60/655164260.db2.gz UPQVBXAJEMNCTC-BRWVUGGUSA-N 0 0 390.281 2.677 10 0 GFAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000111344179 655169374 /nfs/dbraw/zinc/16/93/74/655169374.db2.gz UBGRYFMUZSZOEU-LBPRGKRZSA-N 0 0 394.396 2.804 10 0 GFAERN Cc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(=O)OC4)C2)n1 ZINC000173720661 655177593 /nfs/dbraw/zinc/17/75/93/655177593.db2.gz RYLBLIIXOFHJDB-GFCCVEGCSA-N 0 0 378.475 2.690 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)n1 ZINC000112035715 655181072 /nfs/dbraw/zinc/18/10/72/655181072.db2.gz CUIYCRHXZVXKPF-SNVBAGLBSA-N 0 0 384.267 2.853 10 0 GFAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCO2)c1 ZINC000112093879 655182037 /nfs/dbraw/zinc/18/20/37/655182037.db2.gz IFCUYNNNSSDBHL-LBPRGKRZSA-N 0 0 390.292 2.588 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1C ZINC000174302636 655198080 /nfs/dbraw/zinc/19/80/80/655198080.db2.gz PAUGQNOYNFJVRC-WDEREUQCSA-N 0 0 375.694 2.630 10 0 GFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000174564578 655203535 /nfs/dbraw/zinc/20/35/35/655203535.db2.gz QPCOTPIKJZZHPF-ZETCQYMHSA-N 0 0 396.175 2.669 10 0 GFAERN COc1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1Br ZINC000174572463 655203876 /nfs/dbraw/zinc/20/38/76/655203876.db2.gz HYLVVXNMCAEALF-ZDUSSCGKSA-N 0 0 394.273 2.596 10 0 GFAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000113369173 655208774 /nfs/dbraw/zinc/20/87/74/655208774.db2.gz UWTZTSMKPZKDEA-RYUDHWBXSA-N 0 0 391.331 2.975 10 0 GFAERN C[C@@H](OC(=O)COc1ccc(I)cc1)[C@H]1CCOC1 ZINC000175262959 655216761 /nfs/dbraw/zinc/21/67/61/655216761.db2.gz DBSNUBJWUYXJSN-MNOVXSKESA-N 0 0 376.190 2.638 10 0 GFAERN CCn1cc([C@@H]2CN(S(=O)(=O)/C=C/c3ccccc3Cl)CCO2)cn1 ZINC000275339272 655230507 /nfs/dbraw/zinc/23/05/07/655230507.db2.gz RHXMVYVEGFKKQO-JEJOPICUSA-N 0 0 381.885 2.930 10 0 GFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000115387765 655236667 /nfs/dbraw/zinc/23/66/67/655236667.db2.gz NIDGMYZPBCQONG-UHFFFAOYSA-N 0 0 391.313 2.757 10 0 GFAERN C[C@H](CNC(=O)NCC1(c2cccc(Br)c2)CC1)N1CCOCC1 ZINC000115653762 655240902 /nfs/dbraw/zinc/24/09/02/655240902.db2.gz BGRBLCUHBRQNNH-CQSZACIVSA-N 0 0 396.329 2.501 10 0 GFAERN CC(C)n1nnnc1CSCC(=O)N(C)Cc1ccccc1Br ZINC000176908751 655260603 /nfs/dbraw/zinc/26/06/03/655260603.db2.gz XFEFIZSCHYAASM-UHFFFAOYSA-N 0 0 398.330 2.908 10 0 GFAERN Cc1cnn(C[C@@H]2CN(Cn3ncc4c3cccc4Br)CCO2)c1 ZINC000117864062 655269092 /nfs/dbraw/zinc/26/90/92/655269092.db2.gz RHGXLZWOYKGKAF-AWEZNQCLSA-N 0 0 390.285 2.662 10 0 GFAERN O=C(CCCOc1cccc(Br)c1)N[C@H]1CCCn2ncnc21 ZINC000177561636 655281380 /nfs/dbraw/zinc/28/13/80/655281380.db2.gz DVWPUGKXVXQOCI-AWEZNQCLSA-N 0 0 379.258 2.851 10 0 GFAERN CN1CCO[C@@H](CNC(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177989385 655294047 /nfs/dbraw/zinc/29/40/47/655294047.db2.gz XQTQJRAQCNDCBW-QMMMGPOBSA-N 0 0 380.645 2.694 10 0 GFAERN CCO[C@@H]1C[C@@H](OC(=O)Cn2cc(Br)ccc2=O)C12CCCC2 ZINC000119711766 655312098 /nfs/dbraw/zinc/31/20/98/655312098.db2.gz YCJLRYIGPGYBDD-ZIAGYGMSSA-N 0 0 384.270 2.892 10 0 GFAERN CCOC(=O)C[C@@H](NC(=O)C[C@H](O)C(C)C)c1cccc(Br)c1 ZINC000184853879 655359839 /nfs/dbraw/zinc/35/98/39/655359839.db2.gz PHPVXYVUTWPDJJ-CABCVRRESA-N 0 0 386.286 2.967 10 0 GFAERN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2c2csc(C)n2)ccc1F ZINC000188023027 655377595 /nfs/dbraw/zinc/37/75/95/655377595.db2.gz UKFUAXBRCGENAC-HNNXBMFYSA-N 0 0 384.454 2.903 10 0 GFAERN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000189409419 655386268 /nfs/dbraw/zinc/38/62/68/655386268.db2.gz JAYWARSTAOZNFG-CABZTGNLSA-N 0 0 393.259 2.512 10 0 GFAERN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000192734593 655406789 /nfs/dbraw/zinc/40/67/89/655406789.db2.gz HTCRMYQGGCVIBN-LLVKDONJSA-N 0 0 377.853 2.714 10 0 GFAERN Cc1c(Cl)cccc1NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000193132419 655408586 /nfs/dbraw/zinc/40/85/86/655408586.db2.gz YHIFJGRRIKNURO-NSHDSACASA-N 0 0 377.853 2.714 10 0 GFAERN CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000215217005 655421747 /nfs/dbraw/zinc/42/17/47/655421747.db2.gz YVBHLXNCNYGHHY-SEYXRHQNSA-N 0 0 380.491 2.786 10 0 GFAERN O=C(c1cc2oc(Br)cc2[nH]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000223959810 655422461 /nfs/dbraw/zinc/42/24/61/655422461.db2.gz XHQADVKSQSNZOX-UHFFFAOYSA-N 0 0 392.209 2.715 10 0 GFAERN CC[C@@H](c1nn(CN2CCS(=O)(=O)[C@@H](C)C2)c(=S)o1)c1ccccc1 ZINC000246963038 655430920 /nfs/dbraw/zinc/43/09/20/655430920.db2.gz GGBPECPQSDRNJV-DZGCQCFKSA-N 0 0 381.523 2.824 10 0 GFAERN O=S(=O)(/C=C\c1ccc(Br)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000255301269 655438051 /nfs/dbraw/zinc/43/80/51/655438051.db2.gz CCXOBBYFOWAXRO-SOIVGHGOSA-N 0 0 397.298 2.678 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000263560058 655452634 /nfs/dbraw/zinc/45/26/34/655452634.db2.gz QUQURYQLLHQGEO-UHFFFAOYSA-N 0 0 378.270 2.983 10 0 GFAERN Cc1ncoc1C(=O)N1CCc2c(c(C(=O)NC3CCCC3)nn2CC(C)C)C1 ZINC000014532894 210119349 /nfs/dbraw/zinc/11/93/49/210119349.db2.gz RHZZQOXLOAUYSM-UHFFFAOYSA-N 0 0 399.495 2.706 10 0 GFAERN Cc1nn(C[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(C)c1Br ZINC000002795644 209386904 /nfs/dbraw/zinc/38/69/04/209386904.db2.gz ITSOMVMYEOJWEA-VIFPVBQESA-N 0 0 379.258 2.636 10 0 GFAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000030762030 209192091 /nfs/dbraw/zinc/19/20/91/209192091.db2.gz PMNQWYUYANZREC-UONOGXRCSA-N 0 0 396.417 2.578 10 0 GFAERN Cc1noc(C)c1CC(=O)N1CCOc2ccc([C@@H](O)c3ccccn3)cc2C1 ZINC000299756735 212031395 /nfs/dbraw/zinc/03/13/95/212031395.db2.gz FEXYDYXZOOPXQE-JOCHJYFZSA-N 0 0 393.443 2.732 10 0 GFAERN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2c(c(OC)ccc2OC)n1C ZINC000334162695 209177351 /nfs/dbraw/zinc/17/73/51/209177351.db2.gz XFXIMCKKJQKMGK-MRXNPFEDSA-N 0 0 396.443 2.710 10 0 GFAERN O=C(Nc1ccnc(O[C@H]2CCOC2)c1)c1cnn(-c2ccc(F)cc2F)c1 ZINC000127497149 211479003 /nfs/dbraw/zinc/47/90/03/211479003.db2.gz FVZBXEIHYYFUAM-HNNXBMFYSA-N 0 0 386.358 2.966 10 0 GFAERN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000096332390 211335047 /nfs/dbraw/zinc/33/50/47/211335047.db2.gz HCLFDMZHKFMQQN-SNVBAGLBSA-N 0 0 376.338 2.761 10 0 GFAERN CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccnc(Cl)n2)CC1 ZINC000095084213 211218809 /nfs/dbraw/zinc/21/88/09/211218809.db2.gz RHZIIRUIGYZILO-UHFFFAOYSA-N 0 0 375.878 2.551 10 0 GFAERN CC(=O)N1CCc2c(nc(N(C)C)nc2N[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000077437877 211134764 /nfs/dbraw/zinc/13/47/64/211134764.db2.gz XUTSKKKZNFMJJT-LLVKDONJSA-N 0 0 375.423 2.899 10 0 GFAERN Cn1c([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)s3)C2)nc2cccnc21 ZINC000065285157 210984591 /nfs/dbraw/zinc/98/45/91/210984591.db2.gz KDXZNSLAXXEQRZ-SNVBAGLBSA-N 0 0 382.898 2.861 10 0 GFAERN Cc1ccc(N2CC[C@@H](NS(=O)(=O)Cc3ccccc3F)C2=O)cc1C ZINC000065229309 210977155 /nfs/dbraw/zinc/97/71/55/210977155.db2.gz ARWLBIVSQYBHGE-GOSISDBHSA-N 0 0 376.453 2.667 10 0 GFAERN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc3oc(C)nc3c2)C1 ZINC000065195699 210973576 /nfs/dbraw/zinc/97/35/76/210973576.db2.gz LVGDAYJFETVKPO-HNNXBMFYSA-N 0 0 379.416 2.814 10 0 GFAERN Cc1ccc(NC(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1C ZINC000064893474 210953823 /nfs/dbraw/zinc/95/38/23/210953823.db2.gz YOSJZYOECBWROZ-UHFFFAOYSA-N 0 0 381.480 2.863 10 0 GFAERN Cc1cccc(OCC(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)c1 ZINC000048212318 210846501 /nfs/dbraw/zinc/84/65/01/210846501.db2.gz BPHZCOSQDRFDQY-UHFFFAOYSA-N 0 0 377.448 2.891 10 0 GFAERN CCN(CC)C(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)C(C)C)CC1 ZINC000036157461 210711981 /nfs/dbraw/zinc/71/19/81/210711981.db2.gz ZNPWLUHQGAABNH-LJQANCHMSA-N 0 0 387.524 2.548 10 0 GFAERN O=S(=O)(c1ccccc1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000021153643 210378726 /nfs/dbraw/zinc/37/87/26/210378726.db2.gz KYXHOYRVLXVTMC-UHFFFAOYSA-N 0 0 380.473 2.655 10 0 GFAERN Cc1ccc(CNC(=O)c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)o1 ZINC000064989231 136158407 /nfs/dbraw/zinc/15/84/07/136158407.db2.gz IANNUJHSOFSGKP-UHFFFAOYSA-N 0 0 378.432 2.812 10 0 GFAERN Cc1nc2cc(N3CCC[C@H](C(=O)NCc4ccccn4)C3)cnc2nc1C ZINC000065307592 136162952 /nfs/dbraw/zinc/16/29/52/136162952.db2.gz VWQFXCYOYZYFKK-INIZCTEOSA-N 0 0 376.464 2.569 10 0 GFAERN CCCc1cncnc1N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091254785 136176028 /nfs/dbraw/zinc/17/60/28/136176028.db2.gz LLSIIYSBDKQPMO-OAQYLSRUSA-N 0 0 382.512 2.604 10 0 GFAERN O=C(NC[C@@H]1CCCO1)c1csc(N2CCN(c3ccccc3F)CC2)n1 ZINC000096386373 136186698 /nfs/dbraw/zinc/18/66/98/136186698.db2.gz CNJCKTAWJVDMKM-AWEZNQCLSA-N 0 0 390.484 2.518 10 0 GFAERN COc1ccc(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)cc1Cl ZINC000224167286 136206415 /nfs/dbraw/zinc/20/64/15/136206415.db2.gz CSODJGZXHOVJPV-UHFFFAOYSA-N 0 0 396.900 2.607 10 0 GFAERN Cc1ccc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)c(Cl)c1 ZINC000224230326 136206565 /nfs/dbraw/zinc/20/65/65/136206565.db2.gz WTLNIKLSAGPORS-UHFFFAOYSA-N 0 0 375.860 2.905 10 0 GFAERN CCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3cn(C)nc3C)C2)ncn1 ZINC000065245113 535521486 /nfs/dbraw/zinc/52/14/86/535521486.db2.gz LSZHHAQFBOHKNB-RDJZCZTQSA-N 0 0 399.543 2.824 10 0 GFAERN CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000056942913 551178803 /nfs/dbraw/zinc/17/88/03/551178803.db2.gz JEPUPNZSMGOQPI-NSHDSACASA-N 0 0 379.885 2.511 10 0 GFAERN Cc1ccc([C@H](C)NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)o1 ZINC000057465173 551180536 /nfs/dbraw/zinc/18/05/36/551180536.db2.gz LXGVQYQQBSPFBT-ZDUSSCGKSA-N 0 0 382.507 2.854 10 0 GFAERN COc1ccc(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1Br ZINC000116427519 551213482 /nfs/dbraw/zinc/21/34/82/551213482.db2.gz HGMPQHKOAKUBEF-ZDUSSCGKSA-N 0 0 393.285 2.890 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(Cc3cc(O)ccc3Br)CC2)n1 ZINC000121406857 551233952 /nfs/dbraw/zinc/23/39/52/551233952.db2.gz OCRQDCZVXOPQFN-GFCCVEGCSA-N 0 0 395.301 2.979 10 0 GFAERN Cc1cc(Br)cc(C(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000128085207 551346504 /nfs/dbraw/zinc/34/65/04/551346504.db2.gz GEMTXAYBFZGYKM-UHFFFAOYSA-N 0 0 375.270 2.900 10 0 GFAERN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000129393189 551356924 /nfs/dbraw/zinc/35/69/24/551356924.db2.gz UKLWYSKGTURIGD-STQMWFEESA-N 0 0 387.293 2.604 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(Br)c(C)[nH]c1=O ZINC000130321741 551363234 /nfs/dbraw/zinc/36/32/34/551363234.db2.gz CCQCFKBWHXHQDN-LBPRGKRZSA-N 0 0 379.258 2.668 10 0 GFAERN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@H](n2cncn2)C1 ZINC000151598628 551417720 /nfs/dbraw/zinc/41/77/20/551417720.db2.gz DPQGZXKSYJMJFA-AWEZNQCLSA-N 0 0 375.281 2.752 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)Cc2ccc(Br)cc2C)n1 ZINC000152790946 551440159 /nfs/dbraw/zinc/44/01/59/551440159.db2.gz QNOKJRZUWAODAH-AWEZNQCLSA-N 0 0 380.242 2.592 10 0 GFAERN O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000152918951 551442871 /nfs/dbraw/zinc/44/28/71/551442871.db2.gz IRWHJXQGLXMYLL-ZIAGYGMSSA-N 0 0 382.448 2.633 10 0 GFAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ncccc1Br ZINC000154318865 551472220 /nfs/dbraw/zinc/47/22/20/551472220.db2.gz TVZSYVNPSIFRDV-NWDGAFQWSA-N 0 0 397.294 2.884 10 0 GFAERN C[C@@H](CNC(=O)NCC1(c2ccccc2Br)CC1)N1CCOCC1 ZINC000154452487 551475754 /nfs/dbraw/zinc/47/57/54/551475754.db2.gz ILJPUIHVWKTDCD-AWEZNQCLSA-N 0 0 396.329 2.501 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000155133903 551492325 /nfs/dbraw/zinc/49/23/25/551492325.db2.gz NKEKTFAETGTOFV-DOMZBBRYSA-N 0 0 398.301 2.953 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000155271348 551496237 /nfs/dbraw/zinc/49/62/37/551496237.db2.gz ZIIVEBIDTQWIRU-PRHODGIISA-N 0 0 375.650 2.725 10 0 GFAERN CCOC(=O)Cc1nnc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000155534683 551502152 /nfs/dbraw/zinc/50/21/52/551502152.db2.gz DLSMTPZXBMHUIM-BDAKNGLRSA-N 0 0 380.392 2.886 10 0 GFAERN CCn1c(SCC(=O)NC[C@H]2CCCC[C@H]2O)nnc1-c1cccs1 ZINC000155683196 551505666 /nfs/dbraw/zinc/50/56/66/551505666.db2.gz LKGOIJNSTIPHTH-CHWSQXEVSA-N 0 0 380.539 2.786 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(C(F)(F)F)cc1Cl ZINC000155740017 551506912 /nfs/dbraw/zinc/50/69/12/551506912.db2.gz GBNNTTFVVOEQLU-JTQLQIEISA-N 0 0 380.779 2.764 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(F)c(I)c1 ZINC000156153416 551515835 /nfs/dbraw/zinc/51/58/35/551515835.db2.gz PEOAWRDBIVPERT-ZWNOBZJWSA-N 0 0 377.197 2.711 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(Cl)cc1Br ZINC000156285532 551519371 /nfs/dbraw/zinc/51/93/71/551519371.db2.gz CYLDEHSMLIOBMD-ZANVPECISA-N 0 0 389.677 2.708 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)[C@@H](C)Cc3ccc(Br)cc3)CCO2)[nH]1 ZINC000156389103 551521630 /nfs/dbraw/zinc/52/16/30/551521630.db2.gz MJZBZLHFGXLBRJ-XHDPSFHLSA-N 0 0 393.285 2.654 10 0 GFAERN COC[C@H](NC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1)C1CC1 ZINC000158391350 551551139 /nfs/dbraw/zinc/55/11/39/551551139.db2.gz LHDVLIROSUSMHX-CABCVRRESA-N 0 0 399.285 2.778 10 0 GFAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000158974311 551559221 /nfs/dbraw/zinc/55/92/21/551559221.db2.gz BHVJGQGSFKWGOP-BZNIZROVSA-N 0 0 392.297 2.749 10 0 GFAERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(Br)c1 ZINC000162136102 551603480 /nfs/dbraw/zinc/60/34/80/551603480.db2.gz VBEWVHPMGIGSCS-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN CC(C)[C@H](O)CC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000162498092 551609250 /nfs/dbraw/zinc/60/92/50/551609250.db2.gz HYARZDHZXFCQEG-DGCLKSJQSA-N 0 0 379.810 2.856 10 0 GFAERN Cc1ccc([C@H](C)NCC(=O)NCC(=O)Nc2ccccc2Br)o1 ZINC000171235082 551650909 /nfs/dbraw/zinc/65/09/09/551650909.db2.gz CRCHTTUPQKRGKW-LBPRGKRZSA-N 0 0 394.269 2.756 10 0 GFAERN O=C(N1CCC[C@@H](n2cncn2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000171662438 551660421 /nfs/dbraw/zinc/66/04/21/551660421.db2.gz MRISXKCIMFBCOO-OAHLLOKOSA-N 0 0 375.270 2.936 10 0 GFAERN Brc1ccc(-c2noc(CN3CCC[C@H](n4cncn4)C3)n2)s1 ZINC000172247859 551674506 /nfs/dbraw/zinc/67/45/06/551674506.db2.gz NPIHQCSSKYTSOI-JTQLQIEISA-N 0 0 395.286 2.989 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccc(F)cc1Cl ZINC000172462162 551679983 /nfs/dbraw/zinc/67/99/83/551679983.db2.gz JNVRHXXJTDCBQN-SECBINFHSA-N 0 0 384.816 2.964 10 0 GFAERN C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172767517 551686311 /nfs/dbraw/zinc/68/63/11/551686311.db2.gz DFZKYHGBHOLFLC-HIFRSBDPSA-N 0 0 399.354 2.863 10 0 GFAERN O=C(CCSc1ccccc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000172767361 551686500 /nfs/dbraw/zinc/68/65/00/551686500.db2.gz JXYIXXQQBQCFHE-AWEZNQCLSA-N 0 0 399.354 2.864 10 0 GFAERN CC(C)(C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000172756435 551686604 /nfs/dbraw/zinc/68/66/04/551686604.db2.gz CKNDALWZXUYRNX-MRXNPFEDSA-N 0 0 381.314 2.660 10 0 GFAERN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C)c1F ZINC000172992134 551691518 /nfs/dbraw/zinc/69/15/18/551691518.db2.gz GBBSVEQRPTVMOK-ZDUSSCGKSA-N 0 0 385.482 2.886 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1sc(C)c(Br)c1OC)CC2 ZINC000173479904 552086526 /nfs/dbraw/zinc/08/65/26/552086526.db2.gz RDGLWPGDGNNWRO-SECBINFHSA-N 0 0 399.314 2.726 10 0 GFAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000173827532 552093288 /nfs/dbraw/zinc/09/32/88/552093288.db2.gz RKDZCZMSQUPGQC-QWHCGFSZSA-N 0 0 378.416 2.833 10 0 GFAERN Cc1cc(N2CCC[C@H](NCc3cc(Br)ccc3F)C2=O)n(C)n1 ZINC000173849293 552094422 /nfs/dbraw/zinc/09/44/22/552094422.db2.gz GBAXCDZIFASFHL-HNNXBMFYSA-N 0 0 395.276 2.915 10 0 GFAERN C[C@H]1CN([C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)CCO1 ZINC000175224348 552118403 /nfs/dbraw/zinc/11/84/03/552118403.db2.gz GZORVWWMQYOXTF-BBRMVZONSA-N 0 0 384.498 2.628 10 0 GFAERN COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000175378921 552120630 /nfs/dbraw/zinc/12/06/30/552120630.db2.gz CVIAEOVFNIEHKS-ZDUSSCGKSA-N 0 0 384.454 2.985 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1ccc(F)c(Br)c1 ZINC000175702462 552127220 /nfs/dbraw/zinc/12/72/20/552127220.db2.gz NVOOHVUXICALMI-CQSZACIVSA-N 0 0 396.264 2.865 10 0 GFAERN O=C(c1occc1Br)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000176008939 552134399 /nfs/dbraw/zinc/13/43/99/552134399.db2.gz CGCNYIYPGQVKFD-HNNXBMFYSA-N 0 0 379.254 2.534 10 0 GFAERN CCc1nc(CC(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)cs1 ZINC000176570759 552142043 /nfs/dbraw/zinc/14/20/43/552142043.db2.gz FOKVYLOEDPKSGG-OAHLLOKOSA-N 0 0 379.551 2.808 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCc2ccc(Br)cc21 ZINC000176802063 552146179 /nfs/dbraw/zinc/14/61/79/552146179.db2.gz HFKMGDBBHHBODN-CYBMUJFWSA-N 0 0 376.258 2.956 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3cc(Br)ccc3C)CCO2)[nH]1 ZINC000177027686 552150138 /nfs/dbraw/zinc/15/01/38/552150138.db2.gz DNURBFIOQDCQLI-CYBMUJFWSA-N 0 0 380.246 2.789 10 0 GFAERN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000177168389 552151301 /nfs/dbraw/zinc/15/13/01/552151301.db2.gz XDYTVWSFVNIBPI-LSDHHAIUSA-N 0 0 399.285 2.595 10 0 GFAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3Br)C2)c1 ZINC000177674044 552156694 /nfs/dbraw/zinc/15/66/94/552156694.db2.gz LXHBRBCHUZDPAY-CYBMUJFWSA-N 0 0 391.269 2.756 10 0 GFAERN O=C(N[C@@H]1CCOc2ccccc21)c1cncc(I)c1 ZINC000179122102 552184810 /nfs/dbraw/zinc/18/48/10/552184810.db2.gz ISIWPFLJNMHSRL-CYBMUJFWSA-N 0 0 380.185 2.940 10 0 GFAERN CS(=O)(=O)c1ccc(C(=O)N[C@H]2COc3ccccc32)cc1Br ZINC000179486826 552194708 /nfs/dbraw/zinc/19/47/08/552194708.db2.gz MKBWMNSCEAICGW-ZDUSSCGKSA-N 0 0 396.262 2.716 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1)C(C)C ZINC000179775441 552202643 /nfs/dbraw/zinc/20/26/43/552202643.db2.gz CXLBXXSSTPQDTC-OAHLLOKOSA-N 0 0 383.279 2.988 10 0 GFAERN CN(CCS(C)(=O)=O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180708330 552233564 /nfs/dbraw/zinc/23/35/64/552233564.db2.gz JNIHBKNHUACLDK-CQSZACIVSA-N 0 0 378.416 2.843 10 0 GFAERN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180967606 552242026 /nfs/dbraw/zinc/24/20/26/552242026.db2.gz AQAKBBYGRZTXHP-LBPRGKRZSA-N 0 0 389.308 2.827 10 0 GFAERN C[C@H]1CN(C(=O)CCc2cc(F)ccc2Br)C[C@H]1N1CCOCC1 ZINC000182484239 552285648 /nfs/dbraw/zinc/28/56/48/552285648.db2.gz QJTJGXSUKCUVGO-SUMWQHHRSA-N 0 0 399.304 2.700 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)c2nccn2-c2cccc(Cl)c2)n1C ZINC000183519031 552311936 /nfs/dbraw/zinc/31/19/36/552311936.db2.gz OGAMHGGIAQHQRE-UHFFFAOYSA-N 0 0 379.873 2.752 10 0 GFAERN COc1cc(Br)c(F)cc1S(=O)(=O)N1CCS[C@@H](C)C1 ZINC000183647235 552315957 /nfs/dbraw/zinc/31/59/57/552315957.db2.gz DQORNIZNLUHYOH-QMMMGPOBSA-N 0 0 384.292 2.723 10 0 GFAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000183746143 552318605 /nfs/dbraw/zinc/31/86/05/552318605.db2.gz GNCXSUFRURVYOP-ZDUSSCGKSA-N 0 0 392.264 2.588 10 0 GFAERN COC(=O)c1sccc1NC(=O)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000184408710 552335049 /nfs/dbraw/zinc/33/50/49/552335049.db2.gz LRZKIRIQWKDPCC-LBPRGKRZSA-N 0 0 378.837 2.930 10 0 GFAERN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000184907560 552347501 /nfs/dbraw/zinc/34/75/01/552347501.db2.gz SXLXPSIVJFUFFS-NOZJJQNGSA-N 0 0 378.778 2.965 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)nc2Cl)C12CCOCC2 ZINC000185148610 552355436 /nfs/dbraw/zinc/35/54/36/552355436.db2.gz CKVFLYASBIQQEA-VXGBXAGGSA-N 0 0 395.308 2.641 10 0 GFAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2cccc(Br)c2C1 ZINC000185258396 552358545 /nfs/dbraw/zinc/35/85/45/552358545.db2.gz PGUWATXXNCVJRZ-MRXNPFEDSA-N 0 0 388.265 2.571 10 0 GFAERN Cc1ccc(CCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(Br)c1 ZINC000185557039 552365855 /nfs/dbraw/zinc/36/58/55/552365855.db2.gz HGHXYFOXKVQGTO-YJBOKZPZSA-N 0 0 395.341 2.869 10 0 GFAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186628602 552393118 /nfs/dbraw/zinc/39/31/18/552393118.db2.gz HXVOGYKJDMDCRM-NSHDSACASA-N 0 0 389.279 2.768 10 0 GFAERN Cc1ccc(Br)cc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000186665201 552393966 /nfs/dbraw/zinc/39/39/66/552393966.db2.gz ASLXNXAYUNCQBU-CQSZACIVSA-N 0 0 383.286 2.769 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000186833218 552399181 /nfs/dbraw/zinc/39/91/81/552399181.db2.gz LIEBMHDFSVPVOV-CYBMUJFWSA-N 0 0 392.253 2.850 10 0 GFAERN COCCN(C(=O)C1CCC(C(=O)OC)CC1)c1cccc(Br)n1 ZINC000187226063 552409939 /nfs/dbraw/zinc/40/99/39/552409939.db2.gz NLJRRQFUQJNKHT-UHFFFAOYSA-N 0 0 399.285 2.803 10 0 GFAERN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187610932 552420496 /nfs/dbraw/zinc/42/04/96/552420496.db2.gz IJEGKAXLCDYJID-SNPRPXQTSA-N 0 0 376.444 2.557 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Br)ncc1Cl ZINC000187625831 552420969 /nfs/dbraw/zinc/42/09/69/552420969.db2.gz JFBYGMRTLHGZPO-JTQLQIEISA-N 0 0 384.665 2.916 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(Br)cc2OC)C1 ZINC000187855372 552426571 /nfs/dbraw/zinc/42/65/71/552426571.db2.gz LJSCONKSEBQBHN-GFCCVEGCSA-N 0 0 385.258 2.552 10 0 GFAERN Cc1ccc(Br)nc1C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000187936805 552428447 /nfs/dbraw/zinc/42/84/47/552428447.db2.gz IMCBDFPXZYOVIG-CYBMUJFWSA-N 0 0 390.285 2.684 10 0 GFAERN Cc1ccc(CC(=O)N2CCC[C@H](Cn3cncn3)C2)cc1Br ZINC000188089598 552434563 /nfs/dbraw/zinc/43/45/63/552434563.db2.gz WLMPOOKWENJIEL-HNNXBMFYSA-N 0 0 377.286 2.830 10 0 GFAERN Cc1csc(C(=O)N[C@@H]2CCCn3ncnc32)c1I ZINC000188285579 552441213 /nfs/dbraw/zinc/44/12/13/552441213.db2.gz NUAAZECECNZEKV-MRVPVSSYSA-N 0 0 388.234 2.518 10 0 GFAERN O=S(=O)(c1ccc(F)cc1Cl)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188877640 552457363 /nfs/dbraw/zinc/45/73/63/552457363.db2.gz UUQKAYUTXDCMIX-AAEUAGOBSA-N 0 0 375.874 2.937 10 0 GFAERN CC(C)[C@H](NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)C(N)=O ZINC000189455931 552472057 /nfs/dbraw/zinc/47/20/57/552472057.db2.gz XMHTVCHVOHJDOA-AWEZNQCLSA-N 0 0 384.267 2.870 10 0 GFAERN C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@H]1N1CCOCC1 ZINC000189935274 552483475 /nfs/dbraw/zinc/48/34/75/552483475.db2.gz ULKFFYIUVVNCOU-DGCLKSJQSA-N 0 0 380.901 2.584 10 0 GFAERN Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cc(C)c1Br ZINC000190541950 552500437 /nfs/dbraw/zinc/50/04/37/552500437.db2.gz XITPVCZKJXCFQW-JSGCOSHPSA-N 0 0 383.286 2.672 10 0 GFAERN CCn1cc([C@@H]2CN(CC(=O)N(C)Cc3ccc(Cl)s3)CCO2)cn1 ZINC000190759394 552508059 /nfs/dbraw/zinc/50/80/59/552508059.db2.gz UPOCZLQTBQFNGP-HNNXBMFYSA-N 0 0 382.917 2.650 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3nc(Br)ccc3C)CCO2)n1 ZINC000191518131 552530173 /nfs/dbraw/zinc/53/01/73/552530173.db2.gz RKTRJUVQSRDDKV-CQSZACIVSA-N 0 0 393.285 2.507 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC(C)(C)c1ccccc1Br ZINC000191505294 552530264 /nfs/dbraw/zinc/53/02/64/552530264.db2.gz MTSOQQWHAIGHFR-GFCCVEGCSA-N 0 0 382.302 2.647 10 0 GFAERN COC(=O)CN(Cc1nnc(C2CC2)n1C)Cc1cccc(Br)c1 ZINC000191613847 552533636 /nfs/dbraw/zinc/53/36/36/552533636.db2.gz XESWGCVVEONIOU-UHFFFAOYSA-N 0 0 393.285 2.630 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Cc3ccccc3Br)CCO2)cn1 ZINC000191719425 552536052 /nfs/dbraw/zinc/53/60/52/552536052.db2.gz VDESCLHVYMCUDB-INIZCTEOSA-N 0 0 378.270 2.808 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)c3[nH]nc(C(C)C)c3Br)CCO2)cn1 ZINC000191775234 552537528 /nfs/dbraw/zinc/53/75/28/552537528.db2.gz SPSIJZJAFGAOJR-GFCCVEGCSA-N 0 0 396.289 2.726 10 0 GFAERN CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCN1C[C@@H](C)O ZINC000192137929 552552707 /nfs/dbraw/zinc/55/27/07/552552707.db2.gz SSKHZAPHKHRPES-MNOVXSKESA-N 0 0 391.256 2.645 10 0 GFAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(Cl)c(Br)c1 ZINC000192223922 552556893 /nfs/dbraw/zinc/55/68/93/552556893.db2.gz QPSRNLDCPASGIA-LLVKDONJSA-N 0 0 391.678 2.507 10 0 GFAERN O=C(Nc1c(F)cc(F)cc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000192286555 552558498 /nfs/dbraw/zinc/55/84/98/552558498.db2.gz ISRYZQSBGLPQHK-LLVKDONJSA-N 0 0 390.228 2.666 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(Br)cn1)c1ccc(F)c(F)c1 ZINC000192829279 552975036 /nfs/dbraw/zinc/97/50/36/552975036.db2.gz VOJCEDDDCMDXFO-QMMMGPOBSA-N 0 0 384.180 2.938 10 0 GFAERN CCCCOC[C@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000193371526 552991601 /nfs/dbraw/zinc/99/16/01/552991601.db2.gz YVBCQVHUKZRUEW-OAHLLOKOSA-N 0 0 389.323 2.929 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3ccc(Cl)nc3Cl)CCO2)n1 ZINC000193948816 553007526 /nfs/dbraw/zinc/00/75/26/553007526.db2.gz XEKWQKUKAUIDCH-SECBINFHSA-N 0 0 394.305 2.916 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)nc3Cl)CCO2)n1 ZINC000193948804 553007730 /nfs/dbraw/zinc/00/77/30/553007730.db2.gz XEKWQKUKAUIDCH-VIFPVBQESA-N 0 0 394.305 2.916 10 0 GFAERN CCC(=O)c1cccc(S(=O)(=O)N2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000193953155 553007824 /nfs/dbraw/zinc/00/78/24/553007824.db2.gz AYTSQPXNRJKTQJ-INIZCTEOSA-N 0 0 380.491 2.806 10 0 GFAERN CC(C)(C)c1csc([C@H]2CN(S(=O)(=O)CC3CCOCC3)CCO2)n1 ZINC000193954424 553008257 /nfs/dbraw/zinc/00/82/57/553008257.db2.gz NHUROZUZOUQAGH-CQSZACIVSA-N 0 0 388.555 2.570 10 0 GFAERN COC(=O)C[C@H](NC(=O)Nc1ccncn1)c1cccc(Br)c1 ZINC000194092038 553011502 /nfs/dbraw/zinc/01/15/02/553011502.db2.gz GCICZXYWAYJEQV-LBPRGKRZSA-N 0 0 379.214 2.665 10 0 GFAERN CC(C)c1nnc(Cn2c(=O)onc2-c2cccc(Br)c2)n1C ZINC000194702694 553027488 /nfs/dbraw/zinc/02/74/88/553027488.db2.gz MDEMVGUOQOCOMS-UHFFFAOYSA-N 0 0 378.230 2.566 10 0 GFAERN O=C(CCn1c(=S)[nH]nc1-c1cccs1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195320247 553045047 /nfs/dbraw/zinc/04/50/47/553045047.db2.gz LVPIXXPQHWQAKV-CYBMUJFWSA-N 0 0 377.539 2.756 10 0 GFAERN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@H]1CNC(=O)C1 ZINC000195393464 553047095 /nfs/dbraw/zinc/04/70/95/553047095.db2.gz JJNWZKQOXBKREF-SNVBAGLBSA-N 0 0 376.210 2.711 10 0 GFAERN CN(C(=O)CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1)c1nccs1 ZINC000195401794 553047115 /nfs/dbraw/zinc/04/71/15/553047115.db2.gz HKQCQXCEPGMOKN-GFCCVEGCSA-N 0 0 380.539 2.933 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(Br)cc1O)CC2 ZINC000195405225 553047914 /nfs/dbraw/zinc/04/79/14/553047914.db2.gz XVEBBMDMZNMWDJ-NSHDSACASA-N 0 0 379.258 2.614 10 0 GFAERN O=C(c1ccc(I)c(Cl)c1)N1CCn2ccnc2C1 ZINC000226791503 553062186 /nfs/dbraw/zinc/06/21/86/553062186.db2.gz LAPWXKDFRFRMFS-UHFFFAOYSA-N 0 0 387.608 2.797 10 0 GFAERN CC(C)(C)OC(=O)N1CCN(c2nc(Br)cn3ccnc23)CC1 ZINC000230021925 553064337 /nfs/dbraw/zinc/06/43/37/553064337.db2.gz BEQQGYXKKHIGRM-UHFFFAOYSA-N 0 0 382.262 2.549 10 0 GFAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)cc1Cl ZINC000245889383 553099306 /nfs/dbraw/zinc/09/93/06/553099306.db2.gz FGXQRFOPMVESDP-CABCVRRESA-N 0 0 390.864 2.770 10 0 GFAERN O[C@H](COc1ccc(Br)cc1)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000248523252 553130535 /nfs/dbraw/zinc/13/05/35/553130535.db2.gz BZYFSMPDHYTPKF-ZFWWWQNUSA-N 0 0 381.274 2.534 10 0 GFAERN Cn1cc([C@@H]2CSCCN2C[C@@H](O)COCc2ccc(Cl)cc2)cn1 ZINC000248706587 553133384 /nfs/dbraw/zinc/13/33/84/553133384.db2.gz HJECLYJBYQSUSE-MSOLQXFVSA-N 0 0 381.929 2.741 10 0 GFAERN O=C1[C@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000249032570 553137914 /nfs/dbraw/zinc/13/79/14/553137914.db2.gz FLSKVZOUUKPXIR-RHSMWYFYSA-N 0 0 384.307 2.505 10 0 GFAERN C[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1sccc1Br ZINC000252662270 553150162 /nfs/dbraw/zinc/15/01/62/553150162.db2.gz WZAOPTNSWYYOMY-MNOVXSKESA-N 0 0 379.345 2.758 10 0 GFAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000373057480 563326875 /nfs/dbraw/zinc/32/68/75/563326875.db2.gz KNYKFOAWCSKVNK-NEPJUHHUSA-N 0 0 380.436 2.727 10 0 GFAERN OC[C@H]1CCCN1c1cc(NCCc2ccc(F)c(Br)c2)ncn1 ZINC000301230508 563397151 /nfs/dbraw/zinc/39/71/51/563397151.db2.gz HGYLKPFNSWVFSB-CYBMUJFWSA-N 0 0 395.276 2.994 10 0 GFAERN CSc1nc2ncnc(N3CCC[C@H](C(=O)NCC(F)(F)F)C3)c2s1 ZINC000301475327 563404182 /nfs/dbraw/zinc/40/41/82/563404182.db2.gz SBRBOTXNHAXWLL-QMMMGPOBSA-N 0 0 391.444 2.703 10 0 GFAERN COc1cc(OC)cc(N2CC[C@H](N(C)c3ncc(Br)cn3)C2)c1 ZINC000301484928 563405221 /nfs/dbraw/zinc/40/52/21/563405221.db2.gz GVZZXDMSAUHZPD-ZDUSSCGKSA-N 0 0 393.285 2.971 10 0 GFAERN Cn1ncc(N2CC[C@H](Oc3cccc(Cl)c3)C2)c(Br)c1=O ZINC000301849849 563413889 /nfs/dbraw/zinc/41/38/89/563413889.db2.gz WFDLCFMJPMSTHP-LBPRGKRZSA-N 0 0 384.661 2.854 10 0 GFAERN Nc1ccc2c(ncnc2NCCNC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000301891660 563415295 /nfs/dbraw/zinc/41/52/95/563415295.db2.gz VCIKUZBHJISQRD-UHFFFAOYSA-N 0 0 377.235 2.756 10 0 GFAERN CC(C)c1nc(Oc2ccc(I)nc2)nc(N(C)C)n1 ZINC000301966181 563417425 /nfs/dbraw/zinc/41/74/25/563417425.db2.gz OJTPRQUQCIJTBJ-UHFFFAOYSA-N 0 0 385.209 2.853 10 0 GFAERN CN(C)c1ccc(N[C@H]2CCCN(C(=O)[C@@H]3CSCCS3)CC2)cn1 ZINC000328633734 563461767 /nfs/dbraw/zinc/46/17/67/563461767.db2.gz MGBQDXDFERSSGN-HOCLYGCPSA-N 0 0 380.583 2.789 10 0 GFAERN CS(=O)(=O)c1cc(NC(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)ccc1Cl ZINC000574046535 564666224 /nfs/dbraw/zinc/66/62/24/564666224.db2.gz MGSIMWLIRUUYTA-TZMCWYRMSA-N 0 0 384.885 2.776 10 0 GFAERN CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000011936818 570449417 /nfs/dbraw/zinc/44/94/17/570449417.db2.gz YXXJWIIBAMDOPK-GOSISDBHSA-N 0 0 380.492 2.810 10 0 GFAERN CCOC(=O)C1=C(CN2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cccs1 ZINC000036163044 570556440 /nfs/dbraw/zinc/55/64/40/570556440.db2.gz LECIUTHXGDWWNW-AHIWAGSCSA-N 0 0 377.510 2.897 10 0 GFAERN CC(C)(C)c1ccc(S(=O)(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)s1 ZINC000275390528 570692399 /nfs/dbraw/zinc/69/23/99/570692399.db2.gz ZMOKHRWVSOTTJQ-QGZVFWFLSA-N 0 0 397.522 2.588 10 0 GFAERN COc1ccc2c(c1)[C@@]1(CCN(C(=O)NCc3ccc(C)cc3)C1)C(=O)N2C ZINC000065249487 570748451 /nfs/dbraw/zinc/74/84/51/570748451.db2.gz LZBODJRBQYXJCL-QFIPXVFZSA-N 0 0 379.460 2.833 10 0 GFAERN CC(C)OC[C@H](O)CN(C)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 ZINC000253610399 570889775 /nfs/dbraw/zinc/88/97/75/570889775.db2.gz GFWYLQHQLZBJMJ-QWHCGFSZSA-N 0 0 379.526 2.739 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)[C@@H]1CCO[C@@H]1C)CC2 ZINC000547697769 570904111 /nfs/dbraw/zinc/90/41/11/570904111.db2.gz USQSPJJVXMYVOU-ZTFGCOKTSA-N 0 0 376.522 2.903 10 0 GFAERN O=C(NCCc1ccncc1)[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272922 570933098 /nfs/dbraw/zinc/93/30/98/570933098.db2.gz QEJQJFYPKYDJQX-MRXNPFEDSA-N 0 0 383.517 2.843 10 0 GFAERN [NH3+][C@H](Cc1ccc(Oc2ccc(O)cc2)c(I)c1)C(=O)[O-] ZINC000006093098 574412731 /nfs/dbraw/zinc/41/27/31/574412731.db2.gz SXQVOFSDWXYIRP-CYBMUJFWSA-N 0 0 399.184 2.744 10 0 endogenous,in-man GFAERN O=C(CN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc(F)cc1Br ZINC000044672708 654662006 /nfs/dbraw/zinc/66/20/06/654662006.db2.gz RXXMVEJPPDVXOE-UHFFFAOYSA-N 0 0 399.216 2.748 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1)c1cccs1 ZINC000048881416 654713356 /nfs/dbraw/zinc/71/33/56/654713356.db2.gz HZSWZJDNWVYZIG-JTQLQIEISA-N 0 0 375.841 2.798 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCS1 ZINC000122878007 654745671 /nfs/dbraw/zinc/74/56/71/654745671.db2.gz CKQYJIOGYIRVAW-SSDOTTSWSA-N 0 0 379.226 2.630 10 0 GFAERN O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123255912 654754263 /nfs/dbraw/zinc/75/42/63/654754263.db2.gz XKYQALUAVIWGPQ-GTNSWQLSSA-N 0 0 399.260 2.680 10 0 GFAERN O=S(=O)(c1ccc(Cl)nc1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000128703508 654851296 /nfs/dbraw/zinc/85/12/96/654851296.db2.gz PNJPQTRADWMOQA-CYBMUJFWSA-N 0 0 381.889 2.579 10 0 GFAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1c(F)cccc1Cl ZINC000132653666 654944944 /nfs/dbraw/zinc/94/49/44/654944944.db2.gz GWEBGNDMSVEQAD-LBPRGKRZSA-N 0 0 384.864 2.559 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(C)nc3Br)CCO2)n1 ZINC000133210267 654956771 /nfs/dbraw/zinc/95/67/71/654956771.db2.gz XBGDLJMYYYRBKJ-CQSZACIVSA-N 0 0 393.285 2.507 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3ccc(C)nc3Br)CC2)s1 ZINC000133257825 654958265 /nfs/dbraw/zinc/95/82/65/654958265.db2.gz FMGXEAKFQCJOGS-UHFFFAOYSA-N 0 0 395.326 2.875 10 0 GFAERN C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@@H](C)c1ccccc1Br ZINC000134598809 654997153 /nfs/dbraw/zinc/99/71/53/654997153.db2.gz GUVHYWHICAFNLZ-QWRGUYRKSA-N 0 0 377.304 2.633 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)c1ccc(Cl)s1 ZINC000071017179 654998232 /nfs/dbraw/zinc/99/82/32/654998232.db2.gz WTPKRLSEKLQJIR-JTQLQIEISA-N 0 0 375.841 2.798 10 0 GFAERN C[C@@H](NC(=O)c1cccc(I)c1)c1nnc2n1CCCC2 ZINC000135252294 655012696 /nfs/dbraw/zinc/01/26/96/655012696.db2.gz RBIBJPJJQJOYGJ-SNVBAGLBSA-N 0 0 396.232 2.710 10 0 GFAERN C[C@@H](NC(=O)COc1ccc(Br)cc1F)c1nnc2n1CCCC2 ZINC000135253891 655012768 /nfs/dbraw/zinc/01/27/68/655012768.db2.gz BJCHCKLKCBVAOH-SNVBAGLBSA-N 0 0 397.248 2.772 10 0 GFAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000096998443 655033129 /nfs/dbraw/zinc/03/31/29/655033129.db2.gz JDLSIZGPRIJXRM-HOTGVXAUSA-N 0 0 376.881 2.799 10 0 GFAERN CCCCc1nnc(NC(=O)CN2CCO[C@H](c3nc(C)cs3)C2)s1 ZINC000136937353 655036781 /nfs/dbraw/zinc/03/67/81/655036781.db2.gz DKGKAYIJZNFVLT-LBPRGKRZSA-N 0 0 381.527 2.658 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000101565500 655043989 /nfs/dbraw/zinc/04/39/89/655043989.db2.gz UAVLZBPHYVUWOW-HNNXBMFYSA-N 0 0 382.302 2.768 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000102102620 655051161 /nfs/dbraw/zinc/05/11/61/655051161.db2.gz SLDLTYVPJMRGFU-GFCCVEGCSA-N 0 0 386.279 2.839 10 0 GFAERN CC[C@@H](c1nn(CN2CCS(=O)(=O)[C@H](C)C2)c(=S)o1)c1ccccc1 ZINC000151569934 655052688 /nfs/dbraw/zinc/05/26/88/655052688.db2.gz GGBPECPQSDRNJV-UKRRQHHQSA-N 0 0 381.523 2.824 10 0 GFAERN C[C@H](C(=O)Oc1ccc(F)cc1Br)N1C(=O)NC2(CCCC2)C1=O ZINC000102324345 655053713 /nfs/dbraw/zinc/05/37/13/655053713.db2.gz ISOVLAGSNMVSEG-SECBINFHSA-N 0 0 399.216 2.747 10 0 GFAERN S=c1n(CN2CCO[C@H](c3nccs3)C2)nnn1-c1ccc(Cl)cc1 ZINC000152270593 655057564 /nfs/dbraw/zinc/05/75/64/655057564.db2.gz YXGNULCYHRZPTO-ZDUSSCGKSA-N 0 0 394.913 2.939 10 0 GFAERN Cc1ccsc1-c1nn(CN2CCO[C@H](Cn3cccn3)C2)c(=S)o1 ZINC000152846048 655062526 /nfs/dbraw/zinc/06/25/26/655062526.db2.gz YGRZKHUGDRKLIF-ZDUSSCGKSA-N 0 0 377.495 2.798 10 0 GFAERN CCCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)cn1 ZINC000152912305 655062767 /nfs/dbraw/zinc/06/27/67/655062767.db2.gz DJNQVFPCOKSNAH-NSHDSACASA-N 0 0 379.258 2.872 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)NCCCCSC)CC1 ZINC000153620321 655068721 /nfs/dbraw/zinc/06/87/21/655068721.db2.gz UJOZREYUOYVBQE-UHFFFAOYSA-N 0 0 387.981 2.606 10 0 GFAERN CN(c1cccnn1)C1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000106084810 655102002 /nfs/dbraw/zinc/10/20/02/655102002.db2.gz JBYHQJAHFROBSW-QGZVFWFLSA-N 0 0 391.313 2.873 10 0 GFAERN C[C@@H]1CN(CCCNc2ccccc2S(=O)(=O)C(F)(F)F)C[C@H](C)O1 ZINC000106087838 655102085 /nfs/dbraw/zinc/10/20/85/655102085.db2.gz HUPHFIIUJUUOBF-BETUJISGSA-N 0 0 380.432 2.891 10 0 GFAERN CSc1cccc(NC(=O)CN2CCN(Cc3cnc(C)s3)CC2)c1 ZINC000106091727 655102256 /nfs/dbraw/zinc/10/22/56/655102256.db2.gz LWEWWFLEHQUFKZ-UHFFFAOYSA-N 0 0 376.551 2.930 10 0 GFAERN CCOCCN1CCN([C@@H](C)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000106111283 655103135 /nfs/dbraw/zinc/10/31/35/655103135.db2.gz ZHANUJVJODYNNE-GJZGRUSLSA-N 0 0 398.345 2.819 10 0 GFAERN O=C(CCN1CCO[C@H](Cn2cccn2)C1)Nc1cc(Cl)ccc1Cl ZINC000106191032 655104736 /nfs/dbraw/zinc/10/47/36/655104736.db2.gz QRWSXTKFQNSQHN-AWEZNQCLSA-N 0 0 383.279 2.920 10 0 GFAERN Cc1cnn(C[C@H]2CN(Cc3cc4c(cc3Br)OCO4)CCO2)c1 ZINC000106197342 655104748 /nfs/dbraw/zinc/10/47/48/655104748.db2.gz GBLWKLWKNSNASH-CQSZACIVSA-N 0 0 394.269 2.584 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C[C@H](O)c3cccc(Br)c3)CCO2)n1 ZINC000106202529 655104915 /nfs/dbraw/zinc/10/49/15/655104915.db2.gz RYLCPQOAGHEPDK-MSOLQXFVSA-N 0 0 394.313 2.697 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000106397267 655107721 /nfs/dbraw/zinc/10/77/21/655107721.db2.gz CSCZFVOLPOXBEW-HNNXBMFYSA-N 0 0 379.913 2.992 10 0 GFAERN CN1CCO[C@H](CNC(=O)CCCSc2ccc(Br)cc2)C1 ZINC000108263571 655130217 /nfs/dbraw/zinc/13/02/17/655130217.db2.gz UPQRUBMRWJYLIL-CQSZACIVSA-N 0 0 387.343 2.768 10 0 GFAERN Cc1csc([C@H]2CN(CN3C(=O)C(=O)c4c3cccc4Cl)CCO2)n1 ZINC000170638326 655144610 /nfs/dbraw/zinc/14/46/10/655144610.db2.gz BGNKLDVKKFNLTE-CYBMUJFWSA-N 0 0 377.853 2.665 10 0 GFAERN O=C(CCc1nc(-c2cccs2)no1)N1CCO[C@H](c2nccs2)C1 ZINC000110884578 655160984 /nfs/dbraw/zinc/16/09/84/655160984.db2.gz IJYWTDDUUFUGNC-NSHDSACASA-N 0 0 376.463 2.787 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)CCc3cc(Br)cs3)CCO2)c1 ZINC000112063178 655181595 /nfs/dbraw/zinc/18/15/95/655181595.db2.gz XHEJESKQDPWFGQ-AWEZNQCLSA-N 0 0 398.326 2.876 10 0 GFAERN C[C@@H](CCc1ccc(Br)cc1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112745563 655197105 /nfs/dbraw/zinc/19/71/05/655197105.db2.gz LZXJRTIPOBXTNV-SWLSCSKDSA-N 0 0 392.301 2.676 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000113369172 655208742 /nfs/dbraw/zinc/20/87/42/655208742.db2.gz UWTZTSMKPZKDEA-NEPJUHHUSA-N 0 0 391.331 2.975 10 0 GFAERN Cc1cc(N2CCC[C@@H](NC(=O)CCc3ccc(Cl)s3)C2=O)n(C)n1 ZINC000174991407 655211744 /nfs/dbraw/zinc/21/17/44/655211744.db2.gz HMDWGKHWXSGKDU-CYBMUJFWSA-N 0 0 380.901 2.688 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1c(-c2cccs2)n[nH]c1=S ZINC000175745530 655226522 /nfs/dbraw/zinc/22/65/22/655226522.db2.gz MZYOPQPZQNKTQY-SNVBAGLBSA-N 0 0 382.511 2.858 10 0 GFAERN COc1ccc(Br)c(NC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000175835362 655227528 /nfs/dbraw/zinc/22/75/28/655227528.db2.gz FZGAXTPYAAPMFY-LLVKDONJSA-N 0 0 380.246 2.918 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CCS1 ZINC000175995379 655231503 /nfs/dbraw/zinc/23/15/03/655231503.db2.gz GSDRBFGTJQNPCM-NSHDSACASA-N 0 0 390.958 2.994 10 0 GFAERN O=C(CCc1ccc(Br)cc1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000176411215 655244355 /nfs/dbraw/zinc/24/43/55/655244355.db2.gz UTPKRQPMSWRFGY-MRXNPFEDSA-N 0 0 389.297 2.957 10 0 GFAERN O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC[C@H]1c1ccco1 ZINC000116453550 655247843 /nfs/dbraw/zinc/24/78/43/655247843.db2.gz SJXHFIQWJMNIBV-AWEZNQCLSA-N 0 0 382.869 2.965 10 0 GFAERN C[C@H](OC(=O)c1ccc(CNS(C)(=O)=O)o1)c1nc2ccccc2s1 ZINC000176684757 655252034 /nfs/dbraw/zinc/25/20/34/655252034.db2.gz SXVLWUOFSGLGGR-JTQLQIEISA-N 0 0 380.447 2.857 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(SC(F)(F)F)cc1 ZINC000176749401 655254917 /nfs/dbraw/zinc/25/49/17/655254917.db2.gz IRVQPPOFJGJRKH-NSHDSACASA-N 0 0 378.401 2.703 10 0 GFAERN CCOCCN1CCN(C(=O)c2cccnc2SC(F)(F)F)C[C@@H]1C ZINC000117277233 655262885 /nfs/dbraw/zinc/26/28/85/655262885.db2.gz KCZHFGNOMXZCMI-LBPRGKRZSA-N 0 0 377.432 2.876 10 0 GFAERN COCCN1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@H]1C ZINC000117286031 655263308 /nfs/dbraw/zinc/26/33/08/655263308.db2.gz VJWFPTVQKCRRNB-LLVKDONJSA-N 0 0 375.694 2.895 10 0 GFAERN COCCN1CCN(C(=O)c2[nH]c3ccccc3c2Br)C[C@H]1C ZINC000117289091 655263325 /nfs/dbraw/zinc/26/33/25/655263325.db2.gz GTZCCSKAFFVQBN-GFCCVEGCSA-N 0 0 380.286 2.723 10 0 GFAERN CC[C@@H]1CN(C(=O)c2ccc(Br)cc2OC)CCN1CCOC ZINC000117306017 655263481 /nfs/dbraw/zinc/26/34/81/655263481.db2.gz ODUJPTZBXHTGFZ-CQSZACIVSA-N 0 0 385.302 2.641 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cccc(Br)c3C)CCO2)[nH]1 ZINC000177069187 655266877 /nfs/dbraw/zinc/26/68/77/655266877.db2.gz UTKVVITZVLQTOO-ZDUSSCGKSA-N 0 0 380.246 2.789 10 0 GFAERN COc1ccc([C@H](C)NC(=O)N[C@@H]2CCCn3ncnc32)cc1Br ZINC000177373280 655274358 /nfs/dbraw/zinc/27/43/58/655274358.db2.gz VCGURYSSJUAGCZ-GXFFZTMASA-N 0 0 394.273 2.945 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000177588820 655282912 /nfs/dbraw/zinc/28/29/12/655282912.db2.gz WXSATSCKVYMIIE-LLVKDONJSA-N 0 0 394.896 2.818 10 0 GFAERN O=C(CCCOc1ccccc1Br)N[C@@H]1CCCn2ncnc21 ZINC000177591404 655283170 /nfs/dbraw/zinc/28/31/70/655283170.db2.gz TUBIGQKNBXTPLR-CYBMUJFWSA-N 0 0 379.258 2.851 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000177687372 655286141 /nfs/dbraw/zinc/28/61/41/655286141.db2.gz GTGMWYAVMRCHAU-NOZJJQNGSA-N 0 0 397.248 2.907 10 0 GFAERN C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1F ZINC000177968047 655293147 /nfs/dbraw/zinc/29/31/47/655293147.db2.gz HFDVDCBCUNVUQC-TVQRCGJNSA-N 0 0 394.262 2.616 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1c(Cl)ccc(F)c1Cl ZINC000119893172 655320102 /nfs/dbraw/zinc/32/01/02/655320102.db2.gz YAGLVOBYBVNQSV-SSDOTTSWSA-N 0 0 394.255 2.609 10 0 GFAERN COC(=O)C[C@@H](NC(=O)NC[C@]1(C)CCCO1)c1cccc(Br)c1 ZINC000120495337 655337201 /nfs/dbraw/zinc/33/72/01/655337201.db2.gz OTCYXGYIZNATKA-PBHICJAKSA-N 0 0 399.285 2.922 10 0 GFAERN C=CCCOC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183527488 655352034 /nfs/dbraw/zinc/35/20/34/655352034.db2.gz BDAUKQSRYXSHCG-MRXNPFEDSA-N 0 0 377.487 2.983 10 0 GFAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)/C=C/c3cccc(Cl)c3)CCO2)c1 ZINC000184146021 655355297 /nfs/dbraw/zinc/35/52/97/655355297.db2.gz PUDUOWDFKABRFN-ZGRWHYIRSA-N 0 0 381.885 2.546 10 0 GFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cn3cc(Br)cn3)C[C@H]12 ZINC000184809787 655359711 /nfs/dbraw/zinc/35/97/11/655359711.db2.gz OHLKVMWYXMYCKT-KWCYVHTRSA-N 0 0 385.306 2.838 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000188201884 655378753 /nfs/dbraw/zinc/37/87/53/655378753.db2.gz LTMQXJPKMFRMPT-KUCQQTCKSA-N 0 0 388.283 2.777 10 0 GFAERN C[C@H]1C(=O)NCCCN1Cn1nc(-c2ccc(Br)cc2)oc1=S ZINC000190699029 655394245 /nfs/dbraw/zinc/39/42/45/655394245.db2.gz TWRUTNFEOFQTQS-JTQLQIEISA-N 0 0 397.298 2.803 10 0 GFAERN CCOC[C@H](C)OC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000190758644 655394673 /nfs/dbraw/zinc/39/46/73/655394673.db2.gz LBKWSPPXYYFCNQ-LBPRGKRZSA-N 0 0 393.299 2.971 10 0 GFAERN Cc1csc([C@H]2CN(Cn3ncn(CC(F)(F)F)c3=S)CCO2)n1 ZINC000195293787 655419764 /nfs/dbraw/zinc/41/97/64/655419764.db2.gz XRLZGPVKVLUZCP-SNVBAGLBSA-N 0 0 379.433 2.772 10 0 GFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000245198171 655427320 /nfs/dbraw/zinc/42/73/20/655427320.db2.gz DRTGFXIHRSXGID-MXWKQRLJSA-N 0 0 393.292 2.883 10 0 GFAERN C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CCO[C@@H]3CCCC[C@H]32)C1=O ZINC000245402315 655427537 /nfs/dbraw/zinc/42/75/37/655427537.db2.gz HRARDUSBDJWSMR-PSTGCABASA-N 0 0 383.901 2.769 10 0 GFAERN C[C@H]1CN(CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246081728 655428867 /nfs/dbraw/zinc/42/88/67/655428867.db2.gz DMRBTSVWNTWGBS-YVEFUNNKSA-N 0 0 397.338 2.861 10 0 GFAERN C[C@@H](OC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@H]1CCOC1 ZINC000246398342 655429932 /nfs/dbraw/zinc/42/99/32/655429932.db2.gz AEMTYJSDWHJLQA-AEJSXWLSSA-N 0 0 376.272 2.597 10 0 GFAERN Cc1ccnc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1Br ZINC000702859603 655521891 /nfs/dbraw/zinc/52/18/91/655521891.db2.gz PSWIAFJOPPTKMF-NEPJUHHUSA-N 0 0 386.290 2.792 10 0 GFAERN COc1cc(C(=O)CN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000019368853 210244761 /nfs/dbraw/zinc/24/47/61/210244761.db2.gz JWQMEGYQWJZJAO-UHFFFAOYSA-N 0 0 384.476 2.713 10 0 GFAERN Cc1nnsc1C(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1 ZINC000015064670 210145988 /nfs/dbraw/zinc/14/59/88/210145988.db2.gz KDWICXSLRDJSJC-UHFFFAOYSA-N 0 0 376.486 2.505 10 0 GFAERN CC(C)n1cc(C(=O)NCc2ccsc2)c(=O)c(C(=O)NC(C)(C)C)c1 ZINC000014995469 210140316 /nfs/dbraw/zinc/14/03/16/210140316.db2.gz DGWDBVJLQIIONE-UHFFFAOYSA-N 0 0 375.494 2.949 10 0 GFAERN O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000012199617 209919316 /nfs/dbraw/zinc/91/93/16/209919316.db2.gz GGILBANQRSNLCP-SFHVURJKSA-N 0 0 384.457 2.696 10 0 GFAERN CCc1nn(CC(=O)NCc2ccccc2)c(=O)c2cc3c(cccc3OC)n21 ZINC000006749808 209678158 /nfs/dbraw/zinc/67/81/58/209678158.db2.gz UXEIHSBEQAISHO-UHFFFAOYSA-N 0 0 390.443 2.537 10 0 GFAERN CCN1C[C@H](CCN2CCOCC2=O)C(c2ccccc2)(c2ccccc2)C1=O ZINC000005851938 209232428 /nfs/dbraw/zinc/23/24/28/209232428.db2.gz LLCHHQQQMSDZLP-NRFANRHFSA-N 0 0 392.499 2.700 10 0 GFAERN CC(C)OC(=O)N[C@@H](Cc1cn(C(C)C)cn1)C(=O)NCCc1ccccc1 ZINC000301054939 212041588 /nfs/dbraw/zinc/04/15/88/212041588.db2.gz QGZMZGFOWLGKHZ-IBGZPJMESA-N 0 0 386.496 2.869 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1ncnc3n[nH]cc31)CC2 ZINC000328639814 209152368 /nfs/dbraw/zinc/15/23/68/209152368.db2.gz PQCPTDQZGNTGMK-MRXNPFEDSA-N 0 0 382.493 2.822 10 0 GFAERN COc1cc(C(N)=O)cc(I)c1OC(=O)c1ccccc1 ZINC000226364482 211482350 /nfs/dbraw/zinc/48/23/50/211482350.db2.gz RXMRLVFCPUPOTA-UHFFFAOYSA-N 0 0 397.168 2.618 10 0 GFAERN Cc1[nH]c(C(=O)Nc2cccc(Cl)c2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000096320012 211333859 /nfs/dbraw/zinc/33/38/59/211333859.db2.gz YLDKNVWMWHYBTA-UHFFFAOYSA-N 0 0 397.884 2.558 10 0 GFAERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cccc2c1OCCO2 ZINC000095075229 211217655 /nfs/dbraw/zinc/21/76/55/211217655.db2.gz JXDQRMDVYBLIIQ-CQSZACIVSA-N 0 0 376.453 2.929 10 0 GFAERN CC(=O)c1c(=O)[nH]c2c(cccc2S(=O)(=O)c2ccccc2)c1[S@](C)=O ZINC000039140610 210758325 /nfs/dbraw/zinc/75/83/25/210758325.db2.gz JRTNDWPVLZURBX-RUZDIDTESA-N 0 0 389.454 2.713 10 0 GFAERN CC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NC2CC2)c1 ZINC000036218303 210714053 /nfs/dbraw/zinc/71/40/53/210714053.db2.gz MFCALRPEFHQRIK-VQTJNVASSA-N 0 0 393.443 2.986 10 0 GFAERN COc1ccccc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1C(=O)NCc1ccccc1 ZINC000036051626 210708310 /nfs/dbraw/zinc/70/83/10/210708310.db2.gz SYRACVQJQZUEEI-VQTJNVASSA-N 0 0 378.472 2.964 10 0 GFAERN CCCn1c2nnc(SCC(=O)N[C@H](C)CC)n2c2ccc(F)cc2c1=O ZINC000033255075 210632799 /nfs/dbraw/zinc/63/27/99/210632799.db2.gz AAJMCASNKNHMKR-LLVKDONJSA-N 0 0 391.472 2.600 10 0 GFAERN COc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2C)cc1 ZINC000032611768 210578892 /nfs/dbraw/zinc/57/88/92/210578892.db2.gz KVLFTICXFMGAQV-UHFFFAOYSA-N 0 0 398.444 2.950 10 0 GFAERN CN(Cc1ccc(-c2nc([C@H]3CCCO3)cc(=O)[nH]2)cc1)Cc1cnccn1 ZINC000023311354 210441049 /nfs/dbraw/zinc/44/10/49/210441049.db2.gz UQHVCTORUIHBTF-LJQANCHMSA-N 0 0 377.448 2.710 10 0 GFAERN COc1cc(CC(=O)N2CCO[C@@H](COc3ccc(C)cc3)C2)cc(OC)c1 ZINC000022348716 210410525 /nfs/dbraw/zinc/41/05/25/210410525.db2.gz SJCKKLQAOQOUHU-OAQYLSRUSA-N 0 0 385.460 2.861 10 0 GFAERN CCN1CCN(C(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C)CC1 ZINC000021537870 210385588 /nfs/dbraw/zinc/38/55/88/210385588.db2.gz CHPXWAWXEHTPKH-UHFFFAOYSA-N 0 0 381.455 2.930 10 0 GFAERN Nc1nnc(CCCNC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1 ZINC000020202076 210321089 /nfs/dbraw/zinc/32/10/89/210321089.db2.gz MXHLZZIPAMSTOY-UHFFFAOYSA-N 0 0 381.461 2.735 10 0 GFAERN COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1 ZINC000504624140 533140297 /nfs/dbraw/zinc/14/02/97/533140297.db2.gz KEXKZZSHCPPTLW-NJAFHUGGSA-N 0 0 390.480 2.729 10 0 GFAERN COc1cccc(C[C@@]2(CCC(=O)N[C@H](C)c3cn(C)nc3C)CCC(=O)N2)c1 ZINC000011840470 221130715 /nfs/dbraw/zinc/13/07/15/221130715.db2.gz LDMSJNYKORDQSC-IVZQSRNASA-N 0 0 398.507 2.586 10 0 GFAERN CCOc1cccc(CNC(=O)c2ccc3ncnc(N4CCOCC4)c3c2)c1 ZINC000065172904 136159916 /nfs/dbraw/zinc/15/99/16/136159916.db2.gz MAESGPPYTBBGME-UHFFFAOYSA-N 0 0 392.459 2.795 10 0 GFAERN COc1ccc(/C=C/C(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1OC ZINC000224301149 136206657 /nfs/dbraw/zinc/20/66/57/136206657.db2.gz WLNWGPCGPVJYQU-SOFGYWHQSA-N 0 0 398.463 2.599 10 0 GFAERN COc1ccc2[nH]c3c(c2c1)CN(C[C@@]1(O)CCCN(CC2CCC2)C1=O)CC3 ZINC000067588575 222148958 /nfs/dbraw/zinc/14/89/58/222148958.db2.gz WGIISBJACHDCBB-QHCPKHFHSA-N 0 0 397.519 2.688 10 0 GFAERN O=C([O-])C1CC[NH+](Cc2nnn(-c3ccc(F)cc3)c2-c2ccncc2)CC1 ZINC000057345176 527565573 /nfs/dbraw/zinc/56/55/73/527565573.db2.gz VKALDKWQCUWKCR-UHFFFAOYSA-N 0 0 381.411 2.765 10 0 GFAERN O=C([O-])C[NH+]1CCN(c2cc(-c3cccnc3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073685718 527611698 /nfs/dbraw/zinc/61/16/98/527611698.db2.gz SUDGKYOGLNVFRH-UHFFFAOYSA-N 0 0 393.422 2.551 10 0 GFAERN O=C([O-])COc1nc(NC2CC[NH+](Cc3ccccc3)CC2)nc2c1CCCC2 ZINC000073709089 527619471 /nfs/dbraw/zinc/61/94/71/527619471.db2.gz BMMMLJBHIZYIAF-UHFFFAOYSA-N 0 0 396.491 2.895 10 0 GFAERN COC(=O)C[C@H](NC(=O)NC[C@@H]1CCCOC1)c1cccc(Br)c1 ZINC000054819464 551170824 /nfs/dbraw/zinc/17/08/24/551170824.db2.gz RGKVDOHOAFALHG-WFASDCNBSA-N 0 0 399.285 2.779 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)NCCOc3ccc(Br)cc3)C2)cn1 ZINC000116425340 551213123 /nfs/dbraw/zinc/21/31/23/551213123.db2.gz OMCPUWLOQMUGHT-ZDUSSCGKSA-N 0 0 393.285 2.761 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)NCc3ccc(Cl)nc3)CC2)cs1 ZINC000116420188 551213169 /nfs/dbraw/zinc/21/31/69/551213169.db2.gz CQTMBZJXOXSOTH-UHFFFAOYSA-N 0 0 379.917 2.917 10 0 GFAERN Cc1ccc([C@H](C)NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)o1 ZINC000119438997 551216313 /nfs/dbraw/zinc/21/63/13/551216313.db2.gz XNAUARNPTOVNHT-LBPRGKRZSA-N 0 0 385.873 2.580 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000120973752 551223782 /nfs/dbraw/zinc/22/37/82/551223782.db2.gz QZVRQZGDZWMIGP-KBPBESRZSA-N 0 0 386.235 2.708 10 0 GFAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](n4cncn4)C3)s2)cs1 ZINC000121091713 551226734 /nfs/dbraw/zinc/22/67/34/551226734.db2.gz GJDWYMRKXSTNEY-LBPRGKRZSA-N 0 0 395.535 2.797 10 0 GFAERN O=C([C@H]1COc2ccc(Br)cc21)N1CCC[C@@H]1Cn1ccnc1 ZINC000121423189 551234188 /nfs/dbraw/zinc/23/41/88/551234188.db2.gz JVEZABYTMCIRAL-HIFRSBDPSA-N 0 0 376.254 2.813 10 0 GFAERN O=C(COc1ccccc1Br)N1CCO[C@@H](c2nccs2)C1 ZINC000121786955 551242754 /nfs/dbraw/zinc/24/27/54/551242754.db2.gz CVNDCEREDQZXKR-CYBMUJFWSA-N 0 0 383.267 2.885 10 0 GFAERN C[C@@H](C(=O)NC[C@@]1(C)CCCO1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000123901332 551309796 /nfs/dbraw/zinc/30/97/96/551309796.db2.gz FSJURMVGURSCML-HUTHGQBESA-N 0 0 385.247 2.663 10 0 GFAERN O=C(CCc1cccc(Br)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126886858 551333936 /nfs/dbraw/zinc/33/39/36/551333936.db2.gz TXDFCOZTEDSPGL-OAHLLOKOSA-N 0 0 377.286 2.912 10 0 GFAERN CCc1ncc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)cn1 ZINC000127508258 551341492 /nfs/dbraw/zinc/34/14/92/551341492.db2.gz XJHXACINGJCMGM-JTQLQIEISA-N 0 0 377.242 2.617 10 0 GFAERN CCc1ncc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)cn1 ZINC000127660956 551343105 /nfs/dbraw/zinc/34/31/05/551343105.db2.gz JRAONVKEDHNPCC-SNVBAGLBSA-N 0 0 377.242 2.617 10 0 GFAERN O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCCC[C@H]1c1nccs1 ZINC000134068700 551384962 /nfs/dbraw/zinc/38/49/62/551384962.db2.gz SIQCQVCCQWFXJG-HNNXBMFYSA-N 0 0 382.511 2.607 10 0 GFAERN Nc1c(-c2ccc(Cl)cc2Cl)nnn1Cc1ccc(S(N)(=O)=O)cc1 ZINC000143805557 551395734 /nfs/dbraw/zinc/39/57/34/551395734.db2.gz QFVMQDSFZXRNBJ-UHFFFAOYSA-N 0 0 398.275 2.530 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1cccc(Br)c1 ZINC000151227903 551409260 /nfs/dbraw/zinc/40/92/60/551409260.db2.gz LMRDXMWFRMMQHH-ZDUSSCGKSA-N 0 0 379.258 2.633 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(Br)cc1F ZINC000151269607 551410316 /nfs/dbraw/zinc/41/03/16/551410316.db2.gz JWZUYWBGQDRSAI-LBPRGKRZSA-N 0 0 397.248 2.772 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(F)c(F)cc1I ZINC000151943490 551423561 /nfs/dbraw/zinc/42/35/61/551423561.db2.gz HFDKVSZLRBURGE-NEPJUHHUSA-N 0 0 381.160 2.603 10 0 GFAERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3cc(C(=O)OC)co3)C2)n1 ZINC000153109338 551446823 /nfs/dbraw/zinc/44/68/23/551446823.db2.gz AYWLIJRUAWVFPM-NSHDSACASA-N 0 0 384.479 2.653 10 0 GFAERN O=C(CCNS(=O)(=O)c1cccs1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153347342 551451133 /nfs/dbraw/zinc/45/11/33/551451133.db2.gz MCKQHAHTDGXTKW-OAHLLOKOSA-N 0 0 382.482 2.749 10 0 GFAERN O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000154441967 551475068 /nfs/dbraw/zinc/47/50/68/551475068.db2.gz QZRIAXDCZZCKSK-RNCFNFMXSA-N 0 0 389.677 2.708 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1cc(F)ccc1Br)CC2 ZINC000154720040 551481163 /nfs/dbraw/zinc/48/11/63/551481163.db2.gz SAQHDLYSFWPEMH-ZDUSSCGKSA-N 0 0 395.276 2.977 10 0 GFAERN CCOc1cc(Br)ccc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000154973320 551487792 /nfs/dbraw/zinc/48/77/92/551487792.db2.gz FUUJTUCTOMMFTG-CQSZACIVSA-N 0 0 398.301 2.786 10 0 GFAERN Cc1ccc(I)cc1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000155167434 551493461 /nfs/dbraw/zinc/49/34/61/551493461.db2.gz KUSLZIZELFMJMP-LBPRGKRZSA-N 0 0 395.244 2.963 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000155271133 551496005 /nfs/dbraw/zinc/49/60/05/551496005.db2.gz ZIIVEBIDTQWIRU-PELKAZGASA-N 0 0 375.650 2.725 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000155271241 551496158 /nfs/dbraw/zinc/49/61/58/551496158.db2.gz ZIIVEBIDTQWIRU-QPUJVOFHSA-N 0 0 375.650 2.725 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Br)cn1C(C)C ZINC000155342240 551497444 /nfs/dbraw/zinc/49/74/44/551497444.db2.gz HBAZNHXMJFUHST-LBPRGKRZSA-N 0 0 396.289 2.834 10 0 GFAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCS[C@H](C)C1 ZINC000155841764 551509124 /nfs/dbraw/zinc/50/91/24/551509124.db2.gz YTQDYSADPAYRTO-SNVBAGLBSA-N 0 0 387.299 2.750 10 0 GFAERN COc1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)cc1I ZINC000156133689 551515509 /nfs/dbraw/zinc/51/55/09/551515509.db2.gz UQSQKNVVOCKANW-AOOOYVTPSA-N 0 0 375.206 2.549 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccncc1Br ZINC000158039907 551546234 /nfs/dbraw/zinc/54/62/34/551546234.db2.gz VINMAZOGWWQZAI-NSHDSACASA-N 0 0 384.274 2.973 10 0 GFAERN COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000158512524 551552813 /nfs/dbraw/zinc/55/28/13/551552813.db2.gz KZWMZMSQDGFOAL-MNOVXSKESA-N 0 0 398.706 2.693 10 0 GFAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCO[C@H](c2nccs2)C1 ZINC000158892027 551558440 /nfs/dbraw/zinc/55/84/40/551558440.db2.gz CYRNKKAOKHMSKH-JTQLQIEISA-N 0 0 380.278 2.607 10 0 GFAERN C[C@@H](NC(=O)NCc1cc(Br)cs1)c1nnc2n1CCCC2 ZINC000163635946 551621463 /nfs/dbraw/zinc/62/14/63/551621463.db2.gz NUGAWTNGXVZAIC-SECBINFHSA-N 0 0 384.303 2.999 10 0 GFAERN Cc1nc(C[C@@H]2CCCN([C@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000170914561 551643081 /nfs/dbraw/zinc/64/30/81/551643081.db2.gz UAVGPVNANRRQEJ-LRDDRELGSA-N 0 0 393.285 2.622 10 0 GFAERN O[C@@H](CN1CCN(Cc2cncc(Br)c2)CC1)c1ccccc1 ZINC000170935682 551643460 /nfs/dbraw/zinc/64/34/60/551643460.db2.gz KOFGVXGGSOPRHX-SFHVURJKSA-N 0 0 376.298 2.695 10 0 GFAERN C[C@H](NC(=O)NCCc1ccc(I)s1)[C@@H]1CCCO1 ZINC000171101226 551646706 /nfs/dbraw/zinc/64/67/06/551646706.db2.gz AWAMOQNCIKZOEE-ONGXEEELSA-N 0 0 394.278 2.762 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000171130528 551648018 /nfs/dbraw/zinc/64/80/18/551648018.db2.gz FVUVGPIIWKBNIF-SNVBAGLBSA-N 0 0 383.267 2.739 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)C1 ZINC000171468071 551656431 /nfs/dbraw/zinc/65/64/31/551656431.db2.gz IRAASKZTVYJVLU-CHWSQXEVSA-N 0 0 384.270 2.936 10 0 GFAERN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172206234 551673050 /nfs/dbraw/zinc/67/30/50/551673050.db2.gz LWKJQWPQZNJFTK-LLVKDONJSA-N 0 0 378.885 2.750 10 0 GFAERN OC[C@H]1CCCN1c1cc(NCCc2ccc(Br)cc2)ncn1 ZINC000172239377 551674510 /nfs/dbraw/zinc/67/45/10/551674510.db2.gz HCLSHYPMSKCTSX-OAHLLOKOSA-N 0 0 377.286 2.855 10 0 GFAERN C[C@@H](C(=O)N1CCSC[C@@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000172522301 551681106 /nfs/dbraw/zinc/68/11/06/551681106.db2.gz MLXWEZDMRHDSPR-IUCAKERBSA-N 0 0 387.288 2.942 10 0 GFAERN COc1ccc(Br)cc1CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000173049447 551693854 /nfs/dbraw/zinc/69/38/54/551693854.db2.gz JZMKUXKYJGSNAY-LBPRGKRZSA-N 0 0 378.270 2.750 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000173105606 551695960 /nfs/dbraw/zinc/69/59/60/551695960.db2.gz DQWDLFADNSTOBY-NEPJUHHUSA-N 0 0 375.332 2.529 10 0 GFAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N(CCO)CCOCC(F)(F)F ZINC000173659546 552090358 /nfs/dbraw/zinc/09/03/58/552090358.db2.gz DJZOCVDXBKXAPC-QWRGUYRKSA-N 0 0 380.329 2.690 10 0 GFAERN Cc1cnn(CCNc2ncnc3ccc(I)cc32)c1 ZINC000174743032 552109266 /nfs/dbraw/zinc/10/92/66/552109266.db2.gz JZSMCECTVSPKCD-UHFFFAOYSA-N 0 0 379.205 2.851 10 0 GFAERN COC(=O)c1ccsc1NC(=O)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000174788493 552110514 /nfs/dbraw/zinc/11/05/14/552110514.db2.gz ZSDHCVSROOTAHL-ZDUSSCGKSA-N 0 0 378.837 2.930 10 0 GFAERN C[C@@H]1CN([C@@H](CNS(=O)(=O)Cc2ccccc2)c2cccs2)CCO1 ZINC000175223357 552118494 /nfs/dbraw/zinc/11/84/94/552118494.db2.gz PAMIIXBTCATEQV-WBVHZDCISA-N 0 0 380.535 2.630 10 0 GFAERN COC(=O)c1cccc(CS(=O)(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000175381871 552120869 /nfs/dbraw/zinc/12/08/69/552120869.db2.gz IJNNAPBBPXXPJK-OAHLLOKOSA-N 0 0 380.491 2.987 10 0 GFAERN O=C(Nc1ccc(I)cc1)N[C@H]1CCCn2ncnc21 ZINC000175864305 552130439 /nfs/dbraw/zinc/13/04/39/552130439.db2.gz YXCICHJCXGMOCQ-NSHDSACASA-N 0 0 383.193 2.539 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000175880711 552131265 /nfs/dbraw/zinc/13/12/65/552131265.db2.gz XJAYIKRIRZLKSK-IUODEOHRSA-N 0 0 398.301 2.546 10 0 GFAERN CC[C@@H](NC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1 ZINC000176349812 552139551 /nfs/dbraw/zinc/13/95/51/552139551.db2.gz RTKVVOYYDGKXSG-XHDPSFHLSA-N 0 0 388.295 2.991 10 0 GFAERN COc1cc(Br)c(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)cc1Cl ZINC000176829691 552146707 /nfs/dbraw/zinc/14/67/07/552146707.db2.gz HJXSRFICYJHNMF-GZMMTYOYSA-N 0 0 398.706 2.957 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(I)c1 ZINC000177695987 552157186 /nfs/dbraw/zinc/15/71/86/552157186.db2.gz IMAKZJNHJWLNEM-GFCCVEGCSA-N 0 0 397.220 2.848 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)Oc1ccccc1Br ZINC000177718411 552157525 /nfs/dbraw/zinc/15/75/25/552157525.db2.gz MQJXVJKEHGNXAT-GXFFZTMASA-N 0 0 379.258 2.768 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCOc1ccccc1Br ZINC000177732207 552158335 /nfs/dbraw/zinc/15/83/35/552158335.db2.gz IXHSOHPPZWNJPW-CYBMUJFWSA-N 0 0 379.258 2.769 10 0 GFAERN CNC(=O)[C@H](NC(=O)CCCCOc1ccc(Br)cc1)C(C)C ZINC000178725974 552174484 /nfs/dbraw/zinc/17/44/84/552174484.db2.gz RKIPWWTXKUCHHO-MRXNPFEDSA-N 0 0 385.302 2.885 10 0 GFAERN Cc1cc(S(=O)(=O)NCCNC(=O)N[C@H](C)c2cccs2)c(C)s1 ZINC000178887284 552178563 /nfs/dbraw/zinc/17/85/63/552178563.db2.gz AGWMJYFEUIVFHG-LLVKDONJSA-N 0 0 387.552 2.765 10 0 GFAERN CN(Cc1cscn1)C(=O)[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1cscn1 ZINC000179620460 552197615 /nfs/dbraw/zinc/19/76/15/552197615.db2.gz UOFHDXLQHPCCSG-GASCZTMLSA-N 0 0 378.523 2.633 10 0 GFAERN O=C(Nc1ccc(Br)c2ccccc12)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000179837232 552204627 /nfs/dbraw/zinc/20/46/27/552204627.db2.gz ZUFZTVVIORHZKY-CVEARBPZSA-N 0 0 391.265 2.961 10 0 GFAERN O=C(Nc1c(F)cc(Cl)cc1F)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000180121111 552213867 /nfs/dbraw/zinc/21/38/67/552213867.db2.gz AEUPPRAETXKWHF-LLVKDONJSA-N 0 0 387.795 2.613 10 0 GFAERN C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181024321 552242949 /nfs/dbraw/zinc/24/29/49/552242949.db2.gz YRRFIKYRMSZLQX-GFCCVEGCSA-N 0 0 383.901 2.762 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)NCc3ccc(Cl)cn3)CC2)cs1 ZINC000181064527 552244626 /nfs/dbraw/zinc/24/46/26/552244626.db2.gz PHFLKOHZLVQEHD-UHFFFAOYSA-N 0 0 379.917 2.917 10 0 GFAERN COC(=O)C1CCN(C(=O)[C@H](C)N[C@@H](C)c2ccccc2Br)CC1 ZINC000181566867 552261057 /nfs/dbraw/zinc/26/10/57/552261057.db2.gz SQRATSFXSZPQRK-STQMWFEESA-N 0 0 397.313 2.900 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000181627351 552262867 /nfs/dbraw/zinc/26/28/67/552262867.db2.gz SRWTYGPUXXDOFI-GUYCJALGSA-N 0 0 396.329 2.535 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)Cc1cc(Cl)ccc1F)CC2 ZINC000181729961 552266451 /nfs/dbraw/zinc/26/64/51/552266451.db2.gz BIYFJHFZIVZENR-CYBMUJFWSA-N 0 0 386.880 2.628 10 0 GFAERN COc1cc(Br)ccc1CN1CCCN(Cc2noc(C)n2)CC1 ZINC000182027296 552273442 /nfs/dbraw/zinc/27/34/42/552273442.db2.gz PVEKCGJURJYIJD-UHFFFAOYSA-N 0 0 395.301 2.857 10 0 GFAERN COCCN1CCN(C(=O)CCc2cc(F)ccc2Br)C[C@H]1C ZINC000182447988 552284068 /nfs/dbraw/zinc/28/40/68/552284068.db2.gz XGPSDRVAIHAJDP-CYBMUJFWSA-N 0 0 387.293 2.700 10 0 GFAERN O[C@@H](COc1ccc(Br)cc1)CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182732897 552291853 /nfs/dbraw/zinc/29/18/53/552291853.db2.gz BZYFSMPDHYTPKF-UKRRQHHQSA-N 0 0 381.274 2.534 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)n1 ZINC000182821785 552293799 /nfs/dbraw/zinc/29/37/99/552293799.db2.gz XLHBTOAIKHUSNY-ILXRZTDVSA-N 0 0 392.253 2.844 10 0 GFAERN Cc1cc(S(=O)(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)c(C)o1 ZINC000183274098 552304500 /nfs/dbraw/zinc/30/45/00/552304500.db2.gz MYPDJYVTZIBKFL-HNNXBMFYSA-N 0 0 384.523 2.652 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000184820842 552345395 /nfs/dbraw/zinc/34/53/95/552345395.db2.gz IYQZMLQKXQZVDV-CJNGLKHVSA-N 0 0 384.318 2.608 10 0 GFAERN Brc1ccc2[nH]c(CN3CCC[C@H](Cn4cncn4)C3)nc2c1 ZINC000184971715 552349308 /nfs/dbraw/zinc/34/93/08/552349308.db2.gz OYGKBQSRNWFCAI-LBPRGKRZSA-N 0 0 375.274 2.829 10 0 GFAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ncc(Br)cc1Br ZINC000184966250 552349581 /nfs/dbraw/zinc/34/95/81/552349581.db2.gz SZOZLNKYLMFXAN-HTQZYQBOSA-N 0 0 378.064 2.856 10 0 GFAERN O=C([C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl)N1CCN(CCO)CC1 ZINC000185560489 552365514 /nfs/dbraw/zinc/36/55/14/552365514.db2.gz TZHAVUNAFWAZIC-WBVHZDCISA-N 0 0 387.307 2.598 10 0 GFAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(SC)c(Cl)c1)CC2 ZINC000185644890 552368081 /nfs/dbraw/zinc/36/80/81/552368081.db2.gz PVRFZNFPPBKTHR-SNVBAGLBSA-N 0 0 386.930 2.509 10 0 GFAERN O=C(NC1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1)C1CCC1 ZINC000186174214 552381231 /nfs/dbraw/zinc/38/12/31/552381231.db2.gz UKXRKIXSLCNIFV-UHFFFAOYSA-N 0 0 396.818 2.648 10 0 GFAERN Cc1cc(Br)cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 ZINC000187589954 552419827 /nfs/dbraw/zinc/41/98/27/552419827.db2.gz RJAYFEBKDGCBEN-HNNXBMFYSA-N 0 0 376.254 2.976 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000187712440 552422823 /nfs/dbraw/zinc/42/28/23/552422823.db2.gz DDPQNESNVWSUCD-QLJPJBMISA-N 0 0 388.233 2.910 10 0 GFAERN C[C@H](Nc1cccc(S(=O)(=O)N2CCC(O)CC2)c1)C1CCSCC1 ZINC000188097953 552434730 /nfs/dbraw/zinc/43/47/30/552434730.db2.gz AZIRWELZDJHGFF-AWEZNQCLSA-N 0 0 384.567 2.776 10 0 GFAERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000188099642 552435144 /nfs/dbraw/zinc/43/51/44/552435144.db2.gz ZRFPNABTRQCIJM-LLVKDONJSA-N 0 0 381.263 2.838 10 0 GFAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000188170279 552437699 /nfs/dbraw/zinc/43/76/99/552437699.db2.gz BMLPCXNLSVJZNY-VIFPVBQESA-N 0 0 396.227 2.586 10 0 GFAERN O=C(Cc1c[nH]c2cccc(Br)c12)N1CC(NC(=O)C2CCC2)C1 ZINC000188486512 552445957 /nfs/dbraw/zinc/44/59/57/552445957.db2.gz CERCVBBPBMZWAV-UHFFFAOYSA-N 0 0 390.281 2.600 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3nc(Br)cs3)C2)n1 ZINC000188875000 552457353 /nfs/dbraw/zinc/45/73/53/552457353.db2.gz NTCWYJKJIIQTIN-LLVKDONJSA-N 0 0 384.303 2.666 10 0 GFAERN O=S(=O)(c1ccc(C(F)(F)F)nc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188880902 552457368 /nfs/dbraw/zinc/45/73/68/552457368.db2.gz AJSIIEFHJDYLHN-AAEUAGOBSA-N 0 0 392.424 2.559 10 0 GFAERN O=S(=O)(c1c(F)cccc1Cl)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188870143 552457533 /nfs/dbraw/zinc/45/75/33/552457533.db2.gz NLNHTJYQAJHZPP-RYUDHWBXSA-N 0 0 375.874 2.937 10 0 GFAERN CCCOc1c(Br)cc(C(=O)N2CCCNC(=O)[C@H]2C)cc1OC ZINC000188928776 552458574 /nfs/dbraw/zinc/45/85/74/552458574.db2.gz QFZBLDJBSKOEQA-LLVKDONJSA-N 0 0 399.285 2.597 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(Br)cc1C(F)(F)F ZINC000189241321 552466533 /nfs/dbraw/zinc/46/65/33/552466533.db2.gz JDFTYHFLCALYLD-QMMMGPOBSA-N 0 0 379.176 2.819 10 0 GFAERN O=C(NC1CN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1)C1CC1 ZINC000189492625 552473255 /nfs/dbraw/zinc/47/32/55/552473255.db2.gz OUCIFOKNPCHKBM-UHFFFAOYSA-N 0 0 379.247 2.530 10 0 GFAERN CCOCCN1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@@H]1C ZINC000189659106 552477126 /nfs/dbraw/zinc/47/71/26/552477126.db2.gz DNXQMOVSGZKNMZ-LBPRGKRZSA-N 0 0 382.917 2.974 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)c2cc(Br)c(F)cc2F)n1 ZINC000190635927 552504454 /nfs/dbraw/zinc/50/44/54/552504454.db2.gz LHFMOAAPVDTNNR-GFCCVEGCSA-N 0 0 388.168 2.632 10 0 GFAERN C[C@@H]1OCCC[C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000190906218 552512918 /nfs/dbraw/zinc/51/29/18/552512918.db2.gz RUURELFYHNQDSX-SWLSCSKDSA-N 0 0 383.286 2.500 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)c2cc(I)ccc2O)cn1 ZINC000191245130 552522638 /nfs/dbraw/zinc/52/26/38/552522638.db2.gz ZVUHJXJABBQAFP-ZDUSSCGKSA-N 0 0 397.216 2.708 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Cc3ccc(Br)cc3)CCO2)cn1 ZINC000191768014 552537478 /nfs/dbraw/zinc/53/74/78/552537478.db2.gz LQWMGNNNBHKCDT-INIZCTEOSA-N 0 0 378.270 2.808 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)c3ccc(Br)cc3O)CCO2)cn1 ZINC000191805534 552538469 /nfs/dbraw/zinc/53/84/69/552538469.db2.gz XPQTYDSADLXJTL-OAHLLOKOSA-N 0 0 380.242 2.585 10 0 GFAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000191856433 552540106 /nfs/dbraw/zinc/54/01/06/552540106.db2.gz IQDAOHUGKHOJMS-SMDDNHRTSA-N 0 0 380.491 2.967 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccc(Cl)c1Br ZINC000192048662 552547698 /nfs/dbraw/zinc/54/76/98/552547698.db2.gz VVLLJNGZQGIYIK-BXKDBHETSA-N 0 0 389.677 2.708 10 0 GFAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ncc(Br)s1 ZINC000192407949 552562102 /nfs/dbraw/zinc/56/21/02/552562102.db2.gz ZWHHKJHJDLECKE-SECBINFHSA-N 0 0 387.280 2.554 10 0 GFAERN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000192470672 552565289 /nfs/dbraw/zinc/56/52/89/552565289.db2.gz QWLQLBVOCKXDTL-CHWSQXEVSA-N 0 0 381.259 2.903 10 0 GFAERN CC(C)(C)c1csc([C@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)n1 ZINC000193956674 553008054 /nfs/dbraw/zinc/00/80/54/553008054.db2.gz XOWXURDGHBZWPM-CQSZACIVSA-N 0 0 381.523 2.785 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@H]1CCOC[C@H]1C)c1cccc(Br)c1 ZINC000194127992 553012379 /nfs/dbraw/zinc/01/23/79/553012379.db2.gz NARKUKTXRCSLBP-UGFHNGPFSA-N 0 0 384.270 2.842 10 0 GFAERN Cc1ccc(S(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)c(Cl)c1 ZINC000195014727 553035815 /nfs/dbraw/zinc/03/58/15/553035815.db2.gz JAFLRUVHBBPNJS-UHFFFAOYSA-N 0 0 387.910 2.672 10 0 GFAERN Cc1cc(Cc2cnc(NC(=O)[C@@H]3COCCN3)s2)ccc1Br ZINC000237778960 553081948 /nfs/dbraw/zinc/08/19/48/553081948.db2.gz HBXVOVPZFPCXOQ-AWEZNQCLSA-N 0 0 396.310 2.732 10 0 GFAERN O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245561827 553092939 /nfs/dbraw/zinc/09/29/39/553092939.db2.gz CHQNPSOUVQTWEP-JTQLQIEISA-N 0 0 397.697 2.710 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)c2ccc(Br)c(Cl)c2)C[C@@H]1C ZINC000246014519 553100965 /nfs/dbraw/zinc/10/09/65/553100965.db2.gz LPGZWSGIBQRPJD-QWRGUYRKSA-N 0 0 375.694 2.630 10 0 GFAERN C[C@@H]1COC[C@H](C)N1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000246942718 553115964 /nfs/dbraw/zinc/11/59/64/553115964.db2.gz JRVWQLWZPRLDIV-NTZNESFSSA-N 0 0 378.694 2.951 10 0 GFAERN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)o1 ZINC000248257498 553128174 /nfs/dbraw/zinc/12/81/74/553128174.db2.gz PAXJXDFOCSBWRI-UONOGXRCSA-N 0 0 382.507 2.988 10 0 GFAERN C[C@H]1CN([C@H](CNS(=O)(=O)Cc2ccccc2)c2cccs2)CCO1 ZINC000248357029 553128954 /nfs/dbraw/zinc/12/89/54/553128954.db2.gz PAMIIXBTCATEQV-DOTOQJQBSA-N 0 0 380.535 2.630 10 0 GFAERN NC(=O)N1CC[C@H](NC(=O)[C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248610546 553131980 /nfs/dbraw/zinc/13/19/80/553131980.db2.gz QFHWZUYQSPWTGM-WHOFXGATSA-N 0 0 386.279 2.730 10 0 GFAERN O=C1CCCN1C[C@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000248636176 553132595 /nfs/dbraw/zinc/13/25/95/553132595.db2.gz VNXMXXSSBBLGFS-CVEARBPZSA-N 0 0 385.277 2.708 10 0 GFAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000248864507 553136286 /nfs/dbraw/zinc/13/62/86/553136286.db2.gz HGLGNUIKFCLBFC-STQMWFEESA-N 0 0 386.901 2.594 10 0 GFAERN C[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000252660739 553150188 /nfs/dbraw/zinc/15/01/88/553150188.db2.gz CURLVDKAXXWHNE-MNOVXSKESA-N 0 0 379.345 2.758 10 0 GFAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000252592636 553150334 /nfs/dbraw/zinc/15/03/34/553150334.db2.gz SQVZQFJIDZXBFW-PSOPSSQASA-N 0 0 391.320 2.637 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)c2ccc(Br)s2)C1 ZINC000262757041 553175162 /nfs/dbraw/zinc/17/51/62/553175162.db2.gz ZBGQJQQURPBPAX-KPPDAEKUSA-N 0 0 389.315 2.668 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(Cc2ccc(Br)cc2OC)CC1 ZINC000263487523 553188735 /nfs/dbraw/zinc/18/87/35/553188735.db2.gz HUSLMAMPUMZPLZ-UHFFFAOYSA-N 0 0 385.302 2.829 10 0 GFAERN COc1ccc(CN2C[C@H]3CN(C(=O)Nc4ccc(F)cc4)CCN3C2=O)cc1 ZINC000096269085 560054072 /nfs/dbraw/zinc/05/40/72/560054072.db2.gz HGNKPMYFESJIAH-GOSISDBHSA-N 0 0 398.438 2.988 10 0 GFAERN COc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)c2ccccc2OC)C3)cc1 ZINC000096112851 560060624 /nfs/dbraw/zinc/06/06/24/560060624.db2.gz KJGPJTNCIPNVIT-KRWDZBQOSA-N 0 0 393.443 2.896 10 0 GFAERN O=C(CCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)NC1CCCC1 ZINC000301153238 563394286 /nfs/dbraw/zinc/39/42/86/563394286.db2.gz FCRTXXAZBZBBAA-UHFFFAOYSA-N 0 0 382.379 2.980 10 0 GFAERN COc1ccc(Br)cc1CNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000301236637 563397195 /nfs/dbraw/zinc/39/71/95/563397195.db2.gz KNPXQPDAQSTRMU-CQSZACIVSA-N 0 0 393.285 2.821 10 0 GFAERN CC(C)(C)c1nnc(Sc2ccccc2S(=O)(=O)C(F)(F)F)n1N ZINC000301706630 563411234 /nfs/dbraw/zinc/41/12/34/563411234.db2.gz IQYCNCZUJZFJJZ-UHFFFAOYSA-N 0 0 380.417 2.734 10 0 GFAERN O=S1(=O)N=C(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000302033961 563419155 /nfs/dbraw/zinc/41/91/55/563419155.db2.gz LCUKHZGOWHEJNP-NSHDSACASA-N 0 0 379.844 2.797 10 0 GFAERN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)C[C@H]1N1CCOCC1 ZINC000302531030 563425966 /nfs/dbraw/zinc/42/59/66/563425966.db2.gz QHCHSSSCIKAZNV-CZUORRHYSA-N 0 0 378.929 2.939 10 0 GFAERN O=S1(=O)N=C(N2CCc3cc(Br)ccc3C2)c2ccccc21 ZINC000302783586 563429559 /nfs/dbraw/zinc/42/95/59/563429559.db2.gz UFLKMZALTWFVNI-UHFFFAOYSA-N 0 0 377.263 2.956 10 0 GFAERN O=S(=O)(c1cc(Cl)cc2c1OCC2)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000328615722 563461391 /nfs/dbraw/zinc/46/13/91/563461391.db2.gz YXHARBWHWOJXQX-ZFWWWQNUSA-N 0 0 399.921 2.733 10 0 GFAERN C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC000392906771 563527979 /nfs/dbraw/zinc/52/79/79/563527979.db2.gz XHIQFXHYBYWXGR-WRWORJQWSA-N 0 0 392.091 2.674 10 0 GFAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1scc(Br)c1Br ZINC000529274843 564827683 /nfs/dbraw/zinc/82/76/83/564827683.db2.gz JABUFZKJYRHEMC-IYSWYEEDSA-N 0 0 396.104 2.670 10 0 GFAERN CCCCC(=O)NCCNC(=O)c1csc(COc2ccccc2F)n1 ZINC000034905849 570339089 /nfs/dbraw/zinc/33/90/89/570339089.db2.gz SZMQNVPFYQLQJP-UHFFFAOYSA-N 0 0 379.457 2.897 10 0 GFAERN CCN(CCn1cccn1)C(=O)c1cc(COc2cncc(Cl)c2)on1 ZINC000012003839 570598380 /nfs/dbraw/zinc/59/83/80/570598380.db2.gz ADPUVIMLBACERI-UHFFFAOYSA-N 0 0 375.816 2.661 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Cl)c2ncccc12 ZINC000157050198 570789133 /nfs/dbraw/zinc/78/91/33/570789133.db2.gz TVCAKXVTTWCKFK-CYBMUJFWSA-N 0 0 391.884 2.856 10 0 GFAERN CCOc1cccc(CNC(=O)c2nc3c(cnn3C)c(N3CCCCC3)n2)c1 ZINC000065257140 570883951 /nfs/dbraw/zinc/88/39/51/570883951.db2.gz MANUCSCXUAIPTJ-UHFFFAOYSA-N 0 0 394.479 2.682 10 0 GFAERN C[C@@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000049788095 654716166 /nfs/dbraw/zinc/71/61/66/654716166.db2.gz MDNOOHZUKADVQD-PWSUYJOCSA-N 0 0 394.324 2.778 10 0 GFAERN CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(C)nn(C)c2Cl)C12CCCC2 ZINC000122501535 654738816 /nfs/dbraw/zinc/73/88/16/654738816.db2.gz ZUZYBAMMOQCSBA-OLZOCXBDSA-N 0 0 375.922 2.740 10 0 GFAERN O=C(Nc1cc(Br)ccc1F)C(=O)N[C@H]1COc2ccccc21 ZINC000123222528 654753545 /nfs/dbraw/zinc/75/35/45/654753545.db2.gz OUUOTSIULLCDEY-ZDUSSCGKSA-N 0 0 379.185 2.777 10 0 GFAERN CN1C(=O)C[C@@H](C(=O)Nc2cnc(Br)cn2)[C@@H]1c1ccc(F)cc1 ZINC000127015175 654823547 /nfs/dbraw/zinc/82/35/47/654823547.db2.gz CLSORDPXCDKQJP-ABAIWWIYSA-N 0 0 393.216 2.536 10 0 GFAERN Cc1c(Cl)cccc1S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000128408375 654846051 /nfs/dbraw/zinc/84/60/51/654846051.db2.gz FNNCHGUWFZKBCX-CQSZACIVSA-N 0 0 380.901 2.728 10 0 GFAERN O=C(NCCc1cc(Cl)ccc1Br)N[C@H]1CCc2ncnn2C1 ZINC000128839062 654852363 /nfs/dbraw/zinc/85/23/63/654852363.db2.gz CSZFGABYQSGSNY-LBPRGKRZSA-N 0 0 398.692 2.551 10 0 GFAERN O=C1[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2)CCN1c1ccc(F)cc1 ZINC000065229265 654879646 /nfs/dbraw/zinc/87/96/46/654879646.db2.gz VNSIGQVTAHUJQH-INIZCTEOSA-N 0 0 382.844 2.704 10 0 GFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000130444517 654888197 /nfs/dbraw/zinc/88/81/97/654888197.db2.gz XDHROFJBFRPIDN-LBPRGKRZSA-N 0 0 393.285 2.793 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000068530797 654965044 /nfs/dbraw/zinc/96/50/44/654965044.db2.gz GSVSPANIKRMMPA-ABAIWWIYSA-N 0 0 376.254 2.712 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000068782782 654967742 /nfs/dbraw/zinc/96/77/42/654967742.db2.gz KSTRBTNAPWDWEV-TZMCWYRMSA-N 0 0 382.482 2.918 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Br ZINC000070705508 654993885 /nfs/dbraw/zinc/99/38/85/654993885.db2.gz IXYWDHIAVIFSFU-CYBMUJFWSA-N 0 0 375.288 2.592 10 0 GFAERN O=C(COc1ccccc1Br)N1CCC(Nc2cccnn2)CC1 ZINC000134630717 654998418 /nfs/dbraw/zinc/99/84/18/654998418.db2.gz OPUQJWPHTITLRI-UHFFFAOYSA-N 0 0 391.269 2.721 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1cccnc1OC)c1cccc(Br)c1 ZINC000072041555 655002431 /nfs/dbraw/zinc/00/24/31/655002431.db2.gz GYTVLCBBCKEBJO-AWEZNQCLSA-N 0 0 393.237 2.887 10 0 GFAERN C[C@H](NC(=O)c1cc(Br)cnc1Cl)c1nnc2n1CCCC2 ZINC000135293511 655013349 /nfs/dbraw/zinc/01/33/49/655013349.db2.gz PWZXBEHOUOARMX-QMMMGPOBSA-N 0 0 384.665 2.916 10 0 GFAERN C[C@@H](NC(=O)COc1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000135381232 655015121 /nfs/dbraw/zinc/01/51/21/655015121.db2.gz HLCBGQVDIAKFEJ-LLVKDONJSA-N 0 0 379.258 2.633 10 0 GFAERN Cn1cc(C2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)cn1 ZINC000092829457 655015752 /nfs/dbraw/zinc/01/57/52/655015752.db2.gz VGKCBAICTNBSIX-UHFFFAOYSA-N 0 0 381.249 2.805 10 0 GFAERN O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CC2(Cl)Cl)C1)[C@@H]1CC1(Cl)Cl ZINC000136494302 655032279 /nfs/dbraw/zinc/03/22/79/655032279.db2.gz PNVZZWPBFONVDR-GUBZILKMSA-N 0 0 388.122 2.729 10 0 GFAERN C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1c(Cl)ccc(F)c1Cl ZINC000097699394 655037752 /nfs/dbraw/zinc/03/77/52/655037752.db2.gz WWSWZXJASQOIMK-VIFPVBQESA-N 0 0 397.299 2.981 10 0 GFAERN CC(=O)N(c1nn(CN2CCO[C@@H](c3nccs3)C2)c(=S)s1)C1CC1 ZINC000152220536 655057371 /nfs/dbraw/zinc/05/73/71/655057371.db2.gz SYCRYYBETJJBSS-GFCCVEGCSA-N 0 0 397.551 2.677 10 0 GFAERN COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000102660624 655057383 /nfs/dbraw/zinc/05/73/83/655057383.db2.gz INIJBPGJOYWZIZ-SECBINFHSA-N 0 0 394.262 2.550 10 0 GFAERN Cc1cnn([C@@H]2CCCN(Cn3nnn(Cc4cccs4)c3=S)C2)c1 ZINC000152904926 655062782 /nfs/dbraw/zinc/06/27/82/655062782.db2.gz OWMLOFBIWKJQAT-CQSZACIVSA-N 0 0 375.527 2.718 10 0 GFAERN O=C(CN1CCC(Nc2cccnn2)CC1)Nc1ccccc1Br ZINC000106081479 655101990 /nfs/dbraw/zinc/10/19/90/655101990.db2.gz DKMREANIZLVOMA-UHFFFAOYSA-N 0 0 390.285 2.754 10 0 GFAERN Cc1nc(CN2CCCN(Cc3ccc(F)cc3Br)CC2)no1 ZINC000106149498 655104062 /nfs/dbraw/zinc/10/40/62/655104062.db2.gz BMCPMTPFPHXEOZ-UHFFFAOYSA-N 0 0 383.265 2.988 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000106368205 655107463 /nfs/dbraw/zinc/10/74/63/655107463.db2.gz VHQUYGJLEBIDSH-LBPRGKRZSA-N 0 0 399.314 2.629 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000170661874 655144886 /nfs/dbraw/zinc/14/48/86/655144886.db2.gz DRTGFXIHRSXGID-DCAQKATOSA-N 0 0 393.292 2.883 10 0 GFAERN O=C(COc1cc(Cl)ccc1Cl)N1CCCN(c2cccnn2)CC1 ZINC000109631760 655149374 /nfs/dbraw/zinc/14/93/74/655149374.db2.gz HXJDGIDGFBOJKF-UHFFFAOYSA-N 0 0 381.263 2.901 10 0 GFAERN O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111081081 655164220 /nfs/dbraw/zinc/16/42/20/655164220.db2.gz UPQVBXAJEMNCTC-GVDBMIGSSA-N 0 0 390.281 2.677 10 0 GFAERN O=S(=O)(c1ccccc1C(F)(F)F)N1CCO[C@H](c2nccs2)C1 ZINC000111344027 655169406 /nfs/dbraw/zinc/16/94/06/655169406.db2.gz BNNVFZVHIDSOAC-NSHDSACASA-N 0 0 378.397 2.924 10 0 GFAERN COCCN1CCN(C(=O)[C@@H](C)c2ccc(Br)s2)C[C@@H]1C ZINC000173548106 655174364 /nfs/dbraw/zinc/17/43/64/655174364.db2.gz BQJHAHUHIXKUAH-RYUDHWBXSA-N 0 0 375.332 2.793 10 0 GFAERN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H]1Cn1ccnc1 ZINC000173730879 655178163 /nfs/dbraw/zinc/17/81/63/655178163.db2.gz MURAYIOECCNSEY-GFCCVEGCSA-N 0 0 377.363 2.894 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(F)cc(Br)c3)CCO2)c1 ZINC000112068478 655181587 /nfs/dbraw/zinc/18/15/87/655181587.db2.gz QPIGMQHCOAUNHV-HNNXBMFYSA-N 0 0 382.233 2.634 10 0 GFAERN C[C@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)C[C@@H]1N1CCOCC1 ZINC000173874052 655183654 /nfs/dbraw/zinc/18/36/54/655183654.db2.gz COQBZLKWTQALCX-YOEHRIQHSA-N 0 0 378.563 2.958 10 0 GFAERN C[C@H](NC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccc(Cl)s1 ZINC000173968560 655187508 /nfs/dbraw/zinc/18/75/08/655187508.db2.gz KPOFJUGKLUHYBT-VIFPVBQESA-N 0 0 376.891 2.525 10 0 GFAERN CCN(CC)c1nc2sc(C(=O)N[C@@H]3CCc4ncnn4C3)cc2s1 ZINC000112656911 655194472 /nfs/dbraw/zinc/19/44/72/655194472.db2.gz LWKBZELCMIHAIK-SNVBAGLBSA-N 0 0 376.511 2.540 10 0 GFAERN O=C(N[C@H]1CCc2ncnn2C1)NC1(c2ccc(Br)cc2)CCC1 ZINC000112748285 655197134 /nfs/dbraw/zinc/19/71/34/655197134.db2.gz BXUGQAMEAUHUGE-AWEZNQCLSA-N 0 0 390.285 2.734 10 0 GFAERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)n1 ZINC000113944842 655216160 /nfs/dbraw/zinc/21/61/60/655216160.db2.gz KBLISEZXSWQFCO-NSHDSACASA-N 0 0 388.946 2.969 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000175307105 655219667 /nfs/dbraw/zinc/21/96/67/655219667.db2.gz AIXLRWXIRWGSAQ-GFCCVEGCSA-N 0 0 377.819 2.862 10 0 GFAERN C[C@H](NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000175622660 655224089 /nfs/dbraw/zinc/22/40/89/655224089.db2.gz MGEGAKOKFLIXJL-JKIFEVAISA-N 0 0 396.329 2.872 10 0 GFAERN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](c3nc(C)cs3)C2)oc1C ZINC000175837717 655227978 /nfs/dbraw/zinc/22/79/78/655227978.db2.gz RQAJTUBNGMRUBM-LBPRGKRZSA-N 0 0 384.479 2.708 10 0 GFAERN COCc1c(Br)cccc1NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000175975565 655230565 /nfs/dbraw/zinc/23/05/65/655230565.db2.gz RULMYEJPHUZHBF-CYBMUJFWSA-N 0 0 380.246 2.844 10 0 GFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000115387620 655236600 /nfs/dbraw/zinc/23/66/00/655236600.db2.gz JYDXNNFWNPEBQS-UHFFFAOYSA-N 0 0 384.311 2.640 10 0 GFAERN O=C(CSCC(=O)N1CCC[C@@H](n2cncn2)C1)c1ccc(Cl)cc1 ZINC000176229904 655240671 /nfs/dbraw/zinc/24/06/71/655240671.db2.gz JXLRXQTWVFVWPQ-OAHLLOKOSA-N 0 0 378.885 2.711 10 0 GFAERN O=C(CCc1ccc(Br)cc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000176411196 655244367 /nfs/dbraw/zinc/24/43/67/655244367.db2.gz UTPKRQPMSWRFGY-INIZCTEOSA-N 0 0 389.297 2.957 10 0 GFAERN Cc1[nH]c(=S)sc1CC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176422805 655244774 /nfs/dbraw/zinc/24/47/74/655244774.db2.gz SYKWLDHMLKYKMR-GFCCVEGCSA-N 0 0 377.539 2.964 10 0 GFAERN COc1ccccc1-c1nc(C[S@@](=O)Cc2nnnn2C(C)C)cs1 ZINC000176498699 655247985 /nfs/dbraw/zinc/24/79/85/655247985.db2.gz FIUCKKUNNLRISZ-RUZDIDTESA-N 0 0 377.495 2.835 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CCS1 ZINC000116573707 655249580 /nfs/dbraw/zinc/24/95/80/655249580.db2.gz IVQGYXVQUXSKMR-ZJWNCGCPSA-N 0 0 382.551 2.636 10 0 GFAERN COCCN1CCN(C(=O)CCCOc2ccccc2Br)C[C@H]1C ZINC000117284426 655263159 /nfs/dbraw/zinc/26/31/59/655263159.db2.gz VBNGMBNRBONTGS-OAHLLOKOSA-N 0 0 399.329 2.787 10 0 GFAERN O=C(Nc1cc(Cl)ccc1Cl)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177521153 655279438 /nfs/dbraw/zinc/27/94/38/655279438.db2.gz ZTSJDOXLKVZSGD-GFCCVEGCSA-N 0 0 386.260 2.989 10 0 GFAERN O=C(Nc1cc(F)c(F)cc1Cl)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177521344 655279452 /nfs/dbraw/zinc/27/94/52/655279452.db2.gz YOCHGMLSKRAXLP-LBPRGKRZSA-N 0 0 387.795 2.613 10 0 GFAERN Cc1cc(Br)ccc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118669981 655280485 /nfs/dbraw/zinc/28/04/85/655280485.db2.gz HGRGCURGVVQNBS-AWEZNQCLSA-N 0 0 375.270 2.946 10 0 GFAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000177581703 655282448 /nfs/dbraw/zinc/28/24/48/655282448.db2.gz QXTBDGWYSYQHDG-GHMZBOCLSA-N 0 0 382.404 2.689 10 0 GFAERN Cc1cc(Cl)c(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1Cl ZINC000118981242 655285455 /nfs/dbraw/zinc/28/54/55/655285455.db2.gz PINWPKRCSYFUBO-NSHDSACASA-N 0 0 382.251 2.696 10 0 GFAERN O[C@H](COc1cccc(Br)c1)CN1CCO[C@H](c2ccco2)C1 ZINC000177676812 655285591 /nfs/dbraw/zinc/28/55/91/655285591.db2.gz SIVVLANDJKNTMJ-YOEHRIQHSA-N 0 0 382.254 2.855 10 0 GFAERN Cc1cnn(C[C@H]2CN(Cc3cc(Br)cc(C)c3O)CCO2)c1 ZINC000180129273 655322643 /nfs/dbraw/zinc/32/26/43/655322643.db2.gz BKCTXNDAGAALHW-MRXNPFEDSA-N 0 0 380.286 2.869 10 0 GFAERN COC(=O)C[C@@H](NC(=O)NC[C@@]1(C)CCCO1)c1cccc(Br)c1 ZINC000120495174 655337215 /nfs/dbraw/zinc/33/72/15/655337215.db2.gz OTCYXGYIZNATKA-RHSMWYFYSA-N 0 0 399.285 2.922 10 0 GFAERN CC(=O)N[C@H]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000120842473 655345217 /nfs/dbraw/zinc/34/52/17/655345217.db2.gz DQJYWVBKCWAXKM-LBPRGKRZSA-N 0 0 377.794 2.898 10 0 GFAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@H](n2cncn2)C1 ZINC000120886027 655346024 /nfs/dbraw/zinc/34/60/24/655346024.db2.gz ATCDJUQKCOHECS-LSDHHAIUSA-N 0 0 379.258 2.592 10 0 GFAERN CCOC(=O)C[C@H](NC(=O)C[C@H](O)C(C)C)c1cccc(Br)c1 ZINC000184853857 655359834 /nfs/dbraw/zinc/35/98/34/655359834.db2.gz PHPVXYVUTWPDJJ-GJZGRUSLSA-N 0 0 386.286 2.967 10 0 GFAERN O=C(NC1CN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)C1)C1CCC1 ZINC000186175901 655368235 /nfs/dbraw/zinc/36/82/35/655368235.db2.gz JOTGQWZLHCAHAQ-UHFFFAOYSA-N 0 0 394.440 2.588 10 0 GFAERN NC(=O)[C@H]1COCCN1C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 ZINC000299667467 655377667 /nfs/dbraw/zinc/37/76/67/655377667.db2.gz UCQGNMSYISTZNE-DDJMYBDESA-N 0 0 376.865 2.794 10 0 GFAERN C[C@H](NC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)C(N)=O ZINC000192760580 655406804 /nfs/dbraw/zinc/40/68/04/655406804.db2.gz JYMKCXMVUBIEBQ-JTQLQIEISA-N 0 0 383.231 2.767 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@H](Oc2cccnc2)C1 ZINC000193594854 655411206 /nfs/dbraw/zinc/41/12/06/655411206.db2.gz HKMTUKLVVUNYPK-RDJZCZTQSA-N 0 0 389.249 2.828 10 0 GFAERN C[C@H](OC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C(Cl)(Cl)Cl ZINC000245647665 655428148 /nfs/dbraw/zinc/42/81/48/655428148.db2.gz BVKLWEVVGNDMAR-XRNSZHNASA-N 0 0 382.675 2.632 10 0 GFAERN C[C@H](CCS(C)(=O)=O)OC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000248426818 655432509 /nfs/dbraw/zinc/43/25/09/655432509.db2.gz NRRVDXWCSYIEFR-SWHYSGLUSA-N 0 0 375.284 2.919 10 0 GFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cn3cc(Br)cn3)C[C@@H]12 ZINC000248627202 655432842 /nfs/dbraw/zinc/43/28/42/655432842.db2.gz OHLKVMWYXMYCKT-MRVWCRGKSA-N 0 0 385.306 2.838 10 0 GFAERN CN(Cc1cc(Br)ccc1F)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000249836235 655434791 /nfs/dbraw/zinc/43/47/91/655434791.db2.gz SHWUZUMNVRFPKZ-ZIAGYGMSSA-N 0 0 381.245 2.929 10 0 GFAERN CC(C)N1C(=O)N[C@@H]2CN(c3nc4cc(Br)ccc4o3)CC[C@@H]21 ZINC000893783094 663424854 /nfs/dbraw/zinc/42/48/54/663424854.db2.gz NHMIHQVGDBAUKZ-OLZOCXBDSA-N 0 0 379.258 2.971 10 0 GFAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c[nH]nc1I ZINC000895568102 663519430 /nfs/dbraw/zinc/51/94/30/663519430.db2.gz KDHGDTJICNFPTP-NKWVEPMBSA-N 0 0 387.143 2.865 10 0 GFAERN C[C@H]1CC(CNC(=O)c2nscc2I)C[C@H](C)O1 ZINC000907972709 664074840 /nfs/dbraw/zinc/07/48/40/664074840.db2.gz CKUJKCNKZZHOOU-YUMQZZPRSA-N 0 0 380.251 2.681 10 0 GFAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)c1nscc1Br ZINC000913087439 664322144 /nfs/dbraw/zinc/32/21/44/664322144.db2.gz SPQPWANKBIGXTN-ZWNOBZJWSA-N 0 0 385.287 2.516 10 0 GFAERN Cc1ccc([C@]2(O)O[C@](O)(C(C)C)[C@]3(C(=O)Nc4ccccc4)O[C@@]32C)cc1 ZINC000504203598 231297775 /nfs/dbraw/zinc/29/77/75/231297775.db2.gz HYVLCXKDGXVCHF-CBPXPLCBSA-N 0 0 383.444 2.681 10 0 GFAERN COc1ccc(CNC(=O)Cc2sc(NC3CCCCC3)nc2O)cc1 ZINC000017084671 210204473 /nfs/dbraw/zinc/20/44/73/210204473.db2.gz VZQNWPCTZYSUSN-INIZCTEOSA-N 0 0 375.494 2.622 10 0 GFAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC(c2ccnc(-c3ccccc3)n2)CC1 ZINC000014981143 210138031 /nfs/dbraw/zinc/13/80/31/210138031.db2.gz OERJHHCZAFZADL-FQEVSTJZSA-N 0 0 378.476 2.861 10 0 GFAERN COc1ccc2c(C)nc(N3CCC(C(=O)N4C[C@@H](C)O[C@@H](C)C4)CC3)nc2c1 ZINC000014879425 210130019 /nfs/dbraw/zinc/13/00/19/210130019.db2.gz UAKFYLNZIPAMIS-GASCZTMLSA-N 0 0 398.507 2.799 10 0 GFAERN Cc1ccc2c(c1)CCCN2C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000014423199 210118232 /nfs/dbraw/zinc/11/82/32/210118232.db2.gz AVLOGYZYJWSUOE-UHFFFAOYSA-N 0 0 376.453 2.734 10 0 GFAERN CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000012439728 209957157 /nfs/dbraw/zinc/95/71/57/209957157.db2.gz IWOHIUKPAZIBHF-CQSZACIVSA-N 0 0 375.425 2.681 10 0 GFAERN C[C@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)N(C)c3ccccc3)c2)C1=O ZINC000012005218 209899782 /nfs/dbraw/zinc/89/97/82/209899782.db2.gz YPDYKPRPITVMMT-LBPRGKRZSA-N 0 0 392.864 2.929 10 0 GFAERN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)C1=O ZINC000012021531 209899870 /nfs/dbraw/zinc/89/98/70/209899870.db2.gz XLUNXSKBINLDFJ-KBPBESRZSA-N 0 0 384.457 2.591 10 0 GFAERN NC(=O)C1CCN(C(=O)Cc2csc(SCc3ccc(F)cc3)n2)CC1 ZINC000008854235 209804094 /nfs/dbraw/zinc/80/40/94/209804094.db2.gz VOZVPBQTLNEGSI-UHFFFAOYSA-N 0 0 393.509 2.841 10 0 GFAERN COc1cc([C@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC ZINC000001575140 209333460 /nfs/dbraw/zinc/33/34/60/209333460.db2.gz ZGLXUQQMLLIKAN-CAYVGHNUSA-N 0 0 398.411 2.918 10 0 GFAERN O=S(=O)(c1ccccc1)N1CCC[C@H](c2nnc(Br)s2)C1 ZINC000026438926 209189745 /nfs/dbraw/zinc/18/97/45/209189745.db2.gz QBYBBZZSMNUFLF-JTQLQIEISA-N 0 0 388.312 2.869 10 0 GFAERN CC(C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2[nH]1 ZINC000334161786 209178210 /nfs/dbraw/zinc/17/82/10/209178210.db2.gz IHYMMYSDSFITCF-OAQYLSRUSA-N 0 0 393.491 2.902 10 0 GFAERN Cc1c2nc(C)nc(Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)c2nn1C ZINC000041070253 211393095 /nfs/dbraw/zinc/39/30/95/211393095.db2.gz BMPMEDRUXFGHOB-INIZCTEOSA-N 0 0 380.452 2.633 10 0 GFAERN Cc1nc(CN2CCOC[C@@]3(C[C@H](CNc4ncccc4F)CO3)C2)cs1 ZINC000096240478 211322412 /nfs/dbraw/zinc/32/24/12/211322412.db2.gz HXXHTSRZZUJUHL-DNVCBOLYSA-N 0 0 392.500 2.705 10 0 GFAERN COc1ccc(CS(=O)(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000095076380 211218488 /nfs/dbraw/zinc/21/84/88/211218488.db2.gz ZQIKUXCTVZSSCH-HNNXBMFYSA-N 0 0 384.498 2.514 10 0 GFAERN Cc1ccc2[nH]c(CCC(=O)N3CCc4c(ncnc4N(C)C)C3)nc2c1C ZINC000072145333 211076676 /nfs/dbraw/zinc/07/66/76/211076676.db2.gz SKSYQTSNQYNECE-UHFFFAOYSA-N 0 0 378.480 2.553 10 0 GFAERN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)NC[C@H]3CCCO3)sc12 ZINC000065293990 210985843 /nfs/dbraw/zinc/98/58/43/210985843.db2.gz JLNGQNMLVIVKFA-MRXNPFEDSA-N 0 0 399.520 2.830 10 0 GFAERN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000049738706 210865678 /nfs/dbraw/zinc/86/56/78/210865678.db2.gz DXOLCANZVRVISE-CQSZACIVSA-N 0 0 399.472 2.902 10 0 GFAERN COc1ccc([C@@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)NC2CC2)c(OC)c1 ZINC000036060641 210708228 /nfs/dbraw/zinc/70/82/28/210708228.db2.gz MXRGMZSCILQDIU-DLBZAZTESA-N 0 0 389.496 2.506 10 0 GFAERN COc1ccc([C@H]2Oc3c(I)cccc3C(=O)[C@@H]2O)cc1 ZINC000033814990 210653932 /nfs/dbraw/zinc/65/39/32/210653932.db2.gz HHCSWSJSNPRGHR-LSDHHAIUSA-N 0 0 396.180 2.977 10 0 GFAERN CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1 ZINC000033415739 210648108 /nfs/dbraw/zinc/64/81/08/210648108.db2.gz ZOGNWHHXIJTAOD-YFHOEESVSA-N 0 0 395.531 2.525 10 0 GFAERN COc1ccc(-c2noc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000021522472 210384184 /nfs/dbraw/zinc/38/41/84/210384184.db2.gz ZZUBQSGNAABYRW-UHFFFAOYSA-N 0 0 394.431 2.796 10 0 GFAERN Cc1cccc(C2=NC(=O)[C@](NC(=O)c3ccc(F)cc3)(C(F)(F)F)N2)c1 ZINC000020408044 210332066 /nfs/dbraw/zinc/33/20/66/210332066.db2.gz OVJYQKQTGBMMLH-KRWDZBQOSA-N 0 0 379.313 2.699 10 0 GFAERN CCn1c(N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc(=O)n(C)c1=O ZINC000065023975 136158798 /nfs/dbraw/zinc/15/87/98/136158798.db2.gz QLXGESPVRHDRMA-KRWDZBQOSA-N 0 0 398.507 2.545 10 0 GFAERN O=C(CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCCc1ccccn1 ZINC000065245213 136161518 /nfs/dbraw/zinc/16/15/18/136161518.db2.gz GKOITVYSWDQAIF-QGZVFWFLSA-N 0 0 394.523 2.801 10 0 GFAERN CCc1ccc(-c2noc(CCC(=O)N(CC)CC(=O)NC(C)(C)C)n2)cc1 ZINC000028014673 221666406 /nfs/dbraw/zinc/66/64/06/221666406.db2.gz UISZAOXIJGBTKC-UHFFFAOYSA-N 0 0 386.496 2.995 10 0 GFAERN CCOC(=O)c1nc2onc(-c3ccccc3Cl)c2c(N2CCOCC2)n1 ZINC000064960362 535731565 /nfs/dbraw/zinc/73/15/65/535731565.db2.gz KYKQQLZREJSTON-UHFFFAOYSA-N 0 0 388.811 2.952 10 0 GFAERN CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC000028490165 551124615 /nfs/dbraw/zinc/12/46/15/551124615.db2.gz QAZIQZSLNVLAFZ-CHWSQXEVSA-N 0 0 388.917 2.620 10 0 GFAERN O=C(CCSCc1ccccn1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000066410464 551187150 /nfs/dbraw/zinc/18/71/50/551187150.db2.gz ARJMXJMXZIMPLG-INIZCTEOSA-N 0 0 376.503 2.740 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)NCCOc3ccc(Br)cc3)C2)cn1 ZINC000116425337 551213125 /nfs/dbraw/zinc/21/31/25/551213125.db2.gz OMCPUWLOQMUGHT-CYBMUJFWSA-N 0 0 393.285 2.761 10 0 GFAERN C[C@H](NC(=O)c1cc(F)c(F)cc1I)[C@@H]1CCCO1 ZINC000121191750 551229177 /nfs/dbraw/zinc/22/91/77/551229177.db2.gz XHQBJCMTJGLVHK-MADCSZMMSA-N 0 0 381.160 2.867 10 0 GFAERN O=C(N[C@@H]1COc2ccccc21)c1ccc(Br)cc1-n1cncn1 ZINC000121444929 551234963 /nfs/dbraw/zinc/23/49/63/551234963.db2.gz MHIDEOCDNALVQU-CQSZACIVSA-N 0 0 385.221 2.893 10 0 GFAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121845818 551243940 /nfs/dbraw/zinc/24/39/40/551243940.db2.gz TWLJZORGNKVVCX-BMIGLBTASA-N 0 0 379.450 2.512 10 0 GFAERN CN(C(=O)Cc1ccccc1Br)[C@H]1CCCN(c2cccnn2)C1 ZINC000122105730 551294431 /nfs/dbraw/zinc/29/44/31/551294431.db2.gz XJFSMGNUKYBPBY-HNNXBMFYSA-N 0 0 389.297 2.909 10 0 GFAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123115870 551302937 /nfs/dbraw/zinc/30/29/37/551302937.db2.gz PLAZCFOYUDEWPE-DIFFPNOSSA-N 0 0 399.260 2.680 10 0 GFAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123386605 551306302 /nfs/dbraw/zinc/30/63/02/551306302.db2.gz AVZURNSQMIMWPI-PXAZEXFGSA-N 0 0 381.270 2.541 10 0 GFAERN CSc1nsc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)n1 ZINC000127132503 551337230 /nfs/dbraw/zinc/33/72/30/551337230.db2.gz YOBXJFRTNXBZAE-LLVKDONJSA-N 0 0 386.449 2.931 10 0 GFAERN Cc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000128289272 551348778 /nfs/dbraw/zinc/34/87/78/551348778.db2.gz VQWMAEYRAJTCFR-CQSZACIVSA-N 0 0 397.294 2.995 10 0 GFAERN C[C@H](CNC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1)N1CCOCC1 ZINC000129392715 551356750 /nfs/dbraw/zinc/35/67/50/551356750.db2.gz UKLWYSKGTURIGD-QWHCGFSZSA-N 0 0 387.293 2.604 10 0 GFAERN Cc1nc(C[C@H]2CCCN(C(=O)c3ccc(C)nc3Br)C2)no1 ZINC000130408259 551364865 /nfs/dbraw/zinc/36/48/65/551364865.db2.gz GNLQAIOEGRABGF-GFCCVEGCSA-N 0 0 379.258 2.939 10 0 GFAERN O=C(NCCN1C(=O)CCC1=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000133131792 551381819 /nfs/dbraw/zinc/38/18/19/551381819.db2.gz YXSBXHNBDAQAHZ-GXFFZTMASA-N 0 0 384.263 2.545 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1cc(Cl)ccc1Br)CC2 ZINC000133578114 551383871 /nfs/dbraw/zinc/38/38/71/551383871.db2.gz OOSNNBZQYJWUMQ-LBPRGKRZSA-N 0 0 397.704 2.930 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C[C@@H](C)O1 ZINC000151320471 551411568 /nfs/dbraw/zinc/41/15/68/551411568.db2.gz DMWNMDGAGZJGMV-RKDXNWHRSA-N 0 0 375.650 2.677 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3ccc(C)nc3Br)CCO2)c1 ZINC000151438768 551413753 /nfs/dbraw/zinc/41/37/53/551413753.db2.gz VEUUZDOFVIRKMS-CYBMUJFWSA-N 0 0 394.273 2.590 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1O)c1ccc(I)c(Cl)c1 ZINC000152090197 551425690 /nfs/dbraw/zinc/42/56/90/551425690.db2.gz GIQGFIKHCZDBFJ-NWDGAFQWSA-N 0 0 379.625 2.978 10 0 GFAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H](C)c2cccc(Br)c2)c1 ZINC000154135188 551468492 /nfs/dbraw/zinc/46/84/92/551468492.db2.gz WJWXYHVJPJLRKP-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(Br)c1C ZINC000155279166 551496262 /nfs/dbraw/zinc/49/62/62/551496262.db2.gz AOWZKZVTYXEBBQ-ZDUSSCGKSA-N 0 0 379.258 2.760 10 0 GFAERN O=S(=O)(c1cc(F)ccc1Br)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000155386078 551499020 /nfs/dbraw/zinc/49/90/20/551499020.db2.gz NRBKERBIZHWILH-QWHCGFSZSA-N 0 0 378.263 2.920 10 0 GFAERN Cc1cccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1Br ZINC000156218215 551517917 /nfs/dbraw/zinc/51/79/17/551517917.db2.gz BSEKDSIBWIITIQ-GFCCVEGCSA-N 0 0 384.299 2.669 10 0 GFAERN C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CCS1 ZINC000156564401 551525217 /nfs/dbraw/zinc/52/52/17/551525217.db2.gz OVJOHRWQDXYDJE-COXVUDFISA-N 0 0 383.945 2.859 10 0 GFAERN CC1(C)NC(=O)N(CC(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1=O ZINC000156651939 551526744 /nfs/dbraw/zinc/52/67/44/551526744.db2.gz RIPWOOOVIFTLIL-JOYOIKCWSA-N 0 0 384.263 2.544 10 0 GFAERN C[C@@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@H]1CCCO1 ZINC000156831980 551528693 /nfs/dbraw/zinc/52/86/93/551528693.db2.gz ORBFPACONWVSHN-IAQYHMDHSA-N 0 0 389.265 2.660 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(Br)c1 ZINC000157272903 551536026 /nfs/dbraw/zinc/53/60/26/551536026.db2.gz BONFYBCDIWECIE-ZDUSSCGKSA-N 0 0 394.273 2.521 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1c[nH]c3cccc(Br)c13)CC2 ZINC000159251835 551562539 /nfs/dbraw/zinc/56/25/39/551562539.db2.gz ALKXFTGWENPTPH-JTQLQIEISA-N 0 0 388.269 2.829 10 0 GFAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)co1 ZINC000159266201 551563054 /nfs/dbraw/zinc/56/30/54/551563054.db2.gz AQCCXIHVMBVNIO-QMMMGPOBSA-N 0 0 377.249 2.986 10 0 GFAERN Cn1nccc1C1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000159332678 551563512 /nfs/dbraw/zinc/56/35/12/551563512.db2.gz RFAVCSVRKVPSTB-UHFFFAOYSA-N 0 0 390.328 2.812 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(F)cc3Br)CCO2)[nH]1 ZINC000162557467 551609788 /nfs/dbraw/zinc/60/97/88/551609788.db2.gz FWCVSXMGKNWIAW-LBPRGKRZSA-N 0 0 398.236 2.874 10 0 GFAERN Cc1nnc([C@@H]2CN(Cc3cc(Br)cc4cccnc43)CCO2)[nH]1 ZINC000163852128 551622429 /nfs/dbraw/zinc/62/24/29/551622429.db2.gz FNWFIQDINHFVPX-HNNXBMFYSA-N 0 0 388.269 2.997 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000171070715 551645793 /nfs/dbraw/zinc/64/57/93/551645793.db2.gz XTQBEWFUGWRBGN-YGRLFVJLSA-N 0 0 391.320 2.919 10 0 GFAERN Cc1nc(C[C@H]2CCCN(C(=O)c3cc(Br)ccc3O)C2)no1 ZINC000171242536 551650902 /nfs/dbraw/zinc/65/09/02/551650902.db2.gz NOMZPRAGRDWBOD-LLVKDONJSA-N 0 0 380.242 2.941 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171399684 551654263 /nfs/dbraw/zinc/65/42/63/551654263.db2.gz ORYJITZLMNXSFQ-OAHLLOKOSA-N 0 0 391.269 2.793 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(Br)cc2F)cn1 ZINC000171396382 551654658 /nfs/dbraw/zinc/65/46/58/551654658.db2.gz AKWFVCZUEOKPGV-CQSZACIVSA-N 0 0 395.232 2.624 10 0 GFAERN O=S(=O)(c1cc(Br)c(F)cc1F)N1CCN2CCCC[C@@H]2C1 ZINC000171419150 551654945 /nfs/dbraw/zinc/65/49/45/551654945.db2.gz OPNHKOMORIIPQA-SNVBAGLBSA-N 0 0 395.269 2.586 10 0 GFAERN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171525948 551657714 /nfs/dbraw/zinc/65/77/14/551657714.db2.gz FRFOVGIDTWPGBG-INIZCTEOSA-N 0 0 382.295 2.880 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Cc1ccccc1Br)CC2 ZINC000171557549 551657991 /nfs/dbraw/zinc/65/79/91/551657991.db2.gz RCFDCACKZLYZIT-CYBMUJFWSA-N 0 0 377.286 2.838 10 0 GFAERN C[C@H]1CN(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)CCS1 ZINC000171733917 551662072 /nfs/dbraw/zinc/66/20/72/551662072.db2.gz LIDHDEAEEKLLCQ-WMLDXEAASA-N 0 0 383.945 2.860 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(Br)cn2CC)C1 ZINC000171816449 551664622 /nfs/dbraw/zinc/66/46/22/551664622.db2.gz VSPXWWNYJWFFQB-LBPRGKRZSA-N 0 0 380.290 2.902 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)C2)n1 ZINC000173075822 551694824 /nfs/dbraw/zinc/69/48/24/551694824.db2.gz AJXLSEBIVYPAHL-SNVBAGLBSA-N 0 0 382.283 2.922 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3cc(Br)cn3C(C)C)CCO2)[nH]1 ZINC000173093709 551695967 /nfs/dbraw/zinc/69/59/67/551695967.db2.gz NKCNHNWOPIZMEQ-CYBMUJFWSA-N 0 0 396.289 2.726 10 0 GFAERN C[C@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@@H]1N1CCOCC1 ZINC000173846044 552094034 /nfs/dbraw/zinc/09/40/34/552094034.db2.gz CQQUCINKYVTPCV-WFASDCNBSA-N 0 0 387.343 2.622 10 0 GFAERN COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000175378905 552120446 /nfs/dbraw/zinc/12/04/46/552120446.db2.gz CVIAEOVFNIEHKS-CYBMUJFWSA-N 0 0 384.454 2.985 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000175676075 552126870 /nfs/dbraw/zinc/12/68/70/552126870.db2.gz ADTKILKJIYWYHP-GFCCVEGCSA-N 0 0 384.271 2.535 10 0 GFAERN Cc1cc(I)ccc1NC(=O)N[C@H]1CCCn2ncnc21 ZINC000175863786 552130324 /nfs/dbraw/zinc/13/03/24/552130324.db2.gz LEYVEQIDEFEHNJ-LBPRGKRZSA-N 0 0 397.220 2.848 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000175859124 552130357 /nfs/dbraw/zinc/13/03/57/552130357.db2.gz FYVYQLKWNBHIOG-KBPBESRZSA-N 0 0 384.267 2.761 10 0 GFAERN CS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000176219830 552136439 /nfs/dbraw/zinc/13/64/39/552136439.db2.gz XFESSBJRGUXOOT-HNNXBMFYSA-N 0 0 379.507 2.983 10 0 GFAERN COc1cc(Br)c(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1Cl ZINC000176829679 552146685 /nfs/dbraw/zinc/14/66/85/552146685.db2.gz HJXSRFICYJHNMF-KCJUWKMLSA-N 0 0 398.706 2.957 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Cl)c2ncccc12 ZINC000177004200 552149326 /nfs/dbraw/zinc/14/93/26/552149326.db2.gz NAJWWGNXYXITQJ-CYBMUJFWSA-N 0 0 377.857 2.602 10 0 GFAERN C[C@H](N1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000178268093 552167877 /nfs/dbraw/zinc/16/78/77/552167877.db2.gz PJSQCPNQXYVGAC-BBRMVZONSA-N 0 0 380.838 2.786 10 0 GFAERN CCc1nnc(CS(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)n1C ZINC000180051563 552210971 /nfs/dbraw/zinc/21/09/71/552210971.db2.gz QODXKPDHAPULAM-UHFFFAOYSA-N 0 0 380.857 2.801 10 0 GFAERN CCCc1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)n(C)n1 ZINC000180574779 552230060 /nfs/dbraw/zinc/23/00/60/552230060.db2.gz RWCAEXRLNRTQEY-NSHDSACASA-N 0 0 393.285 2.951 10 0 GFAERN C[C@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000181016056 552243109 /nfs/dbraw/zinc/24/31/09/552243109.db2.gz JIEZMUQHWIBJIT-QMMMGPOBSA-N 0 0 388.230 2.646 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCc1ccccc1Br)CC2 ZINC000181533534 552260157 /nfs/dbraw/zinc/26/01/57/552260157.db2.gz YXIYECCUCWTIAV-ZDUSSCGKSA-N 0 0 392.301 2.978 10 0 GFAERN COC[C@H](C)C(=O)Nc1ncc(Br)cc1I ZINC000181756466 552267086 /nfs/dbraw/zinc/26/70/86/552267086.db2.gz VYSFZYRCVFFDHH-LURJTMIESA-N 0 0 399.026 2.670 10 0 GFAERN Cc1cc(N2CCC[C@@H](N[C@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000182349897 552281243 /nfs/dbraw/zinc/28/12/43/552281243.db2.gz MBZYKLQKULSESX-GHMZBOCLSA-N 0 0 398.330 2.794 10 0 GFAERN C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000183436454 552309106 /nfs/dbraw/zinc/30/91/06/552309106.db2.gz JMIMLHJIJBVVED-WDEREUQCSA-N 0 0 394.324 2.730 10 0 GFAERN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000183592346 552314023 /nfs/dbraw/zinc/31/40/23/552314023.db2.gz NKUOTAQWTOLEHR-BLLLJJGKSA-N 0 0 384.263 2.805 10 0 GFAERN O=C(CNC(=O)N1CCc2sccc2[C@@H]1c1cccs1)NCC1CC1 ZINC000183800308 552319798 /nfs/dbraw/zinc/31/97/98/552319798.db2.gz AQPPYKNUODHWGW-QGZVFWFLSA-N 0 0 375.519 2.993 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3cccc(Br)c3Cl)CCO2)[nH]1 ZINC000184075427 552326755 /nfs/dbraw/zinc/32/67/55/552326755.db2.gz JGOHBKAQWGLHED-NSHDSACASA-N 0 0 399.676 2.997 10 0 GFAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000184155795 552328484 /nfs/dbraw/zinc/32/84/84/552328484.db2.gz VAVCASDYTBEUGO-GXTWGEPZSA-N 0 0 376.507 2.970 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(Br)nc2)C12CCOCC2 ZINC000184526976 552337351 /nfs/dbraw/zinc/33/73/51/552337351.db2.gz LLCPWOMRMAQTHE-QWHCGFSZSA-N 0 0 384.274 2.940 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)Nc2cncc(Br)c2)C12CCOCC2 ZINC000184572987 552338727 /nfs/dbraw/zinc/33/87/27/552338727.db2.gz VUZQHNSRZAIXDN-KBPBESRZSA-N 0 0 384.274 2.940 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Br)cc1F ZINC000185031793 552351675 /nfs/dbraw/zinc/35/16/75/552351675.db2.gz DIFIBKCOCQNAIY-VIFPVBQESA-N 0 0 396.278 2.939 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)C12CCOCC2 ZINC000185146796 552355114 /nfs/dbraw/zinc/35/51/14/552355114.db2.gz PDPWGNFMEULYHV-JKSUJKDBSA-N 0 0 391.892 2.873 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1ccc(C)cc1Br)CC2 ZINC000185422482 552363498 /nfs/dbraw/zinc/36/34/98/552363498.db2.gz HZTGWVDTALEPMB-AWEZNQCLSA-N 0 0 391.313 2.975 10 0 GFAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1Cl ZINC000186296571 552384406 /nfs/dbraw/zinc/38/44/06/552384406.db2.gz DHTSLHPVZKXYHC-KBPBESRZSA-N 0 0 378.881 2.883 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(Br)cn2CC)C12CCOCC2 ZINC000187124064 552406978 /nfs/dbraw/zinc/40/69/78/552406978.db2.gz JXPFLJSBLFXWAK-HUUCEWRRSA-N 0 0 385.302 2.975 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(OC2COC2)cc1)c1ccc(Cl)s1 ZINC000187309344 552412069 /nfs/dbraw/zinc/41/20/69/552412069.db2.gz LMBNUQGUEINRPB-JTQLQIEISA-N 0 0 380.853 2.995 10 0 GFAERN COc1cc(Br)ccc1CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000187591027 552419834 /nfs/dbraw/zinc/41/98/34/552419834.db2.gz KELDHXVWYHDNIH-CYBMUJFWSA-N 0 0 393.285 2.890 10 0 GFAERN COC(=O)CN(Cc1c(C)nn(C)c1OC)Cc1cccc(Br)c1 ZINC000188018900 552431721 /nfs/dbraw/zinc/43/17/21/552431721.db2.gz CUERHSOOLUBPSX-UHFFFAOYSA-N 0 0 396.285 2.675 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000188132297 552435922 /nfs/dbraw/zinc/43/59/22/552435922.db2.gz WLBPYLDCEFJLER-CQSZACIVSA-N 0 0 379.258 2.872 10 0 GFAERN O=C(CCCOc1ccccc1Br)N1CC(NC(=O)C2CCC2)C1 ZINC000188556496 552448112 /nfs/dbraw/zinc/44/81/12/552448112.db2.gz DMYRRLSHZPDCTO-UHFFFAOYSA-N 0 0 395.297 2.735 10 0 GFAERN O=S(=O)(c1ccccc1OC(F)F)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188876760 552457364 /nfs/dbraw/zinc/45/73/64/552457364.db2.gz LFVIQEDHIOEJDQ-STQMWFEESA-N 0 0 389.445 2.746 10 0 GFAERN Cc1ccc(Br)nc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000189072441 552462598 /nfs/dbraw/zinc/46/25/98/552462598.db2.gz CVRJXNAGPOIQSY-GFCCVEGCSA-N 0 0 395.278 2.801 10 0 GFAERN COc1cc(CN2CCCNC(=O)[C@@H]2C)cc(Br)c1OC(F)F ZINC000189098950 552463069 /nfs/dbraw/zinc/46/30/69/552463069.db2.gz WGQUMUYLFBPSKM-VIFPVBQESA-N 0 0 393.228 2.770 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000189186322 552465611 /nfs/dbraw/zinc/46/56/11/552465611.db2.gz AVGFIYXGLKSDBO-CMPLNLGQSA-N 0 0 392.264 2.836 10 0 GFAERN Cc1cc(C(=O)N2CCCNC(=O)[C@@H]2C)c2cc(Br)ccc2n1 ZINC000189253115 552467067 /nfs/dbraw/zinc/46/70/67/552467067.db2.gz DCJLEHJLKXLTLT-NSHDSACASA-N 0 0 376.254 2.656 10 0 GFAERN Cc1nc(CC2CC2)sc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000190011536 552485035 /nfs/dbraw/zinc/48/50/35/552485035.db2.gz DWNVAFXLPAAOOH-SNVBAGLBSA-N 0 0 379.507 2.542 10 0 GFAERN CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1)CC2 ZINC000190577257 552501774 /nfs/dbraw/zinc/50/17/74/552501774.db2.gz BJOISCLRLBEQCN-MEDUHNTESA-N 0 0 383.279 2.966 10 0 GFAERN Cc1ccc(Br)nc1C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000191241683 552521959 /nfs/dbraw/zinc/52/19/59/552521959.db2.gz IZTMIJOHTAARHM-UHFFFAOYSA-N 0 0 390.285 2.684 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CCO2)cn1 ZINC000191753051 552537016 /nfs/dbraw/zinc/53/70/16/552537016.db2.gz VTMVEPXMTJXHMO-JKSUJKDBSA-N 0 0 384.263 2.843 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000191783256 552538050 /nfs/dbraw/zinc/53/80/50/552538050.db2.gz XKMIWRFMIBZSCP-GHMZBOCLSA-N 0 0 380.293 2.796 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@@H]1N1CCOCC1 ZINC000192138872 552553080 /nfs/dbraw/zinc/55/30/80/552553080.db2.gz CNNBTVHPLLNCPU-BONVTDFDSA-N 0 0 389.240 2.520 10 0 GFAERN CCN(C(=O)N[C@H](C)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000193334848 552990728 /nfs/dbraw/zinc/99/07/28/552990728.db2.gz GVSVQTNCYQBCJO-BXUZGUMPSA-N 0 0 389.315 2.729 10 0 GFAERN CC(C)(C)c1nnc(NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000193646817 552999193 /nfs/dbraw/zinc/99/91/93/552999193.db2.gz HWPRPVKTGCSCRF-NSHDSACASA-N 0 0 380.495 2.876 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2Cc3cc(Br)ccc3O2)cn1 ZINC000194257824 553015874 /nfs/dbraw/zinc/01/58/74/553015874.db2.gz MQLCTQKPNDMCGO-HOCLYGCPSA-N 0 0 376.254 2.850 10 0 GFAERN CC(C)c1nnc(C[S@](=O)Cc2cn3cc(Br)ccc3n2)n1C ZINC000194268137 553016044 /nfs/dbraw/zinc/01/60/44/553016044.db2.gz RTELSVHLYYWKTK-HSZRJFAPSA-N 0 0 396.314 2.798 10 0 GFAERN CCn1c(C)nnc1CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000194685321 553026892 /nfs/dbraw/zinc/02/68/92/553026892.db2.gz SRYYZBWFZWPZFZ-INIZCTEOSA-N 0 0 382.251 2.880 10 0 GFAERN O=C(N[C@H]1CCC[C@@H](O)C1)c1cc(Cl)ccc1I ZINC000225899596 553061052 /nfs/dbraw/zinc/06/10/52/553061052.db2.gz NNMJSGGGTIRALW-VHSXEESVSA-N 0 0 379.625 2.978 10 0 GFAERN CC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCN1C[C@H](C)O ZINC000245775256 553096794 /nfs/dbraw/zinc/09/67/94/553096794.db2.gz AJHOXSCPYKSRJO-JSGCOSHPSA-N 0 0 395.352 2.600 10 0 GFAERN C[C@@H](C[C@@H](O)c1cccs1)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000246698287 553112234 /nfs/dbraw/zinc/11/22/34/553112234.db2.gz MSOYLGPMIANUHT-FLTUCWPJSA-N 0 0 385.551 2.875 10 0 GFAERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246968003 553116370 /nfs/dbraw/zinc/11/63/70/553116370.db2.gz QATNMDIVUDZEFW-VNHYZAJKSA-N 0 0 387.307 2.940 10 0 GFAERN COc1cc(Cl)c(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cc1Cl ZINC000246987768 553116746 /nfs/dbraw/zinc/11/67/46/553116746.db2.gz AUSBXTGLZRXGPB-NSHDSACASA-N 0 0 379.309 2.861 10 0 GFAERN CCOCCN1CCN([C@H](C)C(=O)Nc2ccccc2Br)C[C@H]1C ZINC000247880475 553126265 /nfs/dbraw/zinc/12/62/65/553126265.db2.gz ZHANUJVJODYNNE-HUUCEWRRSA-N 0 0 398.345 2.819 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Cl)cc1 ZINC000248378143 553128942 /nfs/dbraw/zinc/12/89/42/553128942.db2.gz ISLGJMAUFGXUSP-JTQLQIEISA-N 0 0 378.837 2.605 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)c2cccc(Br)c2Cl)C[C@H]1C ZINC000248571292 553131435 /nfs/dbraw/zinc/13/14/35/553131435.db2.gz OIANBLZEZXYCJZ-MNOVXSKESA-N 0 0 375.694 2.630 10 0 GFAERN CCn1cc([C@H]2CN(C[C@@H](O)c3cccc(Br)c3)CCO2)cn1 ZINC000248798694 553134876 /nfs/dbraw/zinc/13/48/76/553134876.db2.gz POJRVNFYLQUWBS-IAGOWNOFSA-N 0 0 380.286 2.772 10 0 GFAERN O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000252734017 553150086 /nfs/dbraw/zinc/15/00/86/553150086.db2.gz XUZWRMKGJGPRCT-ANRSDYALSA-N 0 0 385.354 2.698 10 0 GFAERN NCc1nc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)no1 ZINC000262231032 553167607 /nfs/dbraw/zinc/16/76/07/553167607.db2.gz NXCYLRYZFMSILW-CYBMUJFWSA-N 0 0 384.267 2.828 10 0 GFAERN NCc1nc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)no1 ZINC000262227395 553167639 /nfs/dbraw/zinc/16/76/39/553167639.db2.gz NLTPUOWPOYHNSZ-CYBMUJFWSA-N 0 0 384.267 2.828 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262553598 553172530 /nfs/dbraw/zinc/17/25/30/553172530.db2.gz VQIJKVGUUOVCNE-CYBMUJFWSA-N 0 0 399.285 2.549 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000263001997 553180421 /nfs/dbraw/zinc/18/04/21/553180421.db2.gz XGOQTXZNDSPLDM-UHFFFAOYSA-N 0 0 375.288 2.522 10 0 GFAERN O=C1N2CCN(Cc3cccc(OC(F)(F)F)c3)C[C@@H]2CN1C1CCOCC1 ZINC000096269144 560054149 /nfs/dbraw/zinc/05/41/49/560054149.db2.gz MZFDGVCIRUDHGU-MRXNPFEDSA-N 0 0 399.413 2.686 10 0 GFAERN C[C@H](Cc1ccsc1)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000301506275 563405104 /nfs/dbraw/zinc/40/51/04/563405104.db2.gz ZZKYMGWYTNZFQK-GFCCVEGCSA-N 0 0 387.548 2.623 10 0 GFAERN CO[C@@H]1C[C@@H](CO)N(Cc2cc(Cl)ccc2I)C1 ZINC000405310145 563538976 /nfs/dbraw/zinc/53/89/76/563538976.db2.gz SOIJQGKJEHCITL-NWDGAFQWSA-N 0 0 381.641 2.526 10 0 GFAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000366859717 563822358 /nfs/dbraw/zinc/82/23/58/563822358.db2.gz VFRINHFMRWDTCG-XUJVJEKNSA-N 0 0 378.416 2.542 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000186625331 570306252 /nfs/dbraw/zinc/30/62/52/570306252.db2.gz RNRDQKHHFSMATB-UHFFFAOYSA-N 0 0 382.460 2.887 10 0 GFAERN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023847214 570373603 /nfs/dbraw/zinc/37/36/03/570373603.db2.gz BMNQZLFZCQCYLT-UHFFFAOYSA-N 0 0 388.471 2.970 10 0 GFAERN CCn1cnc2c1c1cc(S(=O)(=O)NCc3ccccc3)ccc1oc2=O ZINC000006733206 570557560 /nfs/dbraw/zinc/55/75/60/570557560.db2.gz DYTATVONKBSGLR-UHFFFAOYSA-N 0 0 383.429 2.641 10 0 GFAERN CCOC(=O)CCCSc1ncc(CO)n1Cc1ccc2c(c1)OCO2 ZINC000004382617 570726903 /nfs/dbraw/zinc/72/69/03/570726903.db2.gz RKIQXYZZFWZUMW-UHFFFAOYSA-N 0 0 378.450 2.588 10 0 GFAERN Cn1nc(C(F)(F)F)c(NC(=O)N2CCC[C@@H](n3cncn3)C2)c1Cl ZINC000827928329 660523456 /nfs/dbraw/zinc/52/34/56/660523456.db2.gz WKTFHJMOGJFHPJ-MRVPVSSYSA-N 0 0 377.758 2.553 10 0 GFAERN C[C@H](NC(=O)c1cc(Br)cn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000016263365 654516777 /nfs/dbraw/zinc/51/67/77/654516777.db2.gz ZQRURKZUMHYOBO-JTQLQIEISA-N 0 0 385.283 2.682 10 0 GFAERN COc1ccc(Cl)cc1CC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000021497782 654528002 /nfs/dbraw/zinc/52/80/02/654528002.db2.gz JAHMPXCMYOBLLX-HNNXBMFYSA-N 0 0 379.865 2.926 10 0 GFAERN CN(C)C[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000027150391 654562925 /nfs/dbraw/zinc/56/29/25/654562925.db2.gz DMQVWQPGDOAMDR-KRWDZBQOSA-N 0 0 380.897 2.533 10 0 GFAERN C[C@@H](NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)[C@@H]1CCCO1 ZINC000027903439 654566459 /nfs/dbraw/zinc/56/64/59/654566459.db2.gz KECAUSPOJLLAHG-RISCZKNCSA-N 0 0 379.507 2.612 10 0 GFAERN C[C@@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1cccs1 ZINC000048768079 654712992 /nfs/dbraw/zinc/71/29/92/654712992.db2.gz ZNHMXVSFDAUNJC-YGRLFVJLSA-N 0 0 376.404 2.682 10 0 GFAERN COC(=O)[C@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccccc1 ZINC000123009086 654749916 /nfs/dbraw/zinc/74/99/16/654749916.db2.gz HPYUUYCLKMBPEH-GDBMZVCRSA-N 0 0 390.233 2.956 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)no1 ZINC000123951612 654766883 /nfs/dbraw/zinc/76/68/83/654766883.db2.gz JTIFXVDYNISYQY-LBPRGKRZSA-N 0 0 387.864 2.955 10 0 GFAERN O=C(CNC(=O)N[C@@H]1COc2ccccc21)Nc1ccc(Br)cc1 ZINC000058574776 654820155 /nfs/dbraw/zinc/82/01/55/654820155.db2.gz STAYVPJVMFXAJV-CQSZACIVSA-N 0 0 390.237 2.821 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1c(F)cccc1I ZINC000128649571 654849828 /nfs/dbraw/zinc/84/98/28/654849828.db2.gz PGVMFPIKEFSAMW-CABZTGNLSA-N 0 0 377.197 2.711 10 0 GFAERN COC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000064845059 654876583 /nfs/dbraw/zinc/87/65/83/654876583.db2.gz UAVGUMOEPRBLHK-AWEZNQCLSA-N 0 0 384.251 2.642 10 0 GFAERN Nc1cc(C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)no1 ZINC000065167943 654878776 /nfs/dbraw/zinc/87/87/76/654878776.db2.gz LVZBBFXWPLSIAZ-UHFFFAOYSA-N 0 0 375.372 2.844 10 0 GFAERN C[C@@H](OC(=O)C(C)(C)NS(C)(=O)=O)c1ccc(Br)cc1F ZINC000131206054 654898972 /nfs/dbraw/zinc/89/89/72/654898972.db2.gz QQZRJAYXMBXMIQ-MRVPVSSYSA-N 0 0 382.251 2.520 10 0 GFAERN CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H](C)N1CCOCC1 ZINC000131925910 654922068 /nfs/dbraw/zinc/92/20/68/654922068.db2.gz UPABAGZSILPSDG-GJZGRUSLSA-N 0 0 383.330 2.855 10 0 GFAERN C[C@H](NC(=O)Nc1nnc(C(F)F)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000067586285 654941303 /nfs/dbraw/zinc/94/13/03/654941303.db2.gz DYYIRYXXASRQSD-ZETCQYMHSA-N 0 0 376.410 2.762 10 0 GFAERN CCOC(=O)[C@H](NCCn1cc(C)cn1)c1ccc(Br)cc1F ZINC000132974824 654950413 /nfs/dbraw/zinc/95/04/13/654950413.db2.gz KHWKUOPTSBBFDK-OAHLLOKOSA-N 0 0 384.249 2.987 10 0 GFAERN O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N[C@@H]1CCc2ncnn2C1 ZINC000133648663 654969481 /nfs/dbraw/zinc/96/94/81/654969481.db2.gz WBHYWRQKRYQRFC-LLVKDONJSA-N 0 0 375.845 2.587 10 0 GFAERN COc1cc(Br)ccc1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133865743 654975594 /nfs/dbraw/zinc/97/55/94/654975594.db2.gz VRTXYMWHIZSTRR-LBPRGKRZSA-N 0 0 393.285 2.917 10 0 GFAERN CC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000070709448 654993857 /nfs/dbraw/zinc/99/38/57/654993857.db2.gz FZPJDJVLVAVYJL-CJNGLKHVSA-N 0 0 378.519 2.778 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(F)cc1Br ZINC000070708610 654993864 /nfs/dbraw/zinc/99/38/64/654993864.db2.gz FGUVTGDQRGPSII-GFCCVEGCSA-N 0 0 394.262 2.698 10 0 GFAERN COc1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)sc1Br ZINC000135024202 655007597 /nfs/dbraw/zinc/00/75/97/655007597.db2.gz CEWQIZJYMIDQHY-JTQLQIEISA-N 0 0 397.298 2.708 10 0 GFAERN CC(C)[C@H](NC(=O)NC[C@H](C)Sc1ccc(Br)cc1)C(N)=O ZINC000135160091 655011021 /nfs/dbraw/zinc/01/10/21/655011021.db2.gz SLAQCHIFJPAIQJ-GWCFXTLKSA-N 0 0 388.331 2.739 10 0 GFAERN C[C@H](NC(=O)COc1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000135381204 655015158 /nfs/dbraw/zinc/01/51/58/655015158.db2.gz HLCBGQVDIAKFEJ-NSHDSACASA-N 0 0 379.258 2.633 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(c2cc(Br)cc(F)c2C(N)=O)C1 ZINC000092829567 655015811 /nfs/dbraw/zinc/01/58/11/655015811.db2.gz ZDIUTEFXAZQJCS-NSHDSACASA-N 0 0 386.265 2.572 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cccnc3Br)C2)n1 ZINC000135621748 655022984 /nfs/dbraw/zinc/02/29/84/655022984.db2.gz QMOOTDPZJALWRD-CYBMUJFWSA-N 0 0 378.274 2.605 10 0 GFAERN Cn1nccc1C1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000093917315 655023634 /nfs/dbraw/zinc/02/36/34/655023634.db2.gz PAZKVILMRSQWBP-UHFFFAOYSA-N 0 0 379.873 2.518 10 0 GFAERN Cc1csc([C@H]2CN(CC(=O)Nc3nnc(CC(C)C)s3)CCO2)n1 ZINC000136937302 655036764 /nfs/dbraw/zinc/03/67/64/655036764.db2.gz PASPVFKAXORUCG-GFCCVEGCSA-N 0 0 381.527 2.514 10 0 GFAERN CC(=O)N(c1nn(CN2CCO[C@H](c3nccs3)C2)c(=S)s1)C1CC1 ZINC000152220429 655057258 /nfs/dbraw/zinc/05/72/58/655057258.db2.gz SYCRYYBETJJBSS-LBPRGKRZSA-N 0 0 397.551 2.677 10 0 GFAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2COc3ccccc32)cc1Cl ZINC000104739180 655085187 /nfs/dbraw/zinc/08/51/87/655085187.db2.gz AHUQIJDIZQNKKK-AWEZNQCLSA-N 0 0 384.816 2.850 10 0 GFAERN Cc1noc([C@@H](C)N2CCN(C[C@H](O)c3cccc(Br)c3)CC2)n1 ZINC000106134595 655103819 /nfs/dbraw/zinc/10/38/19/655103819.db2.gz WQVJNQAEPKHGNH-WBMJQRKESA-N 0 0 395.301 2.553 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)c3sccc3Br)CC2)nn1 ZINC000107251085 655119077 /nfs/dbraw/zinc/11/90/77/655119077.db2.gz AIPYPVXORVMKEJ-UHFFFAOYSA-N 0 0 381.299 2.962 10 0 GFAERN CSc1nc2ncnc(N3CCO[C@@H](Cn4nc(C)cc4C)C3)c2s1 ZINC000108950942 655139701 /nfs/dbraw/zinc/13/97/01/655139701.db2.gz ADSMZGGIJHKKDF-GFCCVEGCSA-N 0 0 376.511 2.527 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)CSC[C@H]3CCCCO3)CC2)cs1 ZINC000109649513 655149889 /nfs/dbraw/zinc/14/98/89/655149889.db2.gz XGQGDWGCSXCRIV-QGZVFWFLSA-N 0 0 383.583 2.788 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000109666789 655150065 /nfs/dbraw/zinc/15/00/65/655150065.db2.gz XFODCRFBEMULGG-UHFFFAOYSA-N 0 0 382.295 2.642 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2ccc(Cl)nc2)CC1 ZINC000109666408 655150225 /nfs/dbraw/zinc/15/02/25/655150225.db2.gz QBDUSBDHFUTVRD-UHFFFAOYSA-N 0 0 382.295 2.642 10 0 GFAERN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110886313 655161223 /nfs/dbraw/zinc/16/12/23/655161223.db2.gz XNPVMEBTSBMSJI-TZMCWYRMSA-N 0 0 379.507 2.559 10 0 GFAERN CC[S@@](=O)c1ccccc1C(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000110940731 655162179 /nfs/dbraw/zinc/16/21/79/655162179.db2.gz OVWVWGWWUWYXOU-VWLOTQADSA-N 0 0 377.535 2.537 10 0 GFAERN CC(=O)N[C@H]1CCCN(Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000111163290 655165827 /nfs/dbraw/zinc/16/58/27/655165827.db2.gz MEULVZRZGJHERW-INIZCTEOSA-N 0 0 392.301 2.574 10 0 GFAERN Cc1ncc(CN2CCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)s1 ZINC000111165216 655165845 /nfs/dbraw/zinc/16/58/45/655165845.db2.gz UHGQNWVRBYNVLE-UHFFFAOYSA-N 0 0 378.885 2.788 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000173401878 655169982 /nfs/dbraw/zinc/16/99/82/655169982.db2.gz VQDLXHMOGNEBLA-ABAIWWIYSA-N 0 0 387.705 2.895 10 0 GFAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Br)cs2)ncn1 ZINC000173441302 655172805 /nfs/dbraw/zinc/17/28/05/655172805.db2.gz NWACWTPLYYDQHH-NSHDSACASA-N 0 0 396.314 2.741 10 0 GFAERN Cc1cnn(C[C@H]2CN(Cc3ccc(I)cc3)CCO2)c1 ZINC000173695981 655176461 /nfs/dbraw/zinc/17/64/61/655176461.db2.gz YAXPHSGYQIBSNZ-MRXNPFEDSA-N 0 0 397.260 2.697 10 0 GFAERN COc1ccc(Br)c(NC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111746200 655176927 /nfs/dbraw/zinc/17/69/27/655176927.db2.gz QWAIEZOIEKCCEO-ZDUSSCGKSA-N 0 0 395.257 2.587 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3sccc3Br)CC2)n1 ZINC000112035632 655180995 /nfs/dbraw/zinc/18/09/95/655180995.db2.gz IKMUDBVTLWQRGT-JTQLQIEISA-N 0 0 399.314 2.975 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000114667961 655226937 /nfs/dbraw/zinc/22/69/37/655226937.db2.gz PNKQFZKDQONFCV-CYBMUJFWSA-N 0 0 376.425 2.739 10 0 GFAERN C[C@H]1CN([C@@H](CNC(=O)CSc2ccncc2)c2cccs2)CCO1 ZINC000176601044 655250819 /nfs/dbraw/zinc/25/08/19/655250819.db2.gz QXLRHKDAEIHGFL-HOCLYGCPSA-N 0 0 377.535 2.813 10 0 GFAERN CCc1csc([C@@H]2CCCN(S(=O)(=O)CC3(CC(=O)OC)CC3)C2)n1 ZINC000176709515 655253335 /nfs/dbraw/zinc/25/33/35/655253335.db2.gz VOBMYENYZKCHJS-CYBMUJFWSA-N 0 0 386.539 2.558 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cc(Br)ccc1Cl ZINC000176747368 655254909 /nfs/dbraw/zinc/25/49/09/655254909.db2.gz QCDGUDCCYPSVPY-JTQLQIEISA-N 0 0 391.678 2.507 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(Br)cc1Cl ZINC000176749288 655254965 /nfs/dbraw/zinc/25/49/65/655254965.db2.gz GXNRDMBYWWWZGM-JTQLQIEISA-N 0 0 391.678 2.507 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2cccc(Br)c2C1 ZINC000118372550 655275329 /nfs/dbraw/zinc/27/53/29/655275329.db2.gz DLDLLQNCUHOWEN-LLVKDONJSA-N 0 0 377.238 2.745 10 0 GFAERN OC[C@H]1CCCN1c1cc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)ncn1 ZINC000118384566 655275824 /nfs/dbraw/zinc/27/58/24/655275824.db2.gz WDARCICWZMXNKC-CABCVRRESA-N 0 0 383.279 2.890 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(Br)ccc1F ZINC000118674568 655280776 /nfs/dbraw/zinc/28/07/76/655280776.db2.gz ZMKBXGQBKZSAPF-LBPRGKRZSA-N 0 0 379.233 2.777 10 0 GFAERN O=C(CCCOc1cccc(Br)c1)N[C@@H]1CCCn2ncnc21 ZINC000177561627 655281456 /nfs/dbraw/zinc/28/14/56/655281456.db2.gz DVWPUGKXVXQOCI-CQSZACIVSA-N 0 0 379.258 2.851 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1sccc1Br ZINC000177586090 655282622 /nfs/dbraw/zinc/28/26/22/655282622.db2.gz CDDAMFJLJQSMSI-QMMMGPOBSA-N 0 0 384.317 2.861 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000177588803 655282880 /nfs/dbraw/zinc/28/28/80/655282880.db2.gz WXSATSCKVYMIIE-NSHDSACASA-N 0 0 394.896 2.818 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1C ZINC000178141773 655298722 /nfs/dbraw/zinc/29/87/22/655298722.db2.gz JDDLAMLRJVCYDJ-ZDUSSCGKSA-N 0 0 387.217 2.767 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cc(Br)ccc1F ZINC000119569056 655307371 /nfs/dbraw/zinc/30/73/71/655307371.db2.gz ZZAUUGNJRAQPPT-ZDUSSCGKSA-N 0 0 397.248 2.520 10 0 GFAERN C[C@@H]1C[C@@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC(C)(C)C1 ZINC000180161170 655322982 /nfs/dbraw/zinc/32/29/82/655322982.db2.gz SKQVRISMXKLGOO-TZMCWYRMSA-N 0 0 380.501 2.829 10 0 GFAERN C[C@H]1C[C@@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC(C)(C)C1 ZINC000180161188 655323077 /nfs/dbraw/zinc/32/30/77/655323077.db2.gz SKQVRISMXKLGOO-GXTWGEPZSA-N 0 0 380.501 2.829 10 0 GFAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000180764043 655330042 /nfs/dbraw/zinc/33/00/42/655330042.db2.gz AYGRMSOCYLXRHQ-IINYFYTJSA-N 0 0 390.299 2.540 10 0 GFAERN Cc1c(Cl)cccc1-n1ccn(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1=S ZINC000120265022 655333228 /nfs/dbraw/zinc/33/32/28/655333228.db2.gz IRCRVBCAOMNOQT-ABAIWWIYSA-N 0 0 380.901 2.502 10 0 GFAERN Cc1c(Cl)cccc1-n1ccn(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1=S ZINC000120265186 655333243 /nfs/dbraw/zinc/33/32/43/655333243.db2.gz IRCRVBCAOMNOQT-IAQYHMDHSA-N 0 0 380.901 2.502 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1C ZINC000120445287 655335949 /nfs/dbraw/zinc/33/59/49/655335949.db2.gz JMFAODRDBJGCHB-CQSZACIVSA-N 0 0 389.315 2.900 10 0 GFAERN Cc1cc(I)ccc1NC(=O)CN1[C@H](C)COC[C@H]1C ZINC000120875474 655345850 /nfs/dbraw/zinc/34/58/50/655345850.db2.gz MPAPBBSYFMEGML-VXGBXAGGSA-N 0 0 388.249 2.647 10 0 GFAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Oc1cccc(Cl)c1F ZINC000185967756 655367012 /nfs/dbraw/zinc/36/70/12/655367012.db2.gz UFBFWAAIXIOLCC-VIFPVBQESA-N 0 0 382.800 2.512 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)CCc1cccs1 ZINC000189665415 655387339 /nfs/dbraw/zinc/38/73/39/655387339.db2.gz MRHIMMMYZJFHQB-ZFWWWQNUSA-N 0 0 388.555 2.903 10 0 GFAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCc2cc(Br)ccc2C1 ZINC000189774032 655388114 /nfs/dbraw/zinc/38/81/14/655388114.db2.gz HCLZKVQEWBYQPF-HOTGVXAUSA-N 0 0 375.266 2.716 10 0 GFAERN Cc1cc(S(=O)(=O)N(C)C(=O)[C@H]2CCCO[C@@H]2C)ccc1Br ZINC000192228018 655403692 /nfs/dbraw/zinc/40/36/92/655403692.db2.gz PDUHGFZCWXBSKL-YPMHNXCESA-N 0 0 390.299 2.720 10 0 GFAERN CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000194355181 655415255 /nfs/dbraw/zinc/41/52/55/655415255.db2.gz GVKSRWLVYRPYOA-LBPRGKRZSA-N 0 0 376.425 2.643 10 0 GFAERN O=C(NCCc1c[nH]c2ccccc12)c1nn2c(c1Br)OCCC2 ZINC000223787047 655422470 /nfs/dbraw/zinc/42/24/70/655422470.db2.gz SDJMNNUHRWKDLG-UHFFFAOYSA-N 0 0 389.253 2.882 10 0 GFAERN COCCn1c(C(=O)Nc2cnn(C)c2C)cc2oc(Br)cc21 ZINC000223709091 655422477 /nfs/dbraw/zinc/42/24/77/655422477.db2.gz TZDOWTJSSIGEEY-UHFFFAOYSA-N 0 0 381.230 2.937 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2ccc(SC(F)(F)F)cc2)CCO1 ZINC000263534388 655452550 /nfs/dbraw/zinc/45/25/50/655452550.db2.gz YKRIJGISZOMDQM-CYBMUJFWSA-N 0 0 378.416 2.516 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC000702796084 655521846 /nfs/dbraw/zinc/52/18/46/655521846.db2.gz MPNSTRBLBIDNMV-MFKMUULPSA-N 0 0 389.279 2.951 10 0 GFAERN C[C@H](NC(=O)c1cc(Cl)ccc1I)c1cn(C)nn1 ZINC000720618771 655524519 /nfs/dbraw/zinc/52/45/19/655524519.db2.gz IIXNXBAUFYGKIX-ZETCQYMHSA-N 0 0 390.612 2.564 10 0 GFAERN COC[C@@H]1C[C@@H](OC)CN1c1ncnc2c1c(Br)nn2C(C)(C)C ZINC000893760183 663423978 /nfs/dbraw/zinc/42/39/78/663423978.db2.gz JQEJZDNBZVQSAH-WDEREUQCSA-N 0 0 398.305 2.584 10 0 GFAERN C[C@H](C(=O)NCC(C)(C)n1ccnc1)N1C(=S)N=NC1c1cccs1 ZINC000912616581 664294734 /nfs/dbraw/zinc/29/47/34/664294734.db2.gz KGQPOXAETGUMJV-LLVKDONJSA-N 0 0 376.511 2.604 10 0 GFAERN COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000001494105 212247367 /nfs/dbraw/zinc/24/73/67/212247367.db2.gz KYXDNECMRLFQMZ-UHFFFAOYSA-N 0 0 381.816 2.988 10 0 investigational GFAERN COc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)c1 ZINC000035023199 212243073 /nfs/dbraw/zinc/24/30/73/212243073.db2.gz FBIWEBDTUSGSDW-VKJFTORMSA-N 0 0 394.349 2.799 10 0 GFAERN C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)CC[NH2+]1 ZINC000005930078 212148047 /nfs/dbraw/zinc/14/80/47/212148047.db2.gz VVDWMIBWDRTATF-VIFPVBQESA-N 0 0 379.819 2.625 10 0 GFAERN COc1ccc(-n2c(C)nc3ccc(NC(=O)[C@H]4CCCO4)cc3c2=O)cc1 ZINC000023143820 212112940 /nfs/dbraw/zinc/11/29/40/212112940.db2.gz RWQRQHJFYYKUAY-LJQANCHMSA-N 0 0 379.416 2.820 10 0 GFAERN NC(=O)C1CCN(c2c3ccccc3ncc2S(=O)(=O)c2ccccc2)CC1 ZINC000020380776 212110563 /nfs/dbraw/zinc/11/05/63/212110563.db2.gz DFALQQNIGKUCSS-UHFFFAOYSA-N 0 0 395.484 2.769 10 0 GFAERN Cn1cc(-c2ccnc(NCc3ccccc3N3CCC(CO)CC3)n2)cn1 ZINC000023368079 212105445 /nfs/dbraw/zinc/10/54/45/212105445.db2.gz JTYYYBLDXUSIMS-UHFFFAOYSA-N 0 0 378.480 2.698 10 0 GFAERN CC(C)n1cc(C[C@@H]2NC(=O)N(Cc3c(Cl)ccc4cccnc43)C2=O)nn1 ZINC000328608482 212083905 /nfs/dbraw/zinc/08/39/05/212083905.db2.gz AOMUKOUIWNNSTK-INIZCTEOSA-N 0 0 398.854 2.928 10 0 GFAERN CCO[C@@H](C)c1noc(CN2CCCC[C@H]2c2ccc(C(=O)NC)n2C)n1 ZINC000328623676 212085825 /nfs/dbraw/zinc/08/58/25/212085825.db2.gz CBKPTMCBBFHTDV-ZFWWWQNUSA-N 0 0 375.473 2.592 10 0 GFAERN COc1ccccc1CCc1nnc(CCC(=O)NCC[C@@H]2CCCCO2)o1 ZINC000011818550 221128159 /nfs/dbraw/zinc/12/81/59/221128159.db2.gz GXRKOXHYEKCYJW-KRWDZBQOSA-N 0 0 387.480 2.871 10 0 GFAERN O=C([C@H]1CCCO1)N(Cc1cc2ccc(F)cc2nc1N1CCOCC1)C1CC1 ZINC000011910821 221135831 /nfs/dbraw/zinc/13/58/31/221135831.db2.gz FNDQTMPPJKLSGR-HXUWFJFHSA-N 0 0 399.466 2.881 10 0 GFAERN Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)Nc1cccc(F)c1 ZINC000012208360 221167979 /nfs/dbraw/zinc/16/79/79/221167979.db2.gz SEHKBAJUFNTYPW-UHFFFAOYSA-N 0 0 398.481 2.865 10 0 GFAERN Cc1n[nH]c(C)c1CCC(=O)N1CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2C1 ZINC000012204449 221168022 /nfs/dbraw/zinc/16/80/22/221168022.db2.gz YWSGNNPDKKZMFE-FQEVSTJZSA-N 0 0 396.491 2.662 10 0 GFAERN CCCCN(C)S(=O)(=O)c1c(C)cc(N2CCCCS2(=O)=O)cc1C ZINC000012209818 221168100 /nfs/dbraw/zinc/16/81/00/221168100.db2.gz BLWSRUOKCGSRGL-UHFFFAOYSA-N 0 0 388.555 2.654 10 0 GFAERN CCOC(=O)c1nn(CCO)c2c1CN(CC[C@H](C)c1ccc(C)o1)CC2 ZINC000014748606 221315746 /nfs/dbraw/zinc/31/57/46/221315746.db2.gz SJKHWKOJORNBKN-AWEZNQCLSA-N 0 0 375.469 2.505 10 0 GFAERN Cc1nonc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000015077670 221330844 /nfs/dbraw/zinc/33/08/44/221330844.db2.gz SLQDNBYJPBMTLT-IBGZPJMESA-N 0 0 376.407 2.785 10 0 GFAERN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)N1CCCCC1)c2=O ZINC000015787020 221345645 /nfs/dbraw/zinc/34/56/45/221345645.db2.gz REHBTUOVGGXRBV-UHFFFAOYSA-N 0 0 399.882 2.865 10 0 GFAERN Cc1cc2c(cc1S(=O)(=O)NCCc1ccc(Cl)cc1)OCC(=O)N2 ZINC000015941801 221354086 /nfs/dbraw/zinc/35/40/86/221354086.db2.gz TVUAUJCFKRROSI-UHFFFAOYSA-N 0 0 380.853 2.500 10 0 GFAERN COC(=O)CNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cc(C)oc2C)s1 ZINC000019146257 221399585 /nfs/dbraw/zinc/39/95/85/221399585.db2.gz XFQQPLROQKGXIY-AWEZNQCLSA-N 0 0 390.461 2.838 10 0 GFAERN CCN(Cc1cnn(CC)c1)C(=O)[C@@H]1CCc2nc(N3CCCCC3)ncc2C1 ZINC000065289460 136162636 /nfs/dbraw/zinc/16/26/36/136162636.db2.gz PCRLYMRMOSDDCI-GOSISDBHSA-N 0 0 396.539 2.837 10 0 GFAERN CCCn1ncc(N2CCC(C(=O)N[C@@H](C)c3ccc(OC)cc3)CC2)cc1=O ZINC000065311420 136163194 /nfs/dbraw/zinc/16/31/94/136163194.db2.gz FGGXOCFLXAVYDH-INIZCTEOSA-N 0 0 398.507 2.756 10 0 GFAERN CCCCn1nc([C@H]2CCOC2)nc1-c1ccccc1N1CCC(=O)NC1=O ZINC000096137559 136184216 /nfs/dbraw/zinc/18/42/16/136184216.db2.gz BILDXEOWFIRYFL-AWEZNQCLSA-N 0 0 383.452 2.695 10 0 GFAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1ccc(Cl)cc1 ZINC000224146693 136206345 /nfs/dbraw/zinc/20/63/45/136206345.db2.gz AMTHCQGKKSOSNW-UHFFFAOYSA-N 0 0 376.848 2.677 10 0 GFAERN Cc1ccc(Nc2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 ZINC000035429808 221822874 /nfs/dbraw/zinc/82/28/74/221822874.db2.gz NSBALJAFBZMSNV-OAHLLOKOSA-N 0 0 396.472 2.599 10 0 GFAERN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000035534953 221828174 /nfs/dbraw/zinc/82/81/74/221828174.db2.gz XCELYFXZBNCFDE-INIZCTEOSA-N 0 0 394.399 2.592 10 0 GFAERN CC[C@H]1Oc2ccc(NC(=O)COC)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909220 221835279 /nfs/dbraw/zinc/83/52/79/221835279.db2.gz IHNCWLJCIQSZPL-LJQANCHMSA-N 0 0 398.459 2.980 10 0 GFAERN CCOc1ccccc1CN1C[C@H](NC(=O)c2ccc(C)cc2)C[C@H]1C(=O)OC ZINC000055152916 222015956 /nfs/dbraw/zinc/01/59/56/222015956.db2.gz CDVYKLNPCCYFKW-UXHICEINSA-N 0 0 396.487 2.940 10 0 GFAERN COC(=O)[C@@H]1C[C@H](C(=O)NCCCc2ccccn2)[C@H](c2ccccc2F)N1C ZINC000055196628 222017372 /nfs/dbraw/zinc/01/73/72/222017372.db2.gz VOIZOFBAYOYQCE-IHPCNDPISA-N 0 0 399.466 2.504 10 0 GFAERN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1 ZINC000065128857 222102542 /nfs/dbraw/zinc/10/25/42/222102542.db2.gz ATZPCWUKCGIESR-UHFFFAOYSA-N 0 0 375.475 2.724 10 0 GFAERN CCN1CCCn2nc(C3CCN(C(=O)c4ccccc4OC)CC3)cc2C1=O ZINC000065225788 222112548 /nfs/dbraw/zinc/11/25/48/222112548.db2.gz SVTDNZNBADRAIR-UHFFFAOYSA-N 0 0 396.491 2.777 10 0 GFAERN CCCNC(=O)c1ccc2c(c1)ncn(CC(=O)Nc1cc(C)cc(C)c1)c2=O ZINC000064755112 222080174 /nfs/dbraw/zinc/08/01/74/222080174.db2.gz ZEHUURAZWPXHGD-UHFFFAOYSA-N 0 0 392.459 2.792 10 0 GFAERN COc1cccc(Cn2nc3n(c2=O)c2ccccc2c(=O)n3CCC(C)C)c1 ZINC000064860491 222085545 /nfs/dbraw/zinc/08/55/45/222085545.db2.gz HBQZKTJEXQTKDL-UHFFFAOYSA-N 0 0 392.459 2.914 10 0 GFAERN Cc1cccc(CN2CCN(CC(=O)Nc3cccc(Cl)c3C)C(=O)C2=O)c1 ZINC000064888807 222086871 /nfs/dbraw/zinc/08/68/71/222086871.db2.gz VFBHOSDZNPYWTQ-UHFFFAOYSA-N 0 0 399.878 2.766 10 0 GFAERN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)NC[C@H]3CCCO3)sc12 ZINC000065294121 222120788 /nfs/dbraw/zinc/12/07/88/222120788.db2.gz LBAOEECIXSTMCG-MRXNPFEDSA-N 0 0 399.520 2.830 10 0 GFAERN COc1ccc(CS(=O)(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000095076401 222328750 /nfs/dbraw/zinc/32/87/50/222328750.db2.gz DZMHFORVHYNHFV-OAHLLOKOSA-N 0 0 384.498 2.514 10 0 GFAERN CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000095074443 222329255 /nfs/dbraw/zinc/32/92/55/222329255.db2.gz BHUVJOQMKWELBR-INIZCTEOSA-N 0 0 386.489 2.987 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc2c1OCCO2 ZINC000095087302 222330353 /nfs/dbraw/zinc/33/03/53/222330353.db2.gz APUGNMNTTWSNDW-AWEZNQCLSA-N 0 0 376.453 2.977 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@@H](COC2=NS(=O)(=O)c3ccccc32)C1 ZINC000095085449 222330977 /nfs/dbraw/zinc/33/09/77/222330977.db2.gz QIANOEKHFHBULX-CYBMUJFWSA-N 0 0 380.466 2.799 10 0 GFAERN Ic1cnc(I)c(OC2CC2)c1 ZINC000095734526 222360044 /nfs/dbraw/zinc/36/00/44/222360044.db2.gz FGEQGOBLLVPTNF-UHFFFAOYSA-N 0 0 386.958 2.832 10 0 GFAERN COC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ncc(Br)cc12 ZINC000095937240 222361202 /nfs/dbraw/zinc/36/12/02/222361202.db2.gz MUWYTPSVQMVNLH-UHFFFAOYSA-N 0 0 395.234 2.822 10 0 GFAERN CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ccc(Cl)cc3c2=O)CC1 ZINC000073658263 518801896 /nfs/dbraw/zinc/80/18/96/518801896.db2.gz JUWYJHKWXXJWEI-UHFFFAOYSA-N 0 0 379.844 2.915 10 0 GFAERN CCc1c(C)nc(NC2CC[NH+](Cc3ccccc3)CC2)nc1OCC(=O)[O-] ZINC000073709115 523711068 /nfs/dbraw/zinc/71/10/68/523711068.db2.gz ZAPSJYHXGMMZHL-UHFFFAOYSA-N 0 0 384.480 2.887 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](NC(=O)OCc2ccccc2)C1 ZINC000307433609 526427541 /nfs/dbraw/zinc/42/75/41/526427541.db2.gz JNYOIJQETTZRFY-GVDBMIGSSA-N 0 0 376.453 2.937 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](CNC(=O)OCc3ccccc3)O[C@@H]2C1 ZINC000307143372 526427716 /nfs/dbraw/zinc/42/77/16/526427716.db2.gz FJWIJNWULWSJNU-YESZJQIVSA-N 0 0 376.453 2.937 10 0 GFAERN O=C([O-])C1CC[NH+](Cc2nnn(-c3ccccc3F)c2-c2ccncc2)CC1 ZINC000057345054 527565941 /nfs/dbraw/zinc/56/59/41/527565941.db2.gz UGOAFAYBNMISCY-UHFFFAOYSA-N 0 0 381.411 2.765 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Br ZINC000007685946 551101443 /nfs/dbraw/zinc/10/14/43/551101443.db2.gz KHOJJHSSGVMBOU-VIFPVBQESA-N 0 0 396.266 2.658 10 0 GFAERN C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)c1cccs1 ZINC000029732604 551126955 /nfs/dbraw/zinc/12/69/55/551126955.db2.gz XXTNJDCWAZUUHQ-NSHDSACASA-N 0 0 387.914 2.740 10 0 GFAERN C[C@H](CCc1ccc(Br)cc1)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000054648480 551169986 /nfs/dbraw/zinc/16/99/86/551169986.db2.gz BUCNXRNOYGWAGJ-CABCVRRESA-N 0 0 398.345 2.790 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000060731636 551184000 /nfs/dbraw/zinc/18/40/00/551184000.db2.gz XXOHXDYKPLSGRZ-CQSZACIVSA-N 0 0 375.222 2.946 10 0 GFAERN C[C@H](CNC(=O)NC(C)(C)Cc1ccc(Br)cc1)N1CCOCC1 ZINC000067389269 551188123 /nfs/dbraw/zinc/18/81/23/551188123.db2.gz RGFMKLCHNUKPMS-CQSZACIVSA-N 0 0 398.345 2.790 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)CSc3ccccc3Cl)CC2)no1 ZINC000110024110 551201859 /nfs/dbraw/zinc/20/18/59/551201859.db2.gz HQDXCLHJVHQJRN-UHFFFAOYSA-N 0 0 380.901 2.858 10 0 GFAERN CCn1cnnc1C1CCN(S(=O)(=O)c2cc(OC)ccc2Cl)CC1 ZINC000112266679 551205623 /nfs/dbraw/zinc/20/56/23/551205623.db2.gz JLRXTZOKWRNILH-UHFFFAOYSA-N 0 0 384.889 2.528 10 0 GFAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)o1 ZINC000115867841 551210118 /nfs/dbraw/zinc/21/01/18/551210118.db2.gz SNVZQFGGDXHEKX-FTJNGKRUSA-N 0 0 382.869 2.936 10 0 GFAERN O=C(Nc1cccc(Br)c1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000119623818 551217877 /nfs/dbraw/zinc/21/78/77/551217877.db2.gz DXTRNIIXEZFCIO-UHFFFAOYSA-N 0 0 391.269 2.523 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000121713335 551240425 /nfs/dbraw/zinc/24/04/25/551240425.db2.gz CFZXXGRSFSEUGY-LBPRGKRZSA-N 0 0 382.251 2.737 10 0 GFAERN Cc1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)ccc1Br ZINC000121900696 551292038 /nfs/dbraw/zinc/29/20/38/551292038.db2.gz COSGAMAAVRWLPA-AWEZNQCLSA-N 0 0 375.270 2.946 10 0 GFAERN Cc1cnn(CCNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)c1 ZINC000122270880 551296896 /nfs/dbraw/zinc/29/68/96/551296896.db2.gz ROWPDIRYKIVQDF-UHFFFAOYSA-N 0 0 388.269 2.878 10 0 GFAERN C[C@@H](C(=O)NC[C@]1(C)CCCO1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000123900980 551309982 /nfs/dbraw/zinc/30/99/82/551309982.db2.gz FSJURMVGURSCML-XYZCENFISA-N 0 0 385.247 2.663 10 0 GFAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C(C)C ZINC000127036203 551336304 /nfs/dbraw/zinc/33/63/04/551336304.db2.gz FKNZZTDMYWUUSP-MRXNPFEDSA-N 0 0 388.917 2.869 10 0 GFAERN CCc1ncc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)cn1 ZINC000127660722 551343030 /nfs/dbraw/zinc/34/30/30/551343030.db2.gz JRAONVKEDHNPCC-JTQLQIEISA-N 0 0 377.242 2.617 10 0 GFAERN Cc1csc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2nc(C)cs2)n1 ZINC000128607065 551351155 /nfs/dbraw/zinc/35/11/55/551351155.db2.gz LCCKEVOQVWHINA-STQMWFEESA-N 0 0 378.523 2.565 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(F)cc1Cl ZINC000128753005 551351792 /nfs/dbraw/zinc/35/17/92/551351792.db2.gz NJFWOSIMMHQIGA-JTQLQIEISA-N 0 0 382.844 2.805 10 0 GFAERN CCNc1ncc(C(=O)NC[C@@H](c2ccc(C)s2)N2CCOCC2)s1 ZINC000129597671 551358280 /nfs/dbraw/zinc/35/82/80/551358280.db2.gz LIDQMZBIWKAPNS-ZDUSSCGKSA-N 0 0 380.539 2.748 10 0 GFAERN COCCn1nc(C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)ccc1=O ZINC000131153368 551372922 /nfs/dbraw/zinc/37/29/22/551372922.db2.gz LVDPWTKWUIUIMB-VIFPVBQESA-N 0 0 388.226 2.827 10 0 GFAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C)c1ccccc1Br ZINC000131129569 551373001 /nfs/dbraw/zinc/37/30/01/551373001.db2.gz OGNHWXOGVUXEFY-QJPTWQEYSA-N 0 0 389.315 2.727 10 0 GFAERN O=C(Nc1cc(Br)c(F)cc1Cl)N[C@@H]1CCc2ncnn2C1 ZINC000132809693 551379301 /nfs/dbraw/zinc/37/93/01/551379301.db2.gz GOEKJZFRQQRRAE-SSDOTTSWSA-N 0 0 388.628 2.970 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(F)c(I)c1 ZINC000150785290 551401743 /nfs/dbraw/zinc/40/17/43/551401743.db2.gz CAJWPQVNPTVSAN-LBPRGKRZSA-N 0 0 391.180 2.598 10 0 GFAERN Cc1ccccc1[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000152606340 551436537 /nfs/dbraw/zinc/43/65/37/551436537.db2.gz MWUCPIGIZYGGMI-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C[C@H](O)c3ccccc3Br)CCO2)n1 ZINC000152958901 551443629 /nfs/dbraw/zinc/44/36/29/551443629.db2.gz XRLCSQSHKVKULV-YJBOKZPZSA-N 0 0 394.313 2.697 10 0 GFAERN C[C@@H](NC(=O)NCc1ccc(O)c(Br)c1)c1nnc2n1CCCC2 ZINC000153448521 551452916 /nfs/dbraw/zinc/45/29/16/551452916.db2.gz ZAMLLDQHBGTKIL-SNVBAGLBSA-N 0 0 394.273 2.643 10 0 GFAERN CC(=O)N[C@H]1CCCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000153894395 551462676 /nfs/dbraw/zinc/46/26/76/551462676.db2.gz XNLRWGYAZOCPCC-HNNXBMFYSA-N 0 0 377.286 2.940 10 0 GFAERN COC(=O)Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)s2)c1 ZINC000155237624 551495285 /nfs/dbraw/zinc/49/52/85/551495285.db2.gz YEYBNKVXJRKASJ-SNVBAGLBSA-N 0 0 380.853 2.933 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)CC2 ZINC000155256973 551495639 /nfs/dbraw/zinc/49/56/39/551495639.db2.gz SYNCDSUAWHVETD-LBPRGKRZSA-N 0 0 386.880 2.628 10 0 GFAERN Cn1cc(NC(=O)NCCCCNc2ccccn2)cc(Br)c1=O ZINC000156233932 551517929 /nfs/dbraw/zinc/51/79/29/551517929.db2.gz XVUGETQQQWXRIO-UHFFFAOYSA-N 0 0 394.273 2.557 10 0 GFAERN O=S(=O)(c1ccc(F)cc1F)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158488673 551552774 /nfs/dbraw/zinc/55/27/74/551552774.db2.gz FQLQPLINLNKQFU-IAQYHMDHSA-N 0 0 375.343 2.740 10 0 GFAERN O=S(=O)(Cc1ccc(Cl)nc1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158553648 551553439 /nfs/dbraw/zinc/55/34/39/551553439.db2.gz YEUILRPQZIJUSV-DOMZBBRYSA-N 0 0 388.823 2.651 10 0 GFAERN O=S(=O)(c1cc(F)c(Br)cc1F)N1CCN2CCCC[C@@H]2C1 ZINC000162163221 551604031 /nfs/dbraw/zinc/60/40/31/551604031.db2.gz DGULTDPDYPOZNB-SNVBAGLBSA-N 0 0 395.269 2.586 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(Cl)cc1OCC ZINC000163945228 551622962 /nfs/dbraw/zinc/62/29/62/551622962.db2.gz UNDHEHHQTDYSHW-OAHLLOKOSA-N 0 0 388.917 2.559 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000170737089 551638704 /nfs/dbraw/zinc/63/87/04/551638704.db2.gz YXJBYXMCOYXCIR-GFCCVEGCSA-N 0 0 392.253 2.864 10 0 GFAERN Cc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1cccc(Br)c1)CC2 ZINC000171037466 551645190 /nfs/dbraw/zinc/64/51/90/551645190.db2.gz BEYAOIHSTAIEBO-YGRLFVJLSA-N 0 0 378.274 2.724 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)c2cc3c(c(Br)c2)OCO3)cn1 ZINC000171347921 551653343 /nfs/dbraw/zinc/65/33/43/551653343.db2.gz NXPJIDZNWHEGSD-CYBMUJFWSA-N 0 0 378.226 2.889 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(F)cc2Br)cn1 ZINC000171400096 551654705 /nfs/dbraw/zinc/65/47/05/551654705.db2.gz WQTUNLJBJUFATH-AWEZNQCLSA-N 0 0 395.232 2.624 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)c2cccc(C)c2I)C1 ZINC000171467150 551656420 /nfs/dbraw/zinc/65/64/20/551656420.db2.gz RQQRWDZBGUEYSY-LLVKDONJSA-N 0 0 387.217 2.625 10 0 GFAERN COC(=O)C[C@H](NC(=O)N[C@@H]1CCCOC1)c1cccc(Br)c1 ZINC000171601012 551659112 /nfs/dbraw/zinc/65/91/12/551659112.db2.gz RDCSBTXDPDEXLY-KGLIPLIRSA-N 0 0 385.258 2.532 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cc(F)cc(Br)c3)CC2)no1 ZINC000171759890 551662536 /nfs/dbraw/zinc/66/25/36/551662536.db2.gz ALIBJYIHRPNFFP-UHFFFAOYSA-N 0 0 397.248 2.628 10 0 GFAERN CCn1cc(Br)cc1C(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000171862729 551665471 /nfs/dbraw/zinc/66/54/71/551665471.db2.gz NUPWASQTLLNYBN-UHFFFAOYSA-N 0 0 397.342 2.993 10 0 GFAERN C[C@H](NC(=O)NCC(C)(C)c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000172022414 551669178 /nfs/dbraw/zinc/66/91/78/551669178.db2.gz DUVZTHADILHGCL-LBPRGKRZSA-N 0 0 381.523 2.734 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)c3cc4c(c(Br)c3)OCO4)C2)cn1 ZINC000172258916 551674149 /nfs/dbraw/zinc/67/41/49/551674149.db2.gz QGDQLQFRMFYXDX-SNVBAGLBSA-N 0 0 378.226 2.541 10 0 GFAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000172346286 551677158 /nfs/dbraw/zinc/67/71/58/551677158.db2.gz VDADXYLIWZTWQT-GFCCVEGCSA-N 0 0 388.295 2.501 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccc(F)cc1Cl ZINC000172462159 551679798 /nfs/dbraw/zinc/67/97/98/551679798.db2.gz JNVRHXXJTDCBQN-VIFPVBQESA-N 0 0 384.816 2.964 10 0 GFAERN Cc1cc(Br)ccc1SCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172758294 551686255 /nfs/dbraw/zinc/68/62/55/551686255.db2.gz FSRFEGVCZAPSOK-OAHLLOKOSA-N 0 0 399.354 2.783 10 0 GFAERN CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172750195 551686316 /nfs/dbraw/zinc/68/63/16/551686316.db2.gz IWERLULZJFOXSG-HNNXBMFYSA-N 0 0 397.313 2.783 10 0 GFAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCS[C@@H](C)C2)c(F)c1Cl ZINC000173117262 552078241 /nfs/dbraw/zinc/07/82/41/552078241.db2.gz QRLOCXYQOQLWEP-ZETCQYMHSA-N 0 0 384.857 2.703 10 0 GFAERN C[C@H](C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)c1ccc(Br)s1 ZINC000173398233 552085200 /nfs/dbraw/zinc/08/52/00/552085200.db2.gz WYUKXIFKPQZHCX-RWMBFGLXSA-N 0 0 387.343 2.793 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3sc(-c4cccs4)nc3C)CCO2)[nH]1 ZINC000173542622 552087751 /nfs/dbraw/zinc/08/77/51/552087751.db2.gz ZHNLAPNRULPBII-NSHDSACASA-N 0 0 375.479 2.820 10 0 GFAERN CC[C@@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000173826000 552093165 /nfs/dbraw/zinc/09/31/65/552093165.db2.gz BFFZMMJQXZHALC-GHMZBOCLSA-N 0 0 380.436 2.633 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000173839832 552093610 /nfs/dbraw/zinc/09/36/10/552093610.db2.gz NLOFXGGHCUEOGK-NSHDSACASA-N 0 0 390.328 2.869 10 0 GFAERN COC(=O)c1ccsc1NC(=O)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000174788482 552110200 /nfs/dbraw/zinc/11/02/00/552110200.db2.gz ZSDHCVSROOTAHL-CYBMUJFWSA-N 0 0 378.837 2.930 10 0 GFAERN COc1cc(NC(=O)N2CCC[C@H](n3cncn3)C2)ccc1Br ZINC000175015285 552113542 /nfs/dbraw/zinc/11/35/42/552113542.db2.gz XRYLREVYPMIHKV-LBPRGKRZSA-N 0 0 380.246 2.918 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000175859143 552130515 /nfs/dbraw/zinc/13/05/15/552130515.db2.gz FYVYQLKWNBHIOG-KGLIPLIRSA-N 0 0 384.267 2.761 10 0 GFAERN O=C(NCCCc1ccc(Br)cc1F)N[C@H]1CCCn2ncnc21 ZINC000177348992 552153845 /nfs/dbraw/zinc/15/38/45/552153845.db2.gz QJILBNPGNCEWTN-AWEZNQCLSA-N 0 0 396.264 2.947 10 0 GFAERN Cc1csc(CNC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000178486756 552171453 /nfs/dbraw/zinc/17/14/53/552171453.db2.gz CDOFKIZSYFAFPF-CQSZACIVSA-N 0 0 380.539 2.728 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1c2c(sc1-n1cccc1)CSCC2)C(C)C ZINC000178868187 552177680 /nfs/dbraw/zinc/17/76/80/552177680.db2.gz ZFIHVOGIAJFAHB-OAHLLOKOSA-N 0 0 377.535 2.829 10 0 GFAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Br)c(O)c1 ZINC000179336551 552189980 /nfs/dbraw/zinc/18/99/80/552189980.db2.gz UQVZVMHBUHHGJX-ZDUSSCGKSA-N 0 0 396.262 2.803 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000179778867 552203017 /nfs/dbraw/zinc/20/30/17/552203017.db2.gz RRYPWKQFBSNVLX-UKRRQHHQSA-N 0 0 383.279 2.873 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCS1 ZINC000179970585 552208025 /nfs/dbraw/zinc/20/80/25/552208025.db2.gz ZVCMXICHPWOUCI-SSDOTTSWSA-N 0 0 379.226 2.630 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc(Br)c2Cl)CC1 ZINC000180096753 552213132 /nfs/dbraw/zinc/21/31/32/552213132.db2.gz BHCWYBLYLCQIMB-LLVKDONJSA-N 0 0 375.694 2.631 10 0 GFAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cn1 ZINC000180264340 552219725 /nfs/dbraw/zinc/21/97/25/552219725.db2.gz ZUBYANIUGFHLOB-MRVPVSSYSA-N 0 0 381.326 2.641 10 0 GFAERN Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)nn1-c1ccc(Cl)cc1Cl ZINC000180465674 552227035 /nfs/dbraw/zinc/22/70/35/552227035.db2.gz CZUAXANWQGZSJW-CYBMUJFWSA-N 0 0 383.279 2.548 10 0 GFAERN O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180976703 552241867 /nfs/dbraw/zinc/24/18/67/552241867.db2.gz WXDDCOHLDDWRFO-NSHDSACASA-N 0 0 375.281 2.686 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000181627306 552262889 /nfs/dbraw/zinc/26/28/89/552262889.db2.gz SRWTYGPUXXDOFI-SUMWQHHRSA-N 0 0 396.329 2.535 10 0 GFAERN COc1cc(Br)ccc1CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000182180305 552277905 /nfs/dbraw/zinc/27/79/05/552277905.db2.gz DEJJDTXWEYJIDP-MRXNPFEDSA-N 0 0 380.286 2.864 10 0 GFAERN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182377749 552282022 /nfs/dbraw/zinc/28/20/22/552282022.db2.gz VHCCOGADKQXYNT-OSAQELSMSA-N 0 0 392.304 2.764 10 0 GFAERN C[C@H](NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000182994407 552297735 /nfs/dbraw/zinc/29/77/35/552297735.db2.gz AZHPUSJFPSBWAA-JTQLQIEISA-N 0 0 397.913 2.632 10 0 GFAERN CCCN(C)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183508850 552311880 /nfs/dbraw/zinc/31/18/80/552311880.db2.gz RATFPZQUQCDRJG-INIZCTEOSA-N 0 0 378.519 2.732 10 0 GFAERN C[C@@H](NC(=O)c1ncc(Br)cc1Br)[C@@H]1CCCO1 ZINC000183996380 552325193 /nfs/dbraw/zinc/32/51/93/552325193.db2.gz BBVABQFYMQPCGR-XCBNKYQSSA-N 0 0 378.064 2.904 10 0 GFAERN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000184907601 552347828 /nfs/dbraw/zinc/34/78/28/552347828.db2.gz SXLXPSIVJFUFFS-TVQRCGJNSA-N 0 0 378.778 2.965 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2F)C12CCOCC2 ZINC000185148164 552355117 /nfs/dbraw/zinc/35/51/17/552355117.db2.gz PKWXLTRIPIZGFF-GJZGRUSLSA-N 0 0 377.865 2.732 10 0 GFAERN CN(CCS(C)(=O)=O)C(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000185180933 552356438 /nfs/dbraw/zinc/35/64/38/552356438.db2.gz YXDYPGUXCHJBJE-ZFWWWQNUSA-N 0 0 394.320 2.964 10 0 GFAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2cccc(Br)c2C1 ZINC000185258378 552358858 /nfs/dbraw/zinc/35/88/58/552358858.db2.gz PGUWATXXNCVJRZ-INIZCTEOSA-N 0 0 388.265 2.571 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)CCc3ccc(C)cc3Br)CCO2)[nH]1 ZINC000185552964 552365749 /nfs/dbraw/zinc/36/57/49/552365749.db2.gz GTAZJLYLLHSYMB-HNNXBMFYSA-N 0 0 393.285 2.717 10 0 GFAERN C[C@H](NC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)c1cccs1 ZINC000186189304 552380927 /nfs/dbraw/zinc/38/09/27/552380927.db2.gz WONHJYAXHXJKAD-ZDUSSCGKSA-N 0 0 379.507 2.848 10 0 GFAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000187176086 552408208 /nfs/dbraw/zinc/40/82/08/552408208.db2.gz OHIIIZNJVROHPI-OAHLLOKOSA-N 0 0 399.285 2.675 10 0 GFAERN Cc1c(Br)cccc1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000187870675 552427240 /nfs/dbraw/zinc/42/72/40/552427240.db2.gz LWGFENWADKVWMD-CQSZACIVSA-N 0 0 377.286 2.830 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1ccc(C)c(Br)c1)CC2 ZINC000187996478 552430589 /nfs/dbraw/zinc/43/05/89/552430589.db2.gz GAIJRKPGOCNBOX-CYBMUJFWSA-N 0 0 377.286 2.585 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000188187006 552438469 /nfs/dbraw/zinc/43/84/69/552438469.db2.gz JJPCPCMAUIMXLG-GFCCVEGCSA-N 0 0 379.258 2.662 10 0 GFAERN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188552208 552447574 /nfs/dbraw/zinc/44/75/74/552447574.db2.gz WFEMOJIIXQHQCP-LLVKDONJSA-N 0 0 397.288 2.894 10 0 GFAERN C[C@H](NC(=O)c1cc(Br)ncc1Cl)c1nnc2n1CCCC2 ZINC000188934351 552459365 /nfs/dbraw/zinc/45/93/65/552459365.db2.gz XQNLVPIZIJUMGA-QMMMGPOBSA-N 0 0 384.665 2.916 10 0 GFAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1F ZINC000189098225 552462790 /nfs/dbraw/zinc/46/27/90/552462790.db2.gz ARJMLIWMUAOWKD-GFCCVEGCSA-N 0 0 376.201 2.812 10 0 GFAERN CC(=O)NC1CN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000190241748 552490879 /nfs/dbraw/zinc/49/08/79/552490879.db2.gz LIZGXKVJJHTDGC-UHFFFAOYSA-N 0 0 380.659 2.556 10 0 GFAERN C[C@H]1CCN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@@H]1CO ZINC000190442489 552496586 /nfs/dbraw/zinc/49/65/86/552496586.db2.gz AJONICPVIVXLBM-TVQRCGJNSA-N 0 0 375.782 2.537 10 0 GFAERN Cc1cccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)c1Br ZINC000190480826 552498070 /nfs/dbraw/zinc/49/80/70/552498070.db2.gz JZGOAOVEEYTUNC-AWEZNQCLSA-N 0 0 378.274 2.896 10 0 GFAERN O=C(Nc1cc(F)cc(F)c1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000190691248 552506305 /nfs/dbraw/zinc/50/63/05/552506305.db2.gz PKJLHRUWJNFYEK-LLVKDONJSA-N 0 0 390.228 2.666 10 0 GFAERN CCn1cc([C@H]2CN(CC(=O)Nc3ccc(Br)cc3)CCO2)cn1 ZINC000190751824 552508044 /nfs/dbraw/zinc/50/80/44/552508044.db2.gz WEHHDODTCMDWKP-MRXNPFEDSA-N 0 0 393.285 2.678 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cc(Br)ccc1C)CC2 ZINC000190782464 552508912 /nfs/dbraw/zinc/50/89/12/552508912.db2.gz MTMJWZQRCZKFGT-CQSZACIVSA-N 0 0 392.301 2.726 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3scc(C)c3Br)CCO2)c1 ZINC000190931357 552513891 /nfs/dbraw/zinc/51/38/91/552513891.db2.gz CIRXLMWEMNYGSH-LBPRGKRZSA-N 0 0 384.299 2.865 10 0 GFAERN CC(=O)NC1CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000191499534 552530149 /nfs/dbraw/zinc/53/01/49/552530149.db2.gz JOPZBTYRIWSFPL-UHFFFAOYSA-N 0 0 390.237 2.597 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)COc3ccccc3Br)CCO2)cn1 ZINC000191765976 552537411 /nfs/dbraw/zinc/53/74/11/552537411.db2.gz AAFFCPCMVCFBMQ-INIZCTEOSA-N 0 0 394.269 2.644 10 0 GFAERN Cn1nc(Br)cc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000192140218 552552761 /nfs/dbraw/zinc/55/27/61/552552761.db2.gz SMAXTIPQGHKBNA-UKRRQHHQSA-N 0 0 378.270 2.911 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3ncc(Br)s3)CC2)s1 ZINC000192419059 552562647 /nfs/dbraw/zinc/56/26/47/552562647.db2.gz UUKLRFBJEDIPFU-UHFFFAOYSA-N 0 0 387.328 2.629 10 0 GFAERN C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193378775 552991850 /nfs/dbraw/zinc/99/18/50/552991850.db2.gz KADUHDFKCLMTOP-GFCCVEGCSA-N 0 0 392.253 2.504 10 0 GFAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193955212 553007987 /nfs/dbraw/zinc/00/79/87/553007987.db2.gz XAMNUHSJXYSTOE-AWEZNQCLSA-N 0 0 387.571 2.791 10 0 GFAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC(Cn2cccn2)CC1 ZINC000194336598 553017512 /nfs/dbraw/zinc/01/75/12/553017512.db2.gz GOEOUPXNXRFIBM-QGZVFWFLSA-N 0 0 390.281 2.888 10 0 GFAERN CC(C)NS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000194461880 553021420 /nfs/dbraw/zinc/02/14/20/553021420.db2.gz IZUJLASJLPLPFE-SNVBAGLBSA-N 0 0 382.313 2.681 10 0 GFAERN Cc1cc(SCC(=O)NC[C@H]2CN(C)CCO2)c(C)cc1Br ZINC000194626467 553025594 /nfs/dbraw/zinc/02/55/94/553025594.db2.gz RRJIHQMNGVQGJH-ZDUSSCGKSA-N 0 0 387.343 2.605 10 0 GFAERN C[C@H](C(=O)NC1CCSCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000194816099 553030847 /nfs/dbraw/zinc/03/08/47/553030847.db2.gz NCPOXPYULYWJAF-MRVPVSSYSA-N 0 0 387.288 2.990 10 0 GFAERN Cc1csc([C@H]2CN(CC(=O)N3CCC[C@H](C(F)(F)F)C3)CCO2)n1 ZINC000195395729 553047165 /nfs/dbraw/zinc/04/71/65/553047165.db2.gz ILINMZQQCRVUBY-QWHCGFSZSA-N 0 0 377.432 2.626 10 0 GFAERN CC(C)[C@H](C)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC000228463871 553063381 /nfs/dbraw/zinc/06/33/81/553063381.db2.gz UYYLTHZCCGFGGJ-ZETCQYMHSA-N 0 0 383.695 2.524 10 0 GFAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246903962 553115195 /nfs/dbraw/zinc/11/51/95/553115195.db2.gz HYQVQVKGBGZAOY-IIYDPXPESA-N 0 0 387.307 2.940 10 0 GFAERN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2I)C1 ZINC000247087979 553119071 /nfs/dbraw/zinc/11/90/71/553119071.db2.gz JKUGOPSYJIOFRD-QMTHXVAHSA-N 0 0 390.240 2.889 10 0 GFAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000247158196 553119403 /nfs/dbraw/zinc/11/94/03/553119403.db2.gz QJZXKTMVTJTKQQ-WWGRRREGSA-N 0 0 387.307 2.940 10 0 GFAERN CCOCCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1C ZINC000247255830 553120429 /nfs/dbraw/zinc/12/04/29/553120429.db2.gz YCWUXCXBOACOEF-GFCCVEGCSA-N 0 0 381.325 2.725 10 0 GFAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248030333 553127152 /nfs/dbraw/zinc/12/71/52/553127152.db2.gz QGQWOQYNORSRHR-WFASDCNBSA-N 0 0 379.400 2.901 10 0 GFAERN C[C@H](O)CN(C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@@H](C)CO ZINC000249038654 553138539 /nfs/dbraw/zinc/13/85/39/553138539.db2.gz CSUZXJNKTURNCY-JUFZMCDQSA-N 0 0 375.296 2.870 10 0 GFAERN C[C@@H]1CN([C@H](CNC(=O)c2cn3ccnc3s2)c2cccs2)CCO1 ZINC000249134908 553139476 /nfs/dbraw/zinc/13/94/76/553139476.db2.gz WQRCJOUEMQDIRS-CHWSQXEVSA-N 0 0 376.507 2.649 10 0 GFAERN COc1ccc(C(=O)NC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cc1OC ZINC000096269330 560053980 /nfs/dbraw/zinc/05/39/80/560053980.db2.gz HATBPEGMSHKMCG-KRWDZBQOSA-N 0 0 393.443 2.896 10 0 GFAERN O=S1(=O)N=C(NCCOc2cccc(Br)c2)c2ccccc21 ZINC000301115486 563392919 /nfs/dbraw/zinc/39/29/19/563392919.db2.gz YIUZDJNTSYNDOJ-UHFFFAOYSA-N 0 0 381.251 2.567 10 0 GFAERN C[C@@H]1CN(CCN(C)c2ccccc2S(=O)(=O)C(F)(F)F)C[C@H](C)O1 ZINC000302861475 563431611 /nfs/dbraw/zinc/43/16/11/563431611.db2.gz PYKGDSFOEVTRRF-BETUJISGSA-N 0 0 380.432 2.526 10 0 GFAERN COCc1n[nH]c([C@H]2CCCCN2S(=O)(=O)c2sccc2Cl)n1 ZINC000573912642 564659911 /nfs/dbraw/zinc/65/99/11/564659911.db2.gz ZPLNXIQDTKXHRA-SNVBAGLBSA-N 0 0 376.891 2.582 10 0 GFAERN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857214 570226226 /nfs/dbraw/zinc/22/62/26/570226226.db2.gz LUZDIWKBUUVMDS-MANSERQUSA-N 0 0 376.522 2.533 10 0 GFAERN CCNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc32)CC1 ZINC000020564155 570267954 /nfs/dbraw/zinc/26/79/54/570267954.db2.gz BEKHUDAWDXPHCX-UHFFFAOYSA-N 0 0 378.480 2.785 10 0 GFAERN CC(C)(C)c1nnc(SCC(=O)NCc2ccc(C(F)(F)F)cc2)n1N ZINC000020841748 570282017 /nfs/dbraw/zinc/28/20/17/570282017.db2.gz NTKXPJQMDHIQCA-UHFFFAOYSA-N 0 0 387.431 2.717 10 0 GFAERN O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc21 ZINC000669678975 570493691 /nfs/dbraw/zinc/49/36/91/570493691.db2.gz VMVOHHPQIAPYHG-NRFANRHFSA-N 0 0 392.430 2.836 10 0 GFAERN CCOC(=O)CC1=CC(=O)N(CC(=O)N[C@@H](C)CC)c2cc(C)c(C)cc2N1 ZINC000035480640 570809175 /nfs/dbraw/zinc/80/91/75/570809175.db2.gz SXRDBFULLDQKGK-HNNXBMFYSA-N 0 0 387.480 2.814 10 0 GFAERN C[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000025736909 654552786 /nfs/dbraw/zinc/55/27/86/654552786.db2.gz DAKMZKUZRWHLQL-YGRLFVJLSA-N 0 0 379.309 2.985 10 0 GFAERN C[C@@H](C(=O)NCc1ccc(Br)s1)N1C(=O)c2ccccc2C1=O ZINC000026042390 654555355 /nfs/dbraw/zinc/55/53/55/654555355.db2.gz XECKMVQEAZLINZ-VIFPVBQESA-N 0 0 393.262 2.812 10 0 GFAERN Cc1ccccc1[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000041298426 654625754 /nfs/dbraw/zinc/62/57/54/654625754.db2.gz NNCZGTHEUQTNLE-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN CCCNS(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000046543013 654682159 /nfs/dbraw/zinc/68/21/59/654682159.db2.gz FEYZEWORDYRWTR-WYMLVPIESA-N 0 0 380.491 2.788 10 0 GFAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@@H](CCO)C1 ZINC000122796015 654743514 /nfs/dbraw/zinc/74/35/14/654743514.db2.gz HABNCULEHKTEGL-VIFPVBQESA-N 0 0 398.706 2.504 10 0 GFAERN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000122975245 654748661 /nfs/dbraw/zinc/74/86/61/654748661.db2.gz XKJGJSAGTLLHHV-LLVKDONJSA-N 0 0 386.520 2.868 10 0 GFAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cc(I)c(F)cc1F ZINC000124364350 654775519 /nfs/dbraw/zinc/77/55/19/654775519.db2.gz FOUZXDKFBKCICQ-OCAPTIKFSA-N 0 0 381.160 2.819 10 0 GFAERN C[C@@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)c1ccccc1Br ZINC000058835253 654823097 /nfs/dbraw/zinc/82/30/97/654823097.db2.gz NNROKHGZBGIZMR-OLZOCXBDSA-N 0 0 393.285 2.542 10 0 GFAERN Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(Br)n1 ZINC000128227196 654842651 /nfs/dbraw/zinc/84/26/51/654842651.db2.gz COJSIGHRHFQKPE-SNVBAGLBSA-N 0 0 388.221 2.776 10 0 GFAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C)c1cccc(Br)c1 ZINC000131379736 654904596 /nfs/dbraw/zinc/90/45/96/654904596.db2.gz YNVRVMDODXIKOO-QJPTWQEYSA-N 0 0 389.315 2.727 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)C1 ZINC000131875885 654920047 /nfs/dbraw/zinc/92/00/47/654920047.db2.gz DTRJPIFSCFJBIB-AWEZNQCLSA-N 0 0 386.901 2.612 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(C)nc3Br)CCO2)n1 ZINC000133210056 654956787 /nfs/dbraw/zinc/95/67/87/654956787.db2.gz XBGDLJMYYYRBKJ-AWEZNQCLSA-N 0 0 393.285 2.507 10 0 GFAERN COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000133233333 654957528 /nfs/dbraw/zinc/95/75/28/654957528.db2.gz HPAOIOKGNZMPOQ-CYBMUJFWSA-N 0 0 384.454 2.985 10 0 GFAERN COC(=O)N[C@@H](C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000133305531 654959936 /nfs/dbraw/zinc/95/99/36/654959936.db2.gz RWVDXYSUCMVCLY-CQSZACIVSA-N 0 0 377.268 2.695 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(OC)c(Br)s2)C[C@@H]1C ZINC000135095127 655009488 /nfs/dbraw/zinc/00/94/88/655009488.db2.gz XTXHCONOGJHVTE-NSHDSACASA-N 0 0 391.331 2.702 10 0 GFAERN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000135877734 655025007 /nfs/dbraw/zinc/02/50/07/655025007.db2.gz INXVQZWVKWOULG-RYUDHWBXSA-N 0 0 399.285 2.811 10 0 GFAERN C[C@H]1CN(C(=O)Nc2cc(F)ccc2Br)C[C@H]1N1CCOCC1 ZINC000136446730 655031703 /nfs/dbraw/zinc/03/17/03/655031703.db2.gz GRQLYMFOSSZBOW-XHDPSFHLSA-N 0 0 386.265 2.773 10 0 GFAERN CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C)o2)ccc1Cl ZINC000096946464 655032484 /nfs/dbraw/zinc/03/24/84/655032484.db2.gz ZLTHOQBLDJHFDU-NSHDSACASA-N 0 0 386.857 2.914 10 0 GFAERN CN(C)C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 ZINC000096965436 655032587 /nfs/dbraw/zinc/03/25/87/655032587.db2.gz GUUWXEHQWPOWCD-QGZVFWFLSA-N 0 0 380.897 2.776 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(F)c(Cl)c1 ZINC000098038756 655038778 /nfs/dbraw/zinc/03/87/78/655038778.db2.gz XNAAEXPYLCEAEP-JTQLQIEISA-N 0 0 391.873 2.922 10 0 GFAERN CC(C)[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000101769923 655047119 /nfs/dbraw/zinc/04/71/19/655047119.db2.gz RXAWDTPXAXFEIC-CYBMUJFWSA-N 0 0 382.302 2.961 10 0 GFAERN COC(=O)N[C@@H](C(=O)Nc1cnn(-c2ccccc2Br)c1)C(C)C ZINC000154959037 655079494 /nfs/dbraw/zinc/07/94/94/655079494.db2.gz UMRDQKSPGWHDPC-CQSZACIVSA-N 0 0 395.257 2.954 10 0 GFAERN COCCN1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000106110062 655103015 /nfs/dbraw/zinc/10/30/15/655103015.db2.gz OXNBWVLQIAWQRS-KGLIPLIRSA-N 0 0 388.339 2.823 10 0 GFAERN CCOCCN1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000106111753 655103041 /nfs/dbraw/zinc/10/30/41/655103041.db2.gz GYFBOGIWJCYXJW-GJZGRUSLSA-N 0 0 398.345 2.819 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000106395124 655107894 /nfs/dbraw/zinc/10/78/94/655107894.db2.gz RWRRUNJMJAXPID-CQSZACIVSA-N 0 0 379.551 2.694 10 0 GFAERN O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)[C@H]1CNC(=O)C1 ZINC000107020640 655116732 /nfs/dbraw/zinc/11/67/32/655116732.db2.gz DPDXZSPYHKWUCR-KSBSHMNSSA-N 0 0 384.123 2.871 10 0 GFAERN O=C(O[C@@H](c1cc(Br)ccc1F)C(F)(F)F)[C@@H]1CNC(=O)C1 ZINC000107020643 655116744 /nfs/dbraw/zinc/11/67/44/655116744.db2.gz DPDXZSPYHKWUCR-KGFZYKRKSA-N 0 0 384.123 2.871 10 0 GFAERN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000107356953 655120063 /nfs/dbraw/zinc/12/00/63/655120063.db2.gz RBRKGIZKCUYRGN-CYBMUJFWSA-N 0 0 386.323 2.941 10 0 GFAERN CCN(CC)c1nc2sc(C(=O)NC[C@@H](C)N3CCOCC3)cc2s1 ZINC000108833543 655138635 /nfs/dbraw/zinc/13/86/35/655138635.db2.gz PUWQFJCTGDVIJL-GFCCVEGCSA-N 0 0 382.555 2.655 10 0 GFAERN Cc1ccc([C@H](CNc2ncc(C(N)=O)cc2Cl)N2CCOCC2)s1 ZINC000109320644 655144961 /nfs/dbraw/zinc/14/49/61/655144961.db2.gz CRXQXSQWCAZFDK-AWEZNQCLSA-N 0 0 380.901 2.689 10 0 GFAERN Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000170706699 655145143 /nfs/dbraw/zinc/14/51/43/655145143.db2.gz AUJVCJGVTBDOAZ-CQSZACIVSA-N 0 0 375.222 2.946 10 0 GFAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000109361943 655145439 /nfs/dbraw/zinc/14/54/39/655145439.db2.gz OCLMJFOIHIDGAK-ZDUSSCGKSA-N 0 0 387.933 2.762 10 0 GFAERN CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2F)C1 ZINC000171072762 655148226 /nfs/dbraw/zinc/14/82/26/655148226.db2.gz OHXHRXNXFSUVPK-NSHDSACASA-N 0 0 376.425 2.643 10 0 GFAERN O=C(c1ccc(Br)cc1O)N1CCC(Nc2cccnn2)CC1 ZINC000109637967 655149508 /nfs/dbraw/zinc/14/95/08/655149508.db2.gz WSNFZQPENAKJBA-UHFFFAOYSA-N 0 0 377.242 2.661 10 0 GFAERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111080708 655164207 /nfs/dbraw/zinc/16/42/07/655164207.db2.gz GPSBCEOJIAYWLC-LRDDRELGSA-N 0 0 384.263 2.885 10 0 GFAERN O=C(c1ccc(C2SCCS2)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111087957 655164386 /nfs/dbraw/zinc/16/43/86/655164386.db2.gz ZNLXHSFVRFERGG-INIZCTEOSA-N 0 0 375.519 2.903 10 0 GFAERN CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1ccc(Br)cc1 ZINC000173276704 655166895 /nfs/dbraw/zinc/16/68/95/655166895.db2.gz PMPPRUUSAFMWRL-AWEZNQCLSA-N 0 0 399.285 2.701 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(Cl)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000173401893 655170142 /nfs/dbraw/zinc/17/01/42/655170142.db2.gz VQDLXHMOGNEBLA-NHYWBVRUSA-N 0 0 387.705 2.895 10 0 GFAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(Br)cc2)ncn1 ZINC000173407717 655170456 /nfs/dbraw/zinc/17/04/56/655170456.db2.gz DCNJRTDQULMXDO-AWEZNQCLSA-N 0 0 390.285 2.680 10 0 GFAERN CNC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3nccs3)C2)cc1Cl ZINC000111732050 655176990 /nfs/dbraw/zinc/17/69/90/655176990.db2.gz JQWMBNOKRFAHBD-CYBMUJFWSA-N 0 0 380.857 2.762 10 0 GFAERN CCOCCN1CCN(C(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000111799399 655177469 /nfs/dbraw/zinc/17/74/69/655177469.db2.gz LWFQQELZACQQNH-AWEZNQCLSA-N 0 0 384.318 2.874 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000112036798 655181054 /nfs/dbraw/zinc/18/10/54/655181054.db2.gz SQDFNWHBBKMGER-LBPRGKRZSA-N 0 0 393.285 2.914 10 0 GFAERN CCc1noc([C@H](C)N2CCN(Cn3nc(C)c(Br)c3C)CC2)n1 ZINC000112070617 655181771 /nfs/dbraw/zinc/18/17/71/655181771.db2.gz KMTGSMRWOSJCEF-ZDUSSCGKSA-N 0 0 397.321 2.544 10 0 GFAERN CCc1noc([C@H](C)N2CCN(Cn3nc(C4CC4)sc3=S)CC2)n1 ZINC000173893636 655184144 /nfs/dbraw/zinc/18/41/44/655184144.db2.gz OSGKAYJCVMELHF-NSHDSACASA-N 0 0 380.543 2.833 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)c(F)c1 ZINC000174238873 655194698 /nfs/dbraw/zinc/19/46/98/655194698.db2.gz RZIVAXGRBIAVBP-CYBMUJFWSA-N 0 0 393.278 2.731 10 0 GFAERN CCN(C(=O)N[C@@H](C)c1cccc(Br)c1)[C@H](C)CS(C)(=O)=O ZINC000112715119 655196311 /nfs/dbraw/zinc/19/63/11/655196311.db2.gz OGVVAPHWSIVKCM-NEPJUHHUSA-N 0 0 391.331 2.975 10 0 GFAERN CCN(C(=O)N[C@H](C)c1cccc(Br)c1)[C@H](C)CS(C)(=O)=O ZINC000112715121 655196319 /nfs/dbraw/zinc/19/63/19/655196319.db2.gz OGVVAPHWSIVKCM-VXGBXAGGSA-N 0 0 391.331 2.975 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1ccc(C=O)[nH]1)c1cccc(Br)c1 ZINC000175166098 655214228 /nfs/dbraw/zinc/21/42/28/655214228.db2.gz JLAPUFUGLBBZRB-AWEZNQCLSA-N 0 0 379.210 2.624 10 0 GFAERN C[C@@H](OC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1CCOC1 ZINC000175274799 655217540 /nfs/dbraw/zinc/21/75/40/655217540.db2.gz IGUHIUQEDKQFLZ-GHMZBOCLSA-N 0 0 388.233 2.676 10 0 GFAERN C[C@H](OC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@H]1CCOC1 ZINC000175289163 655218242 /nfs/dbraw/zinc/21/82/42/655218242.db2.gz FDSYCLNAIZNLKN-UWVGGRQHSA-N 0 0 376.272 2.551 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1ccc(Br)s1)CC2 ZINC000114919628 655230515 /nfs/dbraw/zinc/23/05/15/655230515.db2.gz NMBBIDSOWYSIGN-SNVBAGLBSA-N 0 0 398.330 2.521 10 0 GFAERN C[C@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000176507173 655248524 /nfs/dbraw/zinc/24/85/24/655248524.db2.gz BIBKOQWRJKEKLS-WMLDXEAASA-N 0 0 381.314 2.561 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3F)C2)n1 ZINC000116900108 655256205 /nfs/dbraw/zinc/25/62/05/655256205.db2.gz ZPQCERAUMAGJCU-ZDUSSCGKSA-N 0 0 386.880 2.788 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc(Br)ccc3O)C2)n1 ZINC000116977611 655258034 /nfs/dbraw/zinc/25/80/34/655258034.db2.gz QCTNWEUDWOJCQP-ZDUSSCGKSA-N 0 0 393.285 2.915 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(Br)ccc2O)C[C@@H]1CC ZINC000116977271 655258214 /nfs/dbraw/zinc/25/82/14/655258214.db2.gz WPXDYGJOJDMRNC-AWEZNQCLSA-N 0 0 385.302 2.728 10 0 GFAERN COCCN1CCN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@H]1C ZINC000117290571 655263348 /nfs/dbraw/zinc/26/33/48/655263348.db2.gz APZHROSCTYYUKS-GFCCVEGCSA-N 0 0 380.286 2.723 10 0 GFAERN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000176950796 655263443 /nfs/dbraw/zinc/26/34/43/655263443.db2.gz KPDXYDKKNKMTHU-IAQYHMDHSA-N 0 0 399.285 2.859 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3cccc(Br)c3C)CCO2)[nH]1 ZINC000177069208 655266948 /nfs/dbraw/zinc/26/69/48/655266948.db2.gz UTKVVITZVLQTOO-CYBMUJFWSA-N 0 0 380.246 2.789 10 0 GFAERN Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c1 ZINC000117808380 655268322 /nfs/dbraw/zinc/26/83/22/655268322.db2.gz UEAOWFXOHGYRKR-LBPRGKRZSA-N 0 0 381.263 2.668 10 0 GFAERN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177280316 655272744 /nfs/dbraw/zinc/27/27/44/655272744.db2.gz NPODOVBSXMNSEQ-IGCXYCKISA-N 0 0 386.323 2.973 10 0 GFAERN O=C(Nc1ccc(F)cc1I)N[C@@H]1CCCC[C@@H]1O ZINC000177282619 655273057 /nfs/dbraw/zinc/27/30/57/655273057.db2.gz AFBGMVOUBQBYRC-NEPJUHHUSA-N 0 0 378.185 2.855 10 0 GFAERN CCOc1c(Br)cc(C(=O)N[C@@H]2CCCn3ncnc32)cc1OC ZINC000177534885 655280192 /nfs/dbraw/zinc/28/01/92/655280192.db2.gz NHDFRYSWTNBSRX-GFCCVEGCSA-N 0 0 395.257 2.713 10 0 GFAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@@H](Oc2cccnc2)C1 ZINC000178085366 655297204 /nfs/dbraw/zinc/29/72/04/655297204.db2.gz BACAVHWZJLVJAC-CYBMUJFWSA-N 0 0 391.221 2.866 10 0 GFAERN CSc1nc(C)c(CCc2nc(-c3ccc(Br)o3)no2)c(=O)[nH]1 ZINC000178257317 655300618 /nfs/dbraw/zinc/30/06/18/655300618.db2.gz OPTGNVUCVXYSKY-UHFFFAOYSA-N 0 0 397.254 2.991 10 0 GFAERN C[C@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)c1ccccc1Br ZINC000120171885 655330076 /nfs/dbraw/zinc/33/00/76/655330076.db2.gz NNROKHGZBGIZMR-STQMWFEESA-N 0 0 393.285 2.542 10 0 GFAERN C[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)c1cccc(Br)c1 ZINC000120522115 655337922 /nfs/dbraw/zinc/33/79/22/655337922.db2.gz SYMAATUSQNCAGZ-CHWSQXEVSA-N 0 0 393.285 2.542 10 0 GFAERN COc1ccc([C@H](OC(=O)[C@@H]2CNC(=O)C2)C(F)(F)F)cc1Br ZINC000182099101 655342221 /nfs/dbraw/zinc/34/22/21/655342221.db2.gz WBFNEYDWYVLZDK-UFBFGSQYSA-N 0 0 396.159 2.740 10 0 GFAERN C[C@@H](OC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccc(Cl)c1F ZINC000186367552 655369067 /nfs/dbraw/zinc/36/90/67/655369067.db2.gz PCBGHPDUKKHDCZ-LLVKDONJSA-N 0 0 386.832 2.799 10 0 GFAERN O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@@H]1CCn2ccnc2C1 ZINC000328639225 655386983 /nfs/dbraw/zinc/38/69/83/655386983.db2.gz WTLHTYNCMHHUNX-OAUONFCTSA-N 0 0 396.310 2.798 10 0 GFAERN CCn1cc([C@@H]2CN(Cn3nc(C(F)(F)F)sc3=S)CCO2)cn1 ZINC000189843066 655388740 /nfs/dbraw/zinc/38/87/40/655388740.db2.gz BVIXZNZMAOMCGC-JTQLQIEISA-N 0 0 379.433 2.940 10 0 GFAERN C[C@@H]1OCCC[C@@H]1C(=O)Oc1cc([N+](=O)[O-])ccc1I ZINC000192301349 655404419 /nfs/dbraw/zinc/40/44/19/655404419.db2.gz YOMZQLJMSPPOSP-WPRPVWTQSA-N 0 0 391.161 2.920 10 0 GFAERN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000246398349 655429993 /nfs/dbraw/zinc/42/99/93/655429993.db2.gz AEMTYJSDWHJLQA-GUBZILKMSA-N 0 0 376.272 2.597 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000262945494 655448037 /nfs/dbraw/zinc/44/80/37/655448037.db2.gz IFKHXMQVOZYECB-LBPRGKRZSA-N 0 0 395.308 2.553 10 0 GFAERN COc1ccc(Br)c(CNC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000263499422 655452338 /nfs/dbraw/zinc/45/23/38/655452338.db2.gz KLUSZAGTEQMHST-UHFFFAOYSA-N 0 0 397.313 2.875 10 0 GFAERN C[C@H](NC(=O)c1cc(Br)cc(Br)c1)c1cn(C)nn1 ZINC000720614751 655524533 /nfs/dbraw/zinc/52/45/33/655524533.db2.gz OLUSIBJACOQLLX-ZETCQYMHSA-N 0 0 388.063 2.831 10 0 GFAERN CCc1nnc([C@H]2CN(S(=O)(=O)/C=C\c3ccccc3Cl)CCO2)o1 ZINC000886048352 663102697 /nfs/dbraw/zinc/10/26/97/663102697.db2.gz ZGHAFCYDUWBAEV-JKEYDSJLSA-N 0 0 383.857 2.659 10 0 GFAERN O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)c1ccc(C2SCCCS2)cc1 ZINC000909158012 664147149 /nfs/dbraw/zinc/14/71/49/664147149.db2.gz UXQQRLGYDCYTFM-OAGGEKHMSA-N 0 0 375.519 2.856 10 0 GFAERN C[C@@H]1CCO[C@@H]1C(=O)NC[C@]1(C)C[C@H](NC(=O)[C@H]2OCC[C@@H]2C)CC(C)(C)C1 ZINC000241644385 231038534 /nfs/dbraw/zinc/03/85/34/231038534.db2.gz PQHRHACFUFRSPA-ORHUHTHUSA-N 0 0 394.556 2.654 10 0 GFAERN C[C@@H]1CN(c2ccc3c(=O)c(C(=O)[O-])cn(-c4ccc(F)cc4F)c3c2)CC[NH2+]1 ZINC000503916033 231281202 /nfs/dbraw/zinc/28/12/02/231281202.db2.gz FZIBXLZWSGLCHY-GFCCVEGCSA-N 0 0 399.397 2.765 10 0 GFAERN O=C(Nc1ccc(F)cc1)c1ccc(CS(=O)(=O)c2nncs2)cc1 ZINC000034290740 212160866 /nfs/dbraw/zinc/16/08/66/212160866.db2.gz MIICAJCUWHRQCD-UHFFFAOYSA-N 0 0 377.422 2.903 10 0 GFAERN Ic1ncnc2c1ncn2[C@@H]1COc2ccccc2CO1 ZINC000029128825 212157655 /nfs/dbraw/zinc/15/76/55/212157655.db2.gz YHCREEWGPUDUBG-NSHDSACASA-N 0 0 394.172 2.539 10 0 GFAERN CCn1c2nc(/C=C/c3ccc(F)c(Cl)c3)n(C)c2c(=O)n(CC)c1=O ZINC000033984805 212160761 /nfs/dbraw/zinc/16/07/61/212160761.db2.gz AYWHDMAWPYKXNU-VQHVLOKHSA-N 0 0 376.819 2.899 10 0 GFAERN c1ccc(C[NH+]2CCN3CCN(CC2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000019365735 212149469 /nfs/dbraw/zinc/14/94/69/212149469.db2.gz UCEDWWORPBBYIP-UHFFFAOYSA-N 0 0 378.564 2.622 10 0 GFAERN CCn1nc(C(=O)Nc2ccnn2Cc2cccs2)c2ccccc2c1=O ZINC000008937621 221064620 /nfs/dbraw/zinc/06/46/20/221064620.db2.gz XGCFUVREHXIQBW-UHFFFAOYSA-N 0 0 379.445 2.975 10 0 GFAERN CN(CC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1)Cc1ccccn1 ZINC000012298902 221175957 /nfs/dbraw/zinc/17/59/57/221175957.db2.gz BZBQGZPDQHXOHK-UHFFFAOYSA-N 0 0 379.439 2.628 10 0 GFAERN COC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)cc1 ZINC000012199059 221166207 /nfs/dbraw/zinc/16/62/07/221166207.db2.gz TVGALHQCEBBLTE-UHFFFAOYSA-N 0 0 388.445 2.791 10 0 GFAERN c1ccc2c(c1)OC[C@H](CCNc1nncc(-c3ccc4c(c3)OCO4)n1)O2 ZINC000012458259 221198196 /nfs/dbraw/zinc/19/81/96/221198196.db2.gz LIVMUORPFZYLLL-AWEZNQCLSA-N 0 0 378.388 2.909 10 0 GFAERN Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c(C)o1 ZINC000012719028 221220439 /nfs/dbraw/zinc/22/04/39/221220439.db2.gz PZJCZUGCEIHEBN-QGZVFWFLSA-N 0 0 384.480 2.967 10 0 GFAERN COc1ccccc1CC(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1 ZINC000012753563 221225497 /nfs/dbraw/zinc/22/54/97/221225497.db2.gz LSOOYHOLBFULDE-UHFFFAOYSA-N 0 0 382.464 2.646 10 0 GFAERN CCn1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(=O)c2ccc(C)nc21 ZINC000012785091 221231374 /nfs/dbraw/zinc/23/13/74/221231374.db2.gz SEAAGGRNQSDCDW-LBPRGKRZSA-N 0 0 392.415 2.697 10 0 GFAERN COC(=O)CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000014969283 221322397 /nfs/dbraw/zinc/32/23/97/221322397.db2.gz DZXHVKADRGRHES-QFIPXVFZSA-N 0 0 386.492 2.679 10 0 GFAERN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2)N1CCN1CCOCC1 ZINC000015105850 221332841 /nfs/dbraw/zinc/33/28/41/221332841.db2.gz OCKWGKNHZZITOK-QFIPXVFZSA-N 0 0 388.471 2.954 10 0 GFAERN O=C(/C=C/c1cccs1)N1CCCC[C@H]1CCn1cc(C(=O)NC2CC2)nn1 ZINC000014990878 221325118 /nfs/dbraw/zinc/32/51/18/221325118.db2.gz OUVYMERKFGIIBT-FDMDGMSGSA-N 0 0 399.520 2.716 10 0 GFAERN CCN1CCN(C(=O)c2csc3nc(-c4ccccc4F)cn23)[C@@H](C)C1=O ZINC000019838433 221457430 /nfs/dbraw/zinc/45/74/30/221457430.db2.gz ADOXBEJPZIOAEN-LBPRGKRZSA-N 0 0 386.452 2.895 10 0 GFAERN O=C(NCc1cccc(F)c1)C1CCN(c2cnc(N3CCCC3)nc2)CC1 ZINC000065166296 136159827 /nfs/dbraw/zinc/15/98/27/136159827.db2.gz SPDHAZGVWHGOOW-UHFFFAOYSA-N 0 0 383.471 2.749 10 0 GFAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1ccccc1Cl ZINC000224148261 136206464 /nfs/dbraw/zinc/20/64/64/136206464.db2.gz CZJNDEIIBXFFEO-UHFFFAOYSA-N 0 0 376.848 2.677 10 0 GFAERN Cc1nc2c(cnn2-c2ccc(F)cc2)c(N2CCN(C(=O)C3CCC3)CC2)n1 ZINC000035992317 221836513 /nfs/dbraw/zinc/83/65/13/221836513.db2.gz PYXHMNFYSFFTND-UHFFFAOYSA-N 0 0 394.454 2.712 10 0 GFAERN CCN1C(SCC(=O)Nc2ccc(OC)cc2)=c2cc(C)sc2=N[C@H]1C ZINC000038805736 221884710 /nfs/dbraw/zinc/88/47/10/221884710.db2.gz QJQKVJZBYSIZFA-CYBMUJFWSA-N 0 0 389.546 2.804 10 0 GFAERN CCOC(=O)[C@H](CC(C)C)N[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O ZINC000041104822 221938450 /nfs/dbraw/zinc/93/84/50/221938450.db2.gz NRRVVWXWMFPPSD-IRXDYDNUSA-N 0 0 391.512 2.597 10 0 GFAERN COC(=O)c1ccccc1N(CC(=O)c1ccccc1Cl)S(C)(=O)=O ZINC000057486382 222033075 /nfs/dbraw/zinc/03/30/75/222033075.db2.gz IOKMXGCWZFAUMB-UHFFFAOYSA-N 0 0 381.837 2.776 10 0 GFAERN COc1cccc([C@]2(CN3CCN(C(=O)c4ccccc4)CC3)CCOC2)c1 ZINC000055167478 222015936 /nfs/dbraw/zinc/01/59/36/222015936.db2.gz GYHICNAMUMVOSP-QHCPKHFHSA-N 0 0 380.488 2.811 10 0 GFAERN COCCNc1nc(CN2CCCC[C@H]2C(=O)OC)nc2ccc(Cl)cc21 ZINC000055099127 222016407 /nfs/dbraw/zinc/01/64/07/222016407.db2.gz VYIUPNWHEADZKP-INIZCTEOSA-N 0 0 392.887 2.869 10 0 GFAERN COc1ccc(-n2cc(CN3CCNC(=O)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000055182949 222016709 /nfs/dbraw/zinc/01/67/09/222016709.db2.gz BAQYXGITISYAMK-UHFFFAOYSA-N 0 0 380.423 2.619 10 0 GFAERN CCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000064999841 222093602 /nfs/dbraw/zinc/09/36/02/222093602.db2.gz DAOZYZOTEAVYAO-UHFFFAOYSA-N 0 0 394.518 2.576 10 0 GFAERN CCN1CCCn2nc(C3CCN(C(=O)/C=C/c4ccco4)CC3)cc2C1=O ZINC000065225804 222112859 /nfs/dbraw/zinc/11/28/59/222112859.db2.gz JMTLPQSKASYEQV-VOTSOKGWSA-N 0 0 382.464 2.761 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)n(C)c(=O)n2C)c1ccccc1 ZINC000064976632 222091229 /nfs/dbraw/zinc/09/12/29/222091229.db2.gz GPHZVHBXVQOJOQ-LLVKDONJSA-N 0 0 379.869 2.570 10 0 GFAERN CC(C)Oc1ccc(CNC(=O)c2cnn3c2ncc2c3CCCC2=O)cc1 ZINC000064987383 222092367 /nfs/dbraw/zinc/09/23/67/222092367.db2.gz HFVGTRJELJKJJJ-UHFFFAOYSA-N 0 0 378.432 2.966 10 0 GFAERN O=C(NCCc1ccncc1)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272923 222118650 /nfs/dbraw/zinc/11/86/50/222118650.db2.gz QEJQJFYPKYDJQX-INIZCTEOSA-N 0 0 383.517 2.843 10 0 GFAERN O=C(c1nc(CCc2ccccc2)nn1-c1ccc(F)cc1)N1CCOCC1 ZINC000065382883 222126876 /nfs/dbraw/zinc/12/68/76/222126876.db2.gz QQHOVQWJSGICSB-UHFFFAOYSA-N 0 0 380.423 2.664 10 0 GFAERN Fc1ccc(-c2cnnc(N3CCN(CCOc4ccccc4)CC3)n2)cc1 ZINC000067885236 222164926 /nfs/dbraw/zinc/16/49/26/222164926.db2.gz GGBVMTSEDKBNIH-UHFFFAOYSA-N 0 0 379.439 2.879 10 0 GFAERN COc1ccc(CS(=O)(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000095076403 222328652 /nfs/dbraw/zinc/32/86/52/222328652.db2.gz GHGOOULCYJIFDS-UHFFFAOYSA-N 0 0 398.525 2.762 10 0 GFAERN CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ncc(Cl)cn2)CC1 ZINC000095084228 222330550 /nfs/dbraw/zinc/33/05/50/222330550.db2.gz QCLGBPUWHOFTED-UHFFFAOYSA-N 0 0 375.878 2.551 10 0 GFAERN CCn1c(=O)c2sccc2nc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000057346634 523108836 /nfs/dbraw/zinc/10/88/36/523108836.db2.gz ZGBYVOOLERJPME-LBPRGKRZSA-N 0 0 378.498 2.971 10 0 GFAERN C[C@H](NC(=O)NCCC(=O)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049787937 551159462 /nfs/dbraw/zinc/15/94/62/551159462.db2.gz FUNYQFCPBJSMPX-LBPRGKRZSA-N 0 0 387.311 2.518 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCN1C(=O)CSC1=O ZINC000052413603 551163770 /nfs/dbraw/zinc/16/37/70/551163770.db2.gz WGQWVITZYBULFG-MRVPVSSYSA-N 0 0 377.249 2.572 10 0 GFAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000119447087 551216152 /nfs/dbraw/zinc/21/61/52/551216152.db2.gz HLUWLKXGLZWEJY-UHFFFAOYSA-N 0 0 391.269 2.527 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(-c3ccc(Cl)s3)on2)n1 ZINC000121136223 551227790 /nfs/dbraw/zinc/22/77/90/551227790.db2.gz CITZSLJGCHZDON-JTQLQIEISA-N 0 0 380.813 2.962 10 0 GFAERN Cc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121723456 551240679 /nfs/dbraw/zinc/24/06/79/551240679.db2.gz MMZMDVSBACXTST-LLVKDONJSA-N 0 0 399.314 2.725 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000123615492 551307384 /nfs/dbraw/zinc/30/73/84/551307384.db2.gz PHNIEHZUAHLZSH-JTQLQIEISA-N 0 0 391.221 2.994 10 0 GFAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)CC(F)(F)F)cc1 ZINC000124440590 551314794 /nfs/dbraw/zinc/31/47/94/551314794.db2.gz OFFOVWMROSJIGB-CQSZACIVSA-N 0 0 380.432 2.709 10 0 GFAERN O=C(Nc1cncc(Br)c1)N1CCC(Nc2cccnn2)CC1 ZINC000126281347 551327635 /nfs/dbraw/zinc/32/76/35/551327635.db2.gz DLLUUHMXJPRTHB-UHFFFAOYSA-N 0 0 377.246 2.743 10 0 GFAERN CCc1ncc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)cn1 ZINC000127508510 551341619 /nfs/dbraw/zinc/34/16/19/551341619.db2.gz XJHXACINGJCMGM-SNVBAGLBSA-N 0 0 377.242 2.617 10 0 GFAERN Cc1ccc(Cl)c(S(=O)(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000127574536 551342106 /nfs/dbraw/zinc/34/21/06/551342106.db2.gz AXAVTPFXNLJIOW-CQSZACIVSA-N 0 0 380.901 2.728 10 0 GFAERN Cc1nn(C)c(OCC(F)(F)F)c1CN1CCO[C@H](c2nccs2)C1 ZINC000129288326 551355595 /nfs/dbraw/zinc/35/55/95/551355595.db2.gz DAVLIXMFJIIXKR-LBPRGKRZSA-N 0 0 376.404 2.700 10 0 GFAERN O=C(c1cc(Cl)cc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000130578459 551366756 /nfs/dbraw/zinc/36/67/56/551366756.db2.gz BQMKVLIVJPPLKH-AWEZNQCLSA-N 0 0 384.661 2.840 10 0 GFAERN COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)sc1S(N)(=O)=O ZINC000151587780 551416974 /nfs/dbraw/zinc/41/69/74/551416974.db2.gz BOEHZPGWPRFIAZ-ZETCQYMHSA-N 0 0 392.861 2.688 10 0 GFAERN CSCC[C@@H](NC(=O)[C@@H](C)N1CCSCC1)c1nc2ccccc2[nH]1 ZINC000152325955 551431004 /nfs/dbraw/zinc/43/10/04/551431004.db2.gz HXARCIOSFUUAHU-CZUORRHYSA-N 0 0 378.567 2.911 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000153661833 551457624 /nfs/dbraw/zinc/45/76/24/551457624.db2.gz INNPJQFABWVMOS-ZANVPECISA-N 0 0 389.677 2.708 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000154989588 551488163 /nfs/dbraw/zinc/48/81/63/551488163.db2.gz CPYWPUHIWJAAPS-VBQJREDUSA-N 0 0 396.329 2.878 10 0 GFAERN CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1ccccc1Br)C(=O)OC ZINC000155042682 551489774 /nfs/dbraw/zinc/48/97/74/551489774.db2.gz FUSBIFMXCXDFGB-MKBNYLNASA-N 0 0 385.302 2.804 10 0 GFAERN COc1ccncc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000155348198 551497903 /nfs/dbraw/zinc/49/79/03/551497903.db2.gz XGJIZVBMFINOLO-JTQLQIEISA-N 0 0 378.226 2.669 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(OC)c(Br)c2)C1 ZINC000158508424 551552830 /nfs/dbraw/zinc/55/28/30/551552830.db2.gz KIPZUPFBSBFNKQ-GFCCVEGCSA-N 0 0 385.258 2.552 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)CSc1cccc(Br)c1)CC2 ZINC000162922052 551614249 /nfs/dbraw/zinc/61/42/49/551614249.db2.gz NUSUJNRDLZMWLK-LBPRGKRZSA-N 0 0 395.326 2.826 10 0 GFAERN Cc1[nH]c(=O)c(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1Br ZINC000163194922 551617418 /nfs/dbraw/zinc/61/74/18/551617418.db2.gz UEFDCOUKGOPAGR-LBPRGKRZSA-N 0 0 378.226 2.547 10 0 GFAERN C[C@H](C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000164089185 551623888 /nfs/dbraw/zinc/62/38/88/551623888.db2.gz HNPNVXZQESNQNZ-GRDNDAEWSA-N 0 0 381.314 2.732 10 0 GFAERN CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000171464388 551656342 /nfs/dbraw/zinc/65/63/42/551656342.db2.gz IKZISSPBNCMHBJ-AWEZNQCLSA-N 0 0 396.262 2.716 10 0 GFAERN CC(C)c1n[nH]c(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1Br ZINC000171615956 551658831 /nfs/dbraw/zinc/65/88/31/551658831.db2.gz NFOQSSSMPJUFEO-JTQLQIEISA-N 0 0 395.305 2.755 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1ccc(Br)s1)CC2 ZINC000172121653 551670795 /nfs/dbraw/zinc/67/07/95/551670795.db2.gz MLRRYURCEUNMQS-JTQLQIEISA-N 0 0 383.315 2.899 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000172665566 551684829 /nfs/dbraw/zinc/68/48/29/551684829.db2.gz FZGSIXBXEDKHMT-CABZTGNLSA-N 0 0 376.787 2.547 10 0 GFAERN CC(C)(C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000172756431 551686386 /nfs/dbraw/zinc/68/63/86/551686386.db2.gz CKNDALWZXUYRNX-INIZCTEOSA-N 0 0 381.314 2.660 10 0 GFAERN C[C@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000172992086 551691582 /nfs/dbraw/zinc/69/15/82/551691582.db2.gz CRFHEFXPJPGZNQ-VIFPVBQESA-N 0 0 393.408 2.547 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)COc3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000173094545 551695826 /nfs/dbraw/zinc/69/58/26/551695826.db2.gz YFVYTCUAYPZCFX-CYBMUJFWSA-N 0 0 385.251 2.653 10 0 GFAERN Cn1cc([C@@H]2CCCN2[C@H](C(N)=O)c2ccc(Br)cc2F)cn1 ZINC000173316807 552082754 /nfs/dbraw/zinc/08/27/54/552082754.db2.gz CSXKIDBIIOICGX-GJZGRUSLSA-N 0 0 381.249 2.685 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(Br)cn1C(C)C)CC2 ZINC000173478084 552086202 /nfs/dbraw/zinc/08/62/02/552086202.db2.gz QDGAZADQBNNAFJ-LBPRGKRZSA-N 0 0 380.290 2.730 10 0 GFAERN C[C@H]1CN(C(=O)c2ccc(Br)cc2Cl)C[C@H]1N1CCOCC1 ZINC000173850698 552094137 /nfs/dbraw/zinc/09/41/37/552094137.db2.gz ATFQFFYNEHFXLV-XHDPSFHLSA-N 0 0 387.705 2.895 10 0 GFAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173963750 552095712 /nfs/dbraw/zinc/09/57/12/552095712.db2.gz IMTANQZXNXKLEY-NSHDSACASA-N 0 0 379.873 2.607 10 0 GFAERN COC(=O)c1ccsc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000174612548 552106760 /nfs/dbraw/zinc/10/67/60/552106760.db2.gz XMDOOKHIZVIPTL-RKDXNWHRSA-N 0 0 378.372 2.711 10 0 GFAERN CN1CCO[C@H](CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000175505691 552123472 /nfs/dbraw/zinc/12/34/72/552123472.db2.gz WTKSIQUWRWCDOY-LLVKDONJSA-N 0 0 396.702 2.655 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000175859161 552130383 /nfs/dbraw/zinc/13/03/83/552130383.db2.gz FYVYQLKWNBHIOG-UONOGXRCSA-N 0 0 384.267 2.761 10 0 GFAERN CCc1csc([C@H]2CCCN(C(=O)c3c(C)[nH]c(=O)nc3SC)C2)n1 ZINC000176303729 552138449 /nfs/dbraw/zinc/13/84/49/552138449.db2.gz HYVDFKIXMXDECX-NSHDSACASA-N 0 0 378.523 2.839 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000176342381 552138792 /nfs/dbraw/zinc/13/87/92/552138792.db2.gz XSFJYYBHESTYIZ-SECBINFHSA-N 0 0 376.511 2.843 10 0 GFAERN CNS(=O)(=O)c1csc(C(=O)N[C@H](C)c2ccc(F)cc2Cl)c1 ZINC000176431227 552140326 /nfs/dbraw/zinc/14/03/26/552140326.db2.gz MGHZCZQBEGUSTN-MRVPVSSYSA-N 0 0 376.862 2.940 10 0 GFAERN C[C@@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)[C@@H]1CCCO1 ZINC000176678809 552143687 /nfs/dbraw/zinc/14/36/87/552143687.db2.gz YEVLJKDNGFONPM-ABAIWWIYSA-N 0 0 388.917 2.714 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000177718732 552157614 /nfs/dbraw/zinc/15/76/14/552157614.db2.gz XJSFRHIKXRODKA-IINYFYTJSA-N 0 0 379.258 2.768 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C)ccc1I ZINC000177724331 552157900 /nfs/dbraw/zinc/15/79/00/552157900.db2.gz OOBABBIEGJJUMW-ZDUSSCGKSA-N 0 0 396.232 2.764 10 0 GFAERN C[C@H](NC(=O)NCCc1ccc(Cl)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000177867117 552160421 /nfs/dbraw/zinc/16/04/21/552160421.db2.gz DTNYIAWKFUWTDT-LBPRGKRZSA-N 0 0 381.885 2.741 10 0 GFAERN CCCNC(=O)CN(C)C(=O)CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179539224 552195440 /nfs/dbraw/zinc/19/54/40/552195440.db2.gz FOVWVGTXGXEHLO-SNVBAGLBSA-N 0 0 378.275 2.768 10 0 GFAERN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000179840075 552204553 /nfs/dbraw/zinc/20/45/53/552204553.db2.gz BDLBLCLURBLXQN-HOTGVXAUSA-N 0 0 384.263 2.541 10 0 GFAERN Cc1c(Br)cccc1CS(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180060893 552211842 /nfs/dbraw/zinc/21/18/42/552211842.db2.gz FIKZLZGIXFEVNT-UHFFFAOYSA-N 0 0 384.299 2.878 10 0 GFAERN CN1CCO[C@H](CNC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000180465625 552226764 /nfs/dbraw/zinc/22/67/64/552226764.db2.gz QNVADWJIJPBJFB-SNVBAGLBSA-N 0 0 381.192 2.528 10 0 GFAERN Cn1c(CSc2nnnn2-c2ccc(Br)cc2)nnc1C1CC1 ZINC000181510121 552258886 /nfs/dbraw/zinc/25/88/86/552258886.db2.gz ZBOAEGPHNXIEMF-UHFFFAOYSA-N 0 0 392.286 2.723 10 0 GFAERN COC(=O)C1(CNC(=O)N[C@H](C)c2cccc(Br)c2)CCOCC1 ZINC000181559092 552261283 /nfs/dbraw/zinc/26/12/83/552261283.db2.gz YWZBZJSANBWNDB-GFCCVEGCSA-N 0 0 399.285 2.779 10 0 GFAERN COC[C@@H](C)C(=O)Nc1ncc(Br)cc1I ZINC000181756486 552267145 /nfs/dbraw/zinc/26/71/45/552267145.db2.gz VYSFZYRCVFFDHH-ZCFIWIBFSA-N 0 0 399.026 2.670 10 0 GFAERN CCc1nnc(CS(=O)(=O)CCCc2ccccc2Br)n1C ZINC000182511780 552286172 /nfs/dbraw/zinc/28/61/72/552286172.db2.gz AVVJRSZBHKYNLT-UHFFFAOYSA-N 0 0 386.315 2.688 10 0 GFAERN CN(CC(C)(CO)CO)C(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183526184 552311745 /nfs/dbraw/zinc/31/17/45/552311745.db2.gz CHVBXBZENKHNBQ-GDBMZVCRSA-N 0 0 390.307 2.910 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2cccc(Br)c2Cl)C[C@@H]1C ZINC000184054401 552326408 /nfs/dbraw/zinc/32/64/08/552326408.db2.gz OIANBLZEZXYCJZ-WDEREUQCSA-N 0 0 375.694 2.630 10 0 GFAERN O=S(=O)(C1=Cc2ccccc2OCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000184561807 552338678 /nfs/dbraw/zinc/33/86/78/552338678.db2.gz KWDRXOGIJSCXBF-MRXNPFEDSA-N 0 0 378.475 2.670 10 0 GFAERN Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000184831717 552345392 /nfs/dbraw/zinc/34/53/92/552345392.db2.gz CMQXZKZGMAJQSH-LBPRGKRZSA-N 0 0 386.265 2.835 10 0 GFAERN COCCN1CCN(C(=O)CCc2ccc(C)cc2Br)C[C@@H]1C ZINC000185450725 552364085 /nfs/dbraw/zinc/36/40/85/552364085.db2.gz IIIGPRWBSWMNSJ-HNNXBMFYSA-N 0 0 383.330 2.869 10 0 GFAERN Cc1ccc(CCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000185556996 552365527 /nfs/dbraw/zinc/36/55/27/552365527.db2.gz HGHXYFOXKVQGTO-MAUKXSAKSA-N 0 0 395.341 2.869 10 0 GFAERN Cc1ccc(CCC(=O)N2CC[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000185534050 552365561 /nfs/dbraw/zinc/36/55/61/552365561.db2.gz QNBVZUNVMMNYDF-MRXNPFEDSA-N 0 0 381.314 2.623 10 0 GFAERN CSc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)cc1Cl ZINC000185903547 552373817 /nfs/dbraw/zinc/37/38/17/552373817.db2.gz OGBULCVXKQORDI-GFCCVEGCSA-N 0 0 386.930 2.754 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)c1ccccc1Br ZINC000186241015 552382728 /nfs/dbraw/zinc/38/27/28/552382728.db2.gz OMLXQMSZXCTTEA-SECBINFHSA-N 0 0 394.241 2.950 10 0 GFAERN CCC(=O)N1CC[C@H](N[C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186252098 552382820 /nfs/dbraw/zinc/38/28/20/552382820.db2.gz GNLQGJJWODMZPI-FUHWJXTLSA-N 0 0 389.297 2.929 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000186520488 552390071 /nfs/dbraw/zinc/39/00/71/552390071.db2.gz OHQKNZPIBOQCTH-SNVBAGLBSA-N 0 0 390.237 2.958 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)CCc2ccc(C)cc2Br)n1 ZINC000186618882 552392478 /nfs/dbraw/zinc/39/24/78/552392478.db2.gz QVFISOZJLDSXSK-HNNXBMFYSA-N 0 0 394.269 2.982 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000186803011 552398504 /nfs/dbraw/zinc/39/85/04/552398504.db2.gz WPPALCRFVFPCJU-JTQLQIEISA-N 0 0 387.274 2.963 10 0 GFAERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3cnn(CC(F)F)c3)C2)n1 ZINC000186986160 552403840 /nfs/dbraw/zinc/40/38/40/552403840.db2.gz WFJCRPIBKLQACI-LLVKDONJSA-N 0 0 390.481 2.735 10 0 GFAERN C[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)c1cccc(Br)c1 ZINC000187195688 552408650 /nfs/dbraw/zinc/40/86/50/552408650.db2.gz RXJKRNCLDZLPRH-ZWNOBZJWSA-N 0 0 377.229 2.592 10 0 GFAERN NC(=O)c1coc(CN[C@@H](c2ccc(Br)cc2)c2cncnc2)c1 ZINC000187734273 552423072 /nfs/dbraw/zinc/42/30/72/552423072.db2.gz RHDBIQXVYCFHBO-INIZCTEOSA-N 0 0 387.237 2.810 10 0 GFAERN CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187999569 552430376 /nfs/dbraw/zinc/43/03/76/552430376.db2.gz NOVVYHYCGUXTTE-LBPRGKRZSA-N 0 0 384.479 2.919 10 0 GFAERN Cc1ccc(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000188037402 552432159 /nfs/dbraw/zinc/43/21/59/552432159.db2.gz NMNSRNFLMUHZFF-HNNXBMFYSA-N 0 0 389.297 2.875 10 0 GFAERN O=C(CN1C[C@@H](c2ccsc2)[C@H](CO)C1)Nc1ccc(Br)cn1 ZINC000188055197 552432881 /nfs/dbraw/zinc/43/28/81/552432881.db2.gz CAXCEXVZYSZKFC-JSGCOSHPSA-N 0 0 396.310 2.552 10 0 GFAERN O=C(NC1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C1)C1CCC1 ZINC000188487562 552446511 /nfs/dbraw/zinc/44/65/11/552446511.db2.gz JCOYMUANCALQST-UHFFFAOYSA-N 0 0 377.282 2.608 10 0 GFAERN O=C(NC1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)C1)C1CCC1 ZINC000188550683 552447648 /nfs/dbraw/zinc/44/76/48/552447648.db2.gz OUBQYINYVXPFBS-CVEARBPZSA-N 0 0 377.282 2.680 10 0 GFAERN Cc1cc(CCC(=O)N2CC(NC(=O)C3CCC3)C2)ccc1Br ZINC000188555014 552448006 /nfs/dbraw/zinc/44/80/06/552448006.db2.gz LLZQLFNDAPUFJY-UHFFFAOYSA-N 0 0 379.298 2.817 10 0 GFAERN C[C@H](NC(=O)c1nc(Br)ccc1Br)[C@@H]1CCCO1 ZINC000188599857 552449695 /nfs/dbraw/zinc/44/96/95/552449695.db2.gz POMOJWAEDSZXMS-CBAPKCEASA-N 0 0 378.064 2.904 10 0 GFAERN CC(C)[C@@](C)(NC(=O)NC[C@H]1CN(C)CCO1)c1ccc(Br)cc1 ZINC000188634274 552450886 /nfs/dbraw/zinc/45/08/86/552450886.db2.gz VHXIOEQBSOLIBO-FUHWJXTLSA-N 0 0 398.345 2.950 10 0 GFAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190153936 552488841 /nfs/dbraw/zinc/48/88/41/552488841.db2.gz SPBQALSYCKPJEF-AWEZNQCLSA-N 0 0 377.242 2.865 10 0 GFAERN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@H]1CC[C@H](C)O1 ZINC000190167145 552489311 /nfs/dbraw/zinc/48/93/11/552489311.db2.gz MFYKXPYZURHICI-SWLSCSKDSA-N 0 0 384.270 2.908 10 0 GFAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cc(C)c1Br ZINC000190590444 552502132 /nfs/dbraw/zinc/50/21/32/552502132.db2.gz KUAFIBUYJQHFHP-OCCSQVGLSA-N 0 0 383.286 2.672 10 0 GFAERN CC(C)CC(=O)N[C@H](C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C(C)C ZINC000191422716 552528107 /nfs/dbraw/zinc/52/81/07/552528107.db2.gz RIEQKXKWNRPGTG-INIZCTEOSA-N 0 0 388.917 2.869 10 0 GFAERN CC(=O)NC1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC000191482008 552529814 /nfs/dbraw/zinc/52/98/14/552529814.db2.gz NZMGRKGWWBTVME-UHFFFAOYSA-N 0 0 390.237 2.597 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)CCO2)cn1 ZINC000191786274 552537786 /nfs/dbraw/zinc/53/77/86/552537786.db2.gz SXSORTBUHLFNGW-MRXNPFEDSA-N 0 0 396.260 2.947 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1cccc(Br)c1C)CC2 ZINC000191834968 552539406 /nfs/dbraw/zinc/53/94/06/552539406.db2.gz GYKCXNSKTMCNRQ-ZDUSSCGKSA-N 0 0 377.286 2.585 10 0 GFAERN Cn1nc(Br)cc1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000192140222 552553090 /nfs/dbraw/zinc/55/30/90/552553090.db2.gz SMAXTIPQGHKBNA-DZGCQCFKSA-N 0 0 378.270 2.911 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000193538340 552996223 /nfs/dbraw/zinc/99/62/23/552996223.db2.gz QUPOBSUOSWMXQN-GDBMZVCRSA-N 0 0 395.297 2.660 10 0 GFAERN COc1ccc(S(=O)(=O)N2CCO[C@H](c3nc(C)cs3)C2)c(C)c1F ZINC000193953240 553007628 /nfs/dbraw/zinc/00/76/28/553007628.db2.gz RPIOISONGPPHNW-ZDUSSCGKSA-N 0 0 386.470 2.670 10 0 GFAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000194077938 553011190 /nfs/dbraw/zinc/01/11/90/553011190.db2.gz KCBKGNOIBSHEPC-NSHDSACASA-N 0 0 395.282 2.993 10 0 GFAERN COc1ccc(Br)cc1C[S@@](=O)Cc1nnc(C2CC2)n1C ZINC000194283699 553016519 /nfs/dbraw/zinc/01/65/19/553016519.db2.gz QEGQABPDQLFHAO-JOCHJYFZSA-N 0 0 384.299 2.913 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)C1 ZINC000194434858 553020983 /nfs/dbraw/zinc/02/09/83/553020983.db2.gz FJRRQHMCPIKYMA-LRDDRELGSA-N 0 0 382.302 2.690 10 0 GFAERN CC(C)NS(=O)(=O)CCNC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000194461864 553021422 /nfs/dbraw/zinc/02/14/22/553021422.db2.gz IZUJLASJLPLPFE-JTQLQIEISA-N 0 0 382.313 2.681 10 0 GFAERN COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000195141407 553039392 /nfs/dbraw/zinc/03/93/92/553039392.db2.gz KPMPERDIAVUCEG-AWEZNQCLSA-N 0 0 380.853 2.579 10 0 GFAERN CC(C)n1nnnc1CS(=O)(=O)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000195428275 553048465 /nfs/dbraw/zinc/04/84/65/553048465.db2.gz AQHCUIIPBBZVJT-UHFFFAOYSA-N 0 0 381.845 2.677 10 0 GFAERN C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCCO1 ZINC000247508888 553123553 /nfs/dbraw/zinc/12/35/53/553123553.db2.gz PDEODPNJLZIBQZ-XEZPLFJOSA-N 0 0 382.302 2.895 10 0 GFAERN C[C@@H]1CN([C@H](CNS(=O)(=O)c2cccc(F)c2)c2cccs2)CCO1 ZINC000248326297 553128408 /nfs/dbraw/zinc/12/84/08/553128408.db2.gz BUNZSZJTIJHHMC-CZUORRHYSA-N 0 0 384.498 2.628 10 0 GFAERN NC(=O)N1CC[C@H](NC(=O)[C@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248610540 553132025 /nfs/dbraw/zinc/13/20/25/553132025.db2.gz QFHWZUYQSPWTGM-CORIIIEPSA-N 0 0 386.279 2.730 10 0 GFAERN C[C@@H]1CN(S(=O)(=O)CC[C@H]2CCCO2)c2cc(Br)ccc2O1 ZINC000248898515 553136799 /nfs/dbraw/zinc/13/67/99/553136799.db2.gz YJKQKQBANJNBJL-DGCLKSJQSA-N 0 0 390.299 2.935 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1cccc(Cl)c1 ZINC000253610916 553152205 /nfs/dbraw/zinc/15/22/05/553152205.db2.gz FBCNQFVUCNZOFR-VIFPVBQESA-N 0 0 379.825 2.734 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2sccc2Br)C1 ZINC000262778306 553175874 /nfs/dbraw/zinc/17/58/74/553175874.db2.gz IOSGDCUQJWKASB-UHFFFAOYSA-N 0 0 387.299 2.568 10 0 GFAERN CSc1ccccc1NC(=O)[C@@H](C)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263076557 553181999 /nfs/dbraw/zinc/18/19/99/553181999.db2.gz XCWYRTZWXDFDRN-GMTAPVOTSA-N 0 0 376.400 2.930 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(CCOc2cccc(Br)c2)CC1 ZINC000263569116 553189499 /nfs/dbraw/zinc/18/94/99/553189499.db2.gz HIEVXVBPWDFBEH-OAHLLOKOSA-N 0 0 385.302 2.699 10 0 GFAERN O=C([C@@H](CNc1ccc(Br)cn1)c1ccccc1)N1CCOCC1 ZINC000301362414 563401324 /nfs/dbraw/zinc/40/13/24/563401324.db2.gz MUDNYBGTESANFP-INIZCTEOSA-N 0 0 390.281 2.899 10 0 GFAERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(C(=O)Nc3nncs3)cn2)C1 ZINC000301520311 563405712 /nfs/dbraw/zinc/40/57/12/563405712.db2.gz DBBKTRJJWAXBNA-OCDDVZBJSA-N 0 0 379.511 2.677 10 0 GFAERN O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000328631684 563461747 /nfs/dbraw/zinc/46/17/47/563461747.db2.gz RHMAPXXLSZSAIS-SNVBAGLBSA-N 0 0 377.363 2.582 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000328636902 563462234 /nfs/dbraw/zinc/46/22/34/563462234.db2.gz VTZGYQQXSWNWEP-SNVBAGLBSA-N 0 0 390.328 2.556 10 0 GFAERN O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)s1 ZINC000586102288 565112356 /nfs/dbraw/zinc/11/23/56/565112356.db2.gz GQRQDUDGXOWPRG-UHFFFAOYSA-N 0 0 384.910 2.985 10 0 GFAERN CC(=O)Nc1ccc(C(=O)N2CC(=O)N3CCc4ccc(Cl)cc4[C@@H]3C2)cc1 ZINC000022646506 570348238 /nfs/dbraw/zinc/34/82/38/570348238.db2.gz JDCZTOASHIAJBF-IBGZPJMESA-N 0 0 397.862 2.880 10 0 GFAERN C[C@H](O)c1cc2n(n1)CCCN(Cc1cc(=O)n3c4c(cccc14)CCC3)C2 ZINC000220418996 570386359 /nfs/dbraw/zinc/38/63/59/570386359.db2.gz QJUPUIWZMBKHOP-HNNXBMFYSA-N 0 0 378.476 2.603 10 0 GFAERN Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)Nc1cccc(Cl)c1 ZINC000006725108 570490389 /nfs/dbraw/zinc/49/03/89/570490389.db2.gz UNUGIJKJAKMAJM-UHFFFAOYSA-N 0 0 383.835 2.718 10 0 GFAERN COCCN(Cc1ccc(F)cc1F)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036099685 570537941 /nfs/dbraw/zinc/53/79/41/570537941.db2.gz SBBKJYBGVAMWLA-QGZVFWFLSA-N 0 0 381.419 2.862 10 0 GFAERN CCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(F)cc2)CC1 ZINC000065075377 570796519 /nfs/dbraw/zinc/79/65/19/570796519.db2.gz KNAQYVNKUGHLJE-UHFFFAOYSA-N 0 0 396.470 2.797 10 0 GFAERN CC(C)c1ccc2c(c1)[C@@]1(C[C@H]1C(=O)N1CCC(N3CCNC3=O)CC1)CCO2 ZINC000583616722 570801284 /nfs/dbraw/zinc/80/12/84/570801284.db2.gz IGZSYVBOPYIHDH-CVDCTZTESA-N 0 0 397.519 2.866 10 0 GFAERN C[C@H]1Cc2ccccc2N1C(=O)c1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000108668459 570990962 /nfs/dbraw/zinc/99/09/62/570990962.db2.gz OXHYDENHFZATGP-AWEZNQCLSA-N 0 0 381.457 2.867 10 0 GFAERN C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000025736914 654552670 /nfs/dbraw/zinc/55/26/70/654552670.db2.gz DAKMZKUZRWHLQL-HZMBPMFUSA-N 0 0 379.309 2.985 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000041819016 654632449 /nfs/dbraw/zinc/63/24/49/654632449.db2.gz GTWVHBPJACVRCA-LBPRGKRZSA-N 0 0 380.297 2.718 10 0 GFAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000047472979 654695617 /nfs/dbraw/zinc/69/56/17/654695617.db2.gz UXTJFZVZXSDRQB-CYBMUJFWSA-N 0 0 381.885 2.623 10 0 GFAERN COc1ccc(C(=O)O[C@@H](C)[C@@H]2CCOC2)c(I)c1 ZINC000122016412 654728441 /nfs/dbraw/zinc/72/84/41/654728441.db2.gz LDBRUTYVMAQCRX-VHSXEESVSA-N 0 0 376.190 2.882 10 0 GFAERN Cc1nc(CC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)c(C)s1 ZINC000123691295 654760864 /nfs/dbraw/zinc/76/08/64/654760864.db2.gz OTBYOMQZGHYUJF-MRXNPFEDSA-N 0 0 379.551 2.896 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(Br)c(F)c1 ZINC000125943994 654805595 /nfs/dbraw/zinc/80/55/95/654805595.db2.gz XOOAQSGHUALRNR-CYBMUJFWSA-N 0 0 397.248 2.520 10 0 GFAERN Cc1c(Cl)cccc1S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000128408616 654845974 /nfs/dbraw/zinc/84/59/74/654845974.db2.gz FNNCHGUWFZKBCX-AWEZNQCLSA-N 0 0 380.901 2.728 10 0 GFAERN CS(=O)(=O)Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)o1 ZINC000128473926 654848052 /nfs/dbraw/zinc/84/80/52/654848052.db2.gz KKGCAQNXNMGRID-AWEZNQCLSA-N 0 0 375.368 2.728 10 0 GFAERN COCCN1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)C[C@H]1C ZINC000130615749 654890574 /nfs/dbraw/zinc/89/05/74/654890574.db2.gz YOJSPCMGQCEXGB-ZIAGYGMSSA-N 0 0 379.551 2.956 10 0 GFAERN COCCN1C[C@@H](C(=O)O[C@@H](C)c2ccc(Br)cc2F)CC1=O ZINC000131114824 654896415 /nfs/dbraw/zinc/89/64/15/654896415.db2.gz FHWBHFFCIAGKPT-QWRGUYRKSA-N 0 0 388.233 2.687 10 0 GFAERN COCCN1C[C@H](C(=O)O[C@H](C)c2ccc(Br)cc2F)CC1=O ZINC000131114585 654896533 /nfs/dbraw/zinc/89/65/33/654896533.db2.gz FHWBHFFCIAGKPT-GHMZBOCLSA-N 0 0 388.233 2.687 10 0 GFAERN Cc1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1S(C)(=O)=O ZINC000133193651 654956191 /nfs/dbraw/zinc/95/61/91/654956191.db2.gz XTTKKFZDBDFHBQ-HNNXBMFYSA-N 0 0 382.869 2.907 10 0 GFAERN O=c1ccnc2sc(Nc3cnn(-c4ncc(Cl)cc4Cl)c3)nn21 ZINC000133244234 654957822 /nfs/dbraw/zinc/95/78/22/654957822.db2.gz AQGHABPBFROLCV-UHFFFAOYSA-N 0 0 380.220 2.782 10 0 GFAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000069921977 654989278 /nfs/dbraw/zinc/98/92/78/654989278.db2.gz JFSLTSNDMTXLQP-MNOVXSKESA-N 0 0 377.304 2.585 10 0 GFAERN C[C@@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1ccc(OC(F)(F)F)cc1 ZINC000069922605 654989475 /nfs/dbraw/zinc/98/94/75/654989475.db2.gz OPILWIVLHCZTTP-WDEREUQCSA-N 0 0 382.404 2.721 10 0 GFAERN CCn1cnnc1C1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000134637444 654998672 /nfs/dbraw/zinc/99/86/72/654998672.db2.gz IUFRZTWIELVHRG-UHFFFAOYSA-N 0 0 393.285 2.846 10 0 GFAERN CCOCCN1CCN(C(=O)c2ccc(C)nc2Br)C[C@@H]1CC ZINC000152209790 655057388 /nfs/dbraw/zinc/05/73/88/655057388.db2.gz RYRWCMNFOUHVBC-AWEZNQCLSA-N 0 0 384.318 2.725 10 0 GFAERN CCC1CCC(NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000153577522 655068142 /nfs/dbraw/zinc/06/81/42/655068142.db2.gz BIHJNNCANLUGHS-UHFFFAOYSA-N 0 0 385.452 2.568 10 0 GFAERN C[C@H](NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H]1CCCO1 ZINC000105570243 655095080 /nfs/dbraw/zinc/09/50/80/655095080.db2.gz FRLUHPFKBWVTTC-GXFFZTMASA-N 0 0 394.273 2.601 10 0 GFAERN Cc1ncc(CN2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)s1 ZINC000106090851 655102309 /nfs/dbraw/zinc/10/23/09/655102309.db2.gz YTNPDFMIIRAYAN-LBPRGKRZSA-N 0 0 379.917 2.645 10 0 GFAERN COCCN1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000106110066 655102963 /nfs/dbraw/zinc/10/29/63/655102963.db2.gz OXNBWVLQIAWQRS-KBPBESRZSA-N 0 0 388.339 2.823 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1csc(I)c1 ZINC000107441089 655121077 /nfs/dbraw/zinc/12/10/77/655121077.db2.gz QNNUIYIVCGBEIV-VIFPVBQESA-N 0 0 379.219 2.520 10 0 GFAERN O=C(Cc1cccc(Br)c1)N1CCC(Nc2cccnn2)CC1 ZINC000109639385 655149502 /nfs/dbraw/zinc/14/95/02/655149502.db2.gz XXGFDFOLKXUPQJ-UHFFFAOYSA-N 0 0 375.270 2.885 10 0 GFAERN CN(c1cccnn1)C1CCN(C(=O)c2ccccc2Br)CC1 ZINC000109640008 655149561 /nfs/dbraw/zinc/14/95/61/655149561.db2.gz CCTUBPAHQAAVPJ-UHFFFAOYSA-N 0 0 375.270 2.980 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3ccc(Br)cn3)CC2)cs1 ZINC000109651071 655149851 /nfs/dbraw/zinc/14/98/51/655149851.db2.gz ACCAKQCLIZZPNL-UHFFFAOYSA-N 0 0 395.326 2.957 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)CSCc3ccccn3)CC2)cs1 ZINC000109650181 655149870 /nfs/dbraw/zinc/14/98/70/655149870.db2.gz UOANSIQWGMUAPH-UHFFFAOYSA-N 0 0 376.551 2.814 10 0 GFAERN CCn1cc(CN2CCCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)cn1 ZINC000109661776 655150172 /nfs/dbraw/zinc/15/01/72/655150172.db2.gz XGLHAFKHKAFMGY-UHFFFAOYSA-N 0 0 384.311 2.896 10 0 GFAERN O=Cc1ccc(OCC(=O)N[C@H]2COc3ccccc32)c(Br)c1 ZINC000172914076 655160563 /nfs/dbraw/zinc/16/05/63/655160563.db2.gz LSIGMSSZOSMQPW-AWEZNQCLSA-N 0 0 376.206 2.890 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3sccc3Br)CCO2)n1 ZINC000110900542 655161421 /nfs/dbraw/zinc/16/14/21/655161421.db2.gz QZVYDKPTOOCREB-LBPRGKRZSA-N 0 0 384.299 2.865 10 0 GFAERN S=c1oc(-c2ccc(Cl)cc2)nn1CN1CC[C@H](N2CCOCC2)C1 ZINC000172961601 655161465 /nfs/dbraw/zinc/16/14/65/655161465.db2.gz MADZYLIBYKGEIS-HNNXBMFYSA-N 0 0 380.901 2.890 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(Br)cc3)CCO2)n1 ZINC000110907101 655161653 /nfs/dbraw/zinc/16/16/53/655161653.db2.gz HHJGAEFETCFUDV-INIZCTEOSA-N 0 0 378.270 2.804 10 0 GFAERN CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1ccccc1Br ZINC000173053770 655162422 /nfs/dbraw/zinc/16/24/22/655162422.db2.gz QEFVPAOGZLTYGV-AWEZNQCLSA-N 0 0 399.285 2.701 10 0 GFAERN O=C(c1cc2c(cccc2Br)[nH]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111077393 655164016 /nfs/dbraw/zinc/16/40/16/655164016.db2.gz UYQUJGJLDUXENV-LBPRGKRZSA-N 0 0 389.253 2.668 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3C)CCO2)n1 ZINC000111344988 655169394 /nfs/dbraw/zinc/16/93/94/655169394.db2.gz HBVGBIUYCDHUPZ-INIZCTEOSA-N 0 0 383.901 2.551 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3ccc(Br)cc3O)CC2)s1 ZINC000111622782 655174407 /nfs/dbraw/zinc/17/44/07/655174407.db2.gz IWYJIBQNIKTQEK-UHFFFAOYSA-N 0 0 396.310 2.878 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(Br)cc3C)CCO2)[nH]1 ZINC000173558778 655175140 /nfs/dbraw/zinc/17/51/40/655175140.db2.gz NBDJHSSBCQJXMF-ZDUSSCGKSA-N 0 0 379.258 2.652 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3cc(Br)cn3C)CC2)s1 ZINC000111663529 655175669 /nfs/dbraw/zinc/17/56/69/655175669.db2.gz NBHKAHRSMQGGHF-UHFFFAOYSA-N 0 0 383.315 2.511 10 0 GFAERN O=C(CNC(=O)N1CCO[C@@H](c2nccs2)C1)Nc1ccc(Cl)cc1 ZINC000111837637 655178038 /nfs/dbraw/zinc/17/80/38/655178038.db2.gz NJNZXKIBOLIGMD-CYBMUJFWSA-N 0 0 380.857 2.518 10 0 GFAERN C[C@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000173766085 655180654 /nfs/dbraw/zinc/18/06/54/655180654.db2.gz IAUNLPRIIWBWIV-XJKSGUPXSA-N 0 0 382.302 2.626 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)n1 ZINC000112037068 655180999 /nfs/dbraw/zinc/18/09/99/655180999.db2.gz RZOJKXDGRGUNHZ-SNVBAGLBSA-N 0 0 384.267 2.853 10 0 GFAERN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000173793334 655181353 /nfs/dbraw/zinc/18/13/53/655181353.db2.gz XYFJPFMEUYMPGP-GDBMZVCRSA-N 0 0 381.929 2.993 10 0 GFAERN CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000174225383 655194053 /nfs/dbraw/zinc/19/40/53/655194053.db2.gz CKBGMCCADFAAIT-ZDUSSCGKSA-N 0 0 379.258 2.573 10 0 GFAERN O=C(CCSc1ccc(Br)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000112656965 655194430 /nfs/dbraw/zinc/19/44/30/655194430.db2.gz VSFIOZLKHFMPRC-GFCCVEGCSA-N 0 0 381.299 2.654 10 0 GFAERN O=C(Nc1ccccc1I)N1CCC[C@H](n2cncn2)C1 ZINC000174235418 655194489 /nfs/dbraw/zinc/19/44/89/655194489.db2.gz KPHDYNNBPPJZST-NSHDSACASA-N 0 0 397.220 2.752 10 0 GFAERN Cc1cc(Br)ccc1SCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112661502 655194618 /nfs/dbraw/zinc/19/46/18/655194618.db2.gz IBAUDGQRIBVOGJ-LBPRGKRZSA-N 0 0 381.299 2.572 10 0 GFAERN O=C(N[C@@H]1CCc2ncnn2C1)NC1(c2cccc(Br)c2)CCC1 ZINC000112748746 655197328 /nfs/dbraw/zinc/19/73/28/655197328.db2.gz AXHVHTSBZRDYDX-CQSZACIVSA-N 0 0 390.285 2.734 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cccnc2Cl)CC1 ZINC000112905492 655199194 /nfs/dbraw/zinc/19/91/94/655199194.db2.gz REUSFVAKTCFJMO-UHFFFAOYSA-N 0 0 382.295 2.642 10 0 GFAERN C[C@@H]1CN([C@@H](CNC(=O)N(C)Cc2nccs2)c2cccs2)CCO1 ZINC000175042573 655213272 /nfs/dbraw/zinc/21/32/72/655213272.db2.gz GBLUTAKEHPJDBI-KGLIPLIRSA-N 0 0 380.539 2.808 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc(Br)cc1)CC2 ZINC000114977063 655231204 /nfs/dbraw/zinc/23/12/04/655231204.db2.gz XSBICYSMWCWLDL-AWEZNQCLSA-N 0 0 392.301 2.759 10 0 GFAERN C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000176507131 655248323 /nfs/dbraw/zinc/24/83/23/655248323.db2.gz BIBKOQWRJKEKLS-PBHICJAKSA-N 0 0 381.314 2.561 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1c(F)cccc1Br ZINC000176742065 655254336 /nfs/dbraw/zinc/25/43/36/655254336.db2.gz IPCUUPWJIMHYAK-LLVKDONJSA-N 0 0 379.233 2.777 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3C)C2)n1 ZINC000116899617 655256159 /nfs/dbraw/zinc/25/61/59/655256159.db2.gz WBVPNFFQFWEGLX-HNNXBMFYSA-N 0 0 382.917 2.958 10 0 GFAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cc4cc(Cl)ccc4s3)CCO2)[nH]1 ZINC000176950295 655263516 /nfs/dbraw/zinc/26/35/16/655263516.db2.gz DHUCBAKLYTVYRO-LBPRGKRZSA-N 0 0 398.897 2.743 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000177006132 655264745 /nfs/dbraw/zinc/26/47/45/655264745.db2.gz IIYIYEOBYOIFAT-KGXGESDWSA-N 0 0 397.298 2.774 10 0 GFAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(Br)c3)C2)c1 ZINC000177674075 655285201 /nfs/dbraw/zinc/28/52/01/655285201.db2.gz LXOHXRJDCGGVAJ-OAHLLOKOSA-N 0 0 391.269 2.756 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000177687386 655286114 /nfs/dbraw/zinc/28/61/14/655286114.db2.gz GTGMWYAVMRCHAU-ZANVPECISA-N 0 0 397.248 2.907 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCC(C)(C)c1cccc(Br)c1)C(C)C ZINC000178409097 655302935 /nfs/dbraw/zinc/30/29/35/655302935.db2.gz DMTAHXAGPOFLQV-CQSZACIVSA-N 0 0 384.318 2.797 10 0 GFAERN Cc1cnn(C[C@@H]2CN(Cc3cc(Br)cc(C)c3O)CCO2)c1 ZINC000180129254 655322559 /nfs/dbraw/zinc/32/25/59/655322559.db2.gz BKCTXNDAGAALHW-INIZCTEOSA-N 0 0 380.286 2.869 10 0 GFAERN C[C@H](NC(=O)NC[C@H]1COC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000180308591 655325229 /nfs/dbraw/zinc/32/52/29/655325229.db2.gz JZGXGEAHPAMYGH-WFASDCNBSA-N 0 0 399.285 2.731 10 0 GFAERN CCN(C(=O)c1c[nH]c(C#N)c1)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000181675122 655339672 /nfs/dbraw/zinc/33/96/72/655339672.db2.gz AMFCCPRCYVMGBB-UHFFFAOYSA-N 0 0 396.266 2.808 10 0 GFAERN C=C[C@@H](C)OC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000187625567 655375723 /nfs/dbraw/zinc/37/57/23/655375723.db2.gz WTUSUKQDLCLKEG-CJNGLKHVSA-N 0 0 377.487 2.981 10 0 GFAERN Cn1cc([C@@H]2CCN(Cn3c(=O)oc4cc(F)c(Br)cc43)C2)cn1 ZINC000192159716 655403106 /nfs/dbraw/zinc/40/31/06/655403106.db2.gz QHJFYWMWYHQPSN-SNVBAGLBSA-N 0 0 395.232 2.677 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]1Cn1ccnc1 ZINC000194385523 655415463 /nfs/dbraw/zinc/41/54/63/655415463.db2.gz CXDXCYYSESJMPO-ZBFHGGJFSA-N 0 0 376.254 2.640 10 0 GFAERN COCCn1c(C(=O)NCc2cnn(C)c2C)cc2oc(Br)cc21 ZINC000223708992 655422479 /nfs/dbraw/zinc/42/24/79/655422479.db2.gz ZLEDBHSABIJOBH-UHFFFAOYSA-N 0 0 395.257 2.615 10 0 GFAERN COCCn1c(C(=O)NCc2cc(C)nn2C)cc2oc(Br)cc21 ZINC000223710260 655422491 /nfs/dbraw/zinc/42/24/91/655422491.db2.gz KLZCSIRIVLCIFA-UHFFFAOYSA-N 0 0 395.257 2.615 10 0 GFAERN C[C@H](OC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C(Cl)(Cl)Cl ZINC000245647657 655428145 /nfs/dbraw/zinc/42/81/45/655428145.db2.gz BVKLWEVVGNDMAR-PEXQALLHSA-N 0 0 382.675 2.632 10 0 GFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000246968636 655430896 /nfs/dbraw/zinc/43/08/96/655430896.db2.gz GOSXNFXPHYSTTD-WQAKAFBOSA-N 0 0 393.292 2.883 10 0 GFAERN CC(=O)N(CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2Br)CC1 ZINC000262964350 655448176 /nfs/dbraw/zinc/44/81/76/655448176.db2.gz QSQRNFDQZGAPBI-OAHLLOKOSA-N 0 0 383.286 2.737 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C)c(Br)cc2C)C1 ZINC000263376780 655451386 /nfs/dbraw/zinc/45/13/86/655451386.db2.gz AYMHQNHOTWKASM-UHFFFAOYSA-N 0 0 383.286 2.733 10 0 GFAERN Cc1ccnc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1Br ZINC000702859605 655521910 /nfs/dbraw/zinc/52/19/10/655521910.db2.gz PSWIAFJOPPTKMF-RYUDHWBXSA-N 0 0 386.290 2.792 10 0 GFAERN CCOC(=O)c1ncc(Br)c(N2CCC[C@H]2Cn2ccnc2C)n1 ZINC000892825145 663386147 /nfs/dbraw/zinc/38/61/47/663386147.db2.gz RYNRWMRKWCXDFA-LBPRGKRZSA-N 0 0 394.273 2.590 10 0 GFAERN Cc1cc(Br)ccc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000120507472 677396659 /nfs/dbraw/zinc/39/66/59/677396659.db2.gz NHHNFVRCBUFOCP-UHFFFAOYSA-N 0 0 387.285 2.517 10 0 GFAERN CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2cc(F)c(F)cc2cc1C3 ZINC000001489193 212248213 /nfs/dbraw/zinc/24/82/13/212248213.db2.gz LFQCJSBXBZRMTN-OAQYLSRUSA-N 0 0 398.365 2.748 10 0 in-man GFAERN C[C@H]1Cc2cc(-c3csc(NC(=O)C4CC4)n3)ccc2N1S(C)(=O)=O ZINC000001365879 212144336 /nfs/dbraw/zinc/14/43/36/212144336.db2.gz PAOFRJWNUFASEF-JTQLQIEISA-N 0 0 377.491 2.869 10 0 GFAERN C[C@@H](O)CCC[C@@H](C(=O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000255995835 212138596 /nfs/dbraw/zinc/13/85/96/212138596.db2.gz PYEXHWGXGAGHAH-BEFAXECRSA-N 0 0 381.428 2.946 10 0 GFAERN Cc1cccc(C)c1OCCN(Cc1cn2c(n1)CCCC2)S(C)(=O)=O ZINC000328638848 212089395 /nfs/dbraw/zinc/08/93/95/212089395.db2.gz WPLORWABRZYVBD-UHFFFAOYSA-N 0 0 377.510 2.677 10 0 GFAERN Cc1ccc(C)c(OCCN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)c1 ZINC000328618266 212085204 /nfs/dbraw/zinc/08/52/04/212085204.db2.gz DNBOSVPGKXUJEU-UHFFFAOYSA-N 0 0 377.510 2.677 10 0 GFAERN COCCNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc(Cl)c1 ZINC000006835253 220969533 /nfs/dbraw/zinc/96/95/33/220969533.db2.gz FOBLUBUEGOVBAE-WSGJVKOYSA-N 0 0 394.899 2.850 10 0 GFAERN Cc1ccc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccccn4)CC3)O2)cc1 ZINC000011787981 221126159 /nfs/dbraw/zinc/12/61/59/221126159.db2.gz WVLOKUSTEWCJBC-IBGZPJMESA-N 0 0 393.487 2.974 10 0 GFAERN Cc1nc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)sc1C ZINC000012026455 221143488 /nfs/dbraw/zinc/14/34/88/221143488.db2.gz JLIREDRWWDFKFH-UHFFFAOYSA-N 0 0 393.490 2.715 10 0 GFAERN CCn1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(=O)c2ccc(C)nc21 ZINC000012785095 221231869 /nfs/dbraw/zinc/23/18/69/221231869.db2.gz SEAAGGRNQSDCDW-GFCCVEGCSA-N 0 0 392.415 2.697 10 0 GFAERN COc1ccc(C)cc1NC(=O)c1c(C)oc2ncnc(N3CCOCC3)c21 ZINC000015727678 221340968 /nfs/dbraw/zinc/34/09/68/221340968.db2.gz JQFMGTZBDDTCLW-UHFFFAOYSA-N 0 0 382.420 2.937 10 0 GFAERN CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000224146236 136206294 /nfs/dbraw/zinc/20/62/94/136206294.db2.gz CSLGAYKGGWKLOJ-UHFFFAOYSA-N 0 0 398.467 2.948 10 0 GFAERN Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccnc(N2CCOCC2)n1 ZINC000224218194 136206569 /nfs/dbraw/zinc/20/65/69/136206569.db2.gz NTHCWQQKVHXUGH-UHFFFAOYSA-N 0 0 395.488 2.675 10 0 GFAERN CCCCC(=O)Nc1ccc(C(=O)N2CCC[C@H]2C(=O)NCCCOC)cc1 ZINC000021712309 221539020 /nfs/dbraw/zinc/53/90/20/221539020.db2.gz QBBMQJYNTUJIQF-SFHVURJKSA-N 0 0 389.496 2.573 10 0 GFAERN COc1ccc2c(CC(=O)N3CCC[C@@H]3C(=O)OC(C)(C)C)cc(=O)oc2c1 ZINC000022062255 221551644 /nfs/dbraw/zinc/55/16/44/221551644.db2.gz YHXXQXSTSPQMGW-MRXNPFEDSA-N 0 0 387.432 2.677 10 0 in-vitro GFAERN COc1ccccc1OC[C@H](O)CN1CCN(c2ccccc2Cl)CC1 ZINC000031614088 221711230 /nfs/dbraw/zinc/71/12/30/221711230.db2.gz XGTZJVRPCCABGR-MRXNPFEDSA-N 0 0 376.884 2.911 10 0 GFAERN O=C1/C(=C\NC[C@H](O)CO)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000038174962 221878723 /nfs/dbraw/zinc/87/87/23/221878723.db2.gz VOIONHKFHXSKPD-KWJWQAOWSA-N 0 0 379.243 2.955 10 0 GFAERN COC(=O)c1ccccc1N(CC(=O)c1ccc(C)cc1C)S(C)(=O)=O ZINC000057486376 222033400 /nfs/dbraw/zinc/03/34/00/222033400.db2.gz YABRSUKQJLORNS-UHFFFAOYSA-N 0 0 375.446 2.739 10 0 GFAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)N1CCCCCCC1 ZINC000055133559 222016815 /nfs/dbraw/zinc/01/68/15/222016815.db2.gz GYIFPMTXALIACC-SFHVURJKSA-N 0 0 395.906 2.962 10 0 GFAERN CCn1c(CCNC(=O)c2cccc(N(C)C)c2)nc2c(C)cccc2c1=O ZINC000064611134 222076004 /nfs/dbraw/zinc/07/60/04/222076004.db2.gz WBWOQVISVWYYSL-UHFFFAOYSA-N 0 0 378.476 2.763 10 0 GFAERN CC(C)(C)OC(=O)N1CCN(C(=O)CCc2ccnc(N3CCCC3)c2)CC1 ZINC000065269624 222119078 /nfs/dbraw/zinc/11/90/78/222119078.db2.gz KVLBJHPTIJFTCI-UHFFFAOYSA-N 0 0 388.512 2.694 10 0 GFAERN CC(=O)Nc1nsc(N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)n1 ZINC000065307713 222121695 /nfs/dbraw/zinc/12/16/95/222121695.db2.gz ZAPRXUDNEMTDPZ-ZDUSSCGKSA-N 0 0 393.900 2.683 10 0 GFAERN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)c1C ZINC000085620675 222325094 /nfs/dbraw/zinc/32/50/94/222325094.db2.gz AQHMLSMBDAKICI-OAHLLOKOSA-N 0 0 389.496 2.719 10 0 GFAERN COc1ccc(CS(=O)(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000095076382 222329267 /nfs/dbraw/zinc/32/92/67/222329267.db2.gz MGRMGTXAZBRWTN-MRXNPFEDSA-N 0 0 398.525 2.762 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@@H](CS(=O)(=O)c2ccnc(Cl)n2)C1 ZINC000095085505 222330450 /nfs/dbraw/zinc/33/04/50/222330450.db2.gz MSNXCKMZNVCTDU-LLVKDONJSA-N 0 0 375.878 2.551 10 0 GFAERN CCOC(=O)c1[nH]c2ccccc2c1NC(=S)N1CCC2(CC1)OCCO2 ZINC000085345046 521371347 /nfs/dbraw/zinc/37/13/47/521371347.db2.gz PYEUSUNFADPNDY-UHFFFAOYSA-N 0 0 389.477 2.880 10 0 GFAERN O=C([O-])C1CC[NH+](Cc2nnn(-c3cccc(F)c3)c2-c2ccncc2)CC1 ZINC000057345120 527565261 /nfs/dbraw/zinc/56/52/61/527565261.db2.gz UHXSKXLSHZJBEW-UHFFFAOYSA-N 0 0 381.411 2.765 10 0 GFAERN COc1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000010785003 551105783 /nfs/dbraw/zinc/10/57/83/551105783.db2.gz SZAYNLASMWMLTM-CQSZACIVSA-N 0 0 380.491 2.939 10 0 GFAERN C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1Br ZINC000017965099 551113341 /nfs/dbraw/zinc/11/33/41/551113341.db2.gz PGNWMGSHNZGHPC-CYBMUJFWSA-N 0 0 375.266 2.985 10 0 GFAERN COC(=O)C[C@H](NC(=O)NC[C@H]1CCCO1)c1cccc(Br)c1 ZINC000054540465 551169204 /nfs/dbraw/zinc/16/92/04/551169204.db2.gz JKJPHFMDALZNSP-KGLIPLIRSA-N 0 0 385.258 2.532 10 0 GFAERN COc1ccc(Br)cc1CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116426022 551213524 /nfs/dbraw/zinc/21/35/24/551213524.db2.gz WDCBAQQAIJIVER-GFCCVEGCSA-N 0 0 393.285 2.890 10 0 GFAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000119604079 551217625 /nfs/dbraw/zinc/21/76/25/551217625.db2.gz GASDDSKKJNHEBI-UHFFFAOYSA-N 0 0 391.269 2.523 10 0 GFAERN CCOc1cc(CN2CC[C@H](N3CCOCC3)C2)cc(Br)c1OC ZINC000121028720 551225759 /nfs/dbraw/zinc/22/57/59/551225759.db2.gz PNCUTFONYSSOLP-HNNXBMFYSA-N 0 0 399.329 2.763 10 0 GFAERN Cc1cnn(CCNC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)c1 ZINC000121450187 551234944 /nfs/dbraw/zinc/23/49/44/551234944.db2.gz CZEDAHDUCGWAJT-CYBMUJFWSA-N 0 0 378.270 2.979 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(Br)c(F)c1 ZINC000121469556 551235388 /nfs/dbraw/zinc/23/53/88/551235388.db2.gz FUYDHGXQMIQKLE-ZDUSSCGKSA-N 0 0 381.249 2.936 10 0 GFAERN CC(C)c1n[nH]c(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1Br ZINC000123069878 551302399 /nfs/dbraw/zinc/30/23/99/551302399.db2.gz OFTNBICAKYALKI-LBPRGKRZSA-N 0 0 379.258 2.984 10 0 GFAERN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1Cl ZINC000124230291 551312417 /nfs/dbraw/zinc/31/24/17/551312417.db2.gz KVMRRIDZPGWDPX-GFCCVEGCSA-N 0 0 384.860 2.977 10 0 GFAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000126281310 551327704 /nfs/dbraw/zinc/32/77/04/551327704.db2.gz VFTIXJNKJCIBAH-CQSZACIVSA-N 0 0 398.301 2.697 10 0 GFAERN C[C@H](NC(=O)N(CCS(C)(=O)=O)C1CC1)c1ccccc1Br ZINC000126739235 551332175 /nfs/dbraw/zinc/33/21/75/551332175.db2.gz XEHCTPQTEGSTHC-NSHDSACASA-N 0 0 389.315 2.729 10 0 GFAERN COc1cc(CN2C[C@@H](C)O[C@H](C)C2)cc(I)c1OC ZINC000126979415 551335248 /nfs/dbraw/zinc/33/52/48/551335248.db2.gz DSRKSCNPJMMBNQ-GHMZBOCLSA-N 0 0 391.249 2.918 10 0 GFAERN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000129393397 551357000 /nfs/dbraw/zinc/35/70/00/551357000.db2.gz UKLWYSKGTURIGD-OLZOCXBDSA-N 0 0 387.293 2.604 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1 ZINC000129683367 551358886 /nfs/dbraw/zinc/35/88/86/551358886.db2.gz UYOGTFGYMFEWQN-CYBMUJFWSA-N 0 0 379.873 2.991 10 0 GFAERN OC[C@H]1CCCN(c2cc(NCCc3ccc(Br)o3)ncn2)C1 ZINC000132124341 551377042 /nfs/dbraw/zinc/37/70/42/551377042.db2.gz RHAAWBUKBQLXKV-LBPRGKRZSA-N 0 0 381.274 2.695 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c(Br)c1 ZINC000132773758 551379081 /nfs/dbraw/zinc/37/90/81/551379081.db2.gz ASWJMOZFZHUHKT-CQSZACIVSA-N 0 0 397.294 2.995 10 0 GFAERN COc1cc(Br)ccc1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135319384 551387154 /nfs/dbraw/zinc/38/71/54/551387154.db2.gz BDKYJDMBCJONFX-JTQLQIEISA-N 0 0 379.258 2.877 10 0 GFAERN CCCCOCCN(C(=O)[C@H]1CNC(=O)C1)c1ccc(Br)cc1 ZINC000135648427 551388191 /nfs/dbraw/zinc/38/81/91/551388191.db2.gz NVVKJRWCKRKANN-CYBMUJFWSA-N 0 0 383.286 2.735 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(F)cc1I ZINC000151021751 551405722 /nfs/dbraw/zinc/40/57/22/551405722.db2.gz GRJGTUVSXWFYBQ-NOZJJQNGSA-N 0 0 377.197 2.711 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(OC)ccc1Br ZINC000151116106 551407614 /nfs/dbraw/zinc/40/76/14/551407614.db2.gz KGCJWZDRTKBHRW-CYBMUJFWSA-N 0 0 379.258 2.877 10 0 GFAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)CC2 ZINC000151244951 551410161 /nfs/dbraw/zinc/41/01/61/551410161.db2.gz MHTPPOAKYGIUPH-CYBMUJFWSA-N 0 0 389.308 2.582 10 0 GFAERN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000151376458 551412354 /nfs/dbraw/zinc/41/23/54/551412354.db2.gz DVNVIJWZPFYRPR-QMTHXVAHSA-N 0 0 396.264 2.945 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000151725188 551419843 /nfs/dbraw/zinc/41/98/43/551419843.db2.gz RBBMGVVQDWYOKO-CYBMUJFWSA-N 0 0 375.281 2.848 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc(C)nc3Br)C2)n1 ZINC000152214476 551428494 /nfs/dbraw/zinc/42/84/94/551428494.db2.gz JEBIVZHYQFPKDP-CQSZACIVSA-N 0 0 392.301 2.913 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000152370662 551431974 /nfs/dbraw/zinc/43/19/74/551431974.db2.gz DZYZDPUEADAPBR-CYBMUJFWSA-N 0 0 387.293 2.700 10 0 GFAERN Cn1cc([C@]2(C)CN(c3ncnc4ccc(Br)cc43)CCO2)cn1 ZINC000153289458 551450137 /nfs/dbraw/zinc/45/01/37/551450137.db2.gz RCMXTHVKIJRURU-KRWDZBQOSA-N 0 0 388.269 2.878 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(C)ccc3Br)CCO2)c1 ZINC000154402618 551474348 /nfs/dbraw/zinc/47/43/48/551474348.db2.gz RZQAVMICOSHRHW-CQSZACIVSA-N 0 0 378.270 2.804 10 0 GFAERN CC(C)(C)c1csc([C@H]2CN(CCCNC(=O)C(F)(F)F)CCO2)n1 ZINC000154791218 551482924 /nfs/dbraw/zinc/48/29/24/551482924.db2.gz JMRTXMFNHFOATI-LLVKDONJSA-N 0 0 379.448 2.883 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)Cc2cccc(I)c2)cn1 ZINC000154848152 551484097 /nfs/dbraw/zinc/48/40/97/551484097.db2.gz GSVGWWPBGWCHCT-HNNXBMFYSA-N 0 0 395.244 2.931 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000154850649 551484170 /nfs/dbraw/zinc/48/41/70/551484170.db2.gz MLGSOGSHHBCVJK-MRXNPFEDSA-N 0 0 384.929 2.692 10 0 GFAERN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCC[C@@H](n2cncn2)C1 ZINC000155129905 551492281 /nfs/dbraw/zinc/49/22/81/551492281.db2.gz VAEUDJYVFBYDGK-LLVKDONJSA-N 0 0 394.806 2.976 10 0 GFAERN Cc1cccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1Br ZINC000155621750 551503878 /nfs/dbraw/zinc/50/38/78/551503878.db2.gz GDEGQLCRKVLZCM-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1cccc(Br)c1 ZINC000155633863 551504673 /nfs/dbraw/zinc/50/46/73/551504673.db2.gz XQKWGAZEXLPBLC-GXFFZTMASA-N 0 0 391.331 2.590 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(Br)c(Cl)c1 ZINC000155739542 551506924 /nfs/dbraw/zinc/50/69/24/551506924.db2.gz ONTQVMLTEDFJAT-NSHDSACASA-N 0 0 391.678 2.507 10 0 GFAERN CN(C)C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccccc1 ZINC000155909149 551510126 /nfs/dbraw/zinc/51/01/26/551510126.db2.gz PVHUDPGRRSCLGD-AWEZNQCLSA-N 0 0 378.885 2.798 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)c3c(F)cccc3I)C2)cn1 ZINC000156154528 551515728 /nfs/dbraw/zinc/51/57/28/551515728.db2.gz URMOBNLJJLQTLH-SNVBAGLBSA-N 0 0 399.207 2.794 10 0 GFAERN CO[C@@]1(C)C[C@@H](N(C)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1(C)C ZINC000156165472 551516124 /nfs/dbraw/zinc/51/61/24/551516124.db2.gz AJHPUCNBDUBRGC-WBMJQRKESA-N 0 0 386.290 2.815 10 0 GFAERN CCn1ccnc1CS(=O)(=O)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000156263361 551518710 /nfs/dbraw/zinc/51/87/10/551518710.db2.gz ZEDSMYZGNCUORM-MRXNPFEDSA-N 0 0 383.539 2.783 10 0 GFAERN Cc1cccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)c1Br ZINC000156437606 551523110 /nfs/dbraw/zinc/52/31/10/551523110.db2.gz JQOTZYMHZMWBGX-ZDUSSCGKSA-N 0 0 384.299 2.807 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(C)c1Br ZINC000156596781 551525528 /nfs/dbraw/zinc/52/55/28/551525528.db2.gz CMWUYZMOBAEDSE-NSHDSACASA-N 0 0 399.314 2.725 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000158318514 551550205 /nfs/dbraw/zinc/55/02/05/551550205.db2.gz CRWBQDHEEJDQRX-MEBBXXQBSA-N 0 0 394.244 2.851 10 0 GFAERN Cc1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(Br)c1 ZINC000162136217 551603769 /nfs/dbraw/zinc/60/37/69/551603769.db2.gz VBEWVHPMGIGSCS-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@H]1CCCO1 ZINC000164261420 551624790 /nfs/dbraw/zinc/62/47/90/551624790.db2.gz LDFIJSJRZZIFRZ-JOYOIKCWSA-N 0 0 376.400 2.805 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000171053955 551645239 /nfs/dbraw/zinc/64/52/39/551645239.db2.gz LPILLZDECURARZ-BLLLJJGKSA-N 0 0 376.503 2.633 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Br)cc2F)cn1 ZINC000171396375 551654552 /nfs/dbraw/zinc/65/45/52/551654552.db2.gz AKWFVCZUEOKPGV-AWEZNQCLSA-N 0 0 395.232 2.624 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCS[C@@H](C)C1 ZINC000171413400 551655029 /nfs/dbraw/zinc/65/50/29/551655029.db2.gz RXWKDOKWNNBSPX-NSHDSACASA-N 0 0 386.315 2.843 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2Cl)C1 ZINC000171462536 551656138 /nfs/dbraw/zinc/65/61/38/551656138.db2.gz MLSAPXFXAVKFTB-SNVBAGLBSA-N 0 0 390.661 2.893 10 0 GFAERN COc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc(OC)c1Br ZINC000171663666 551660319 /nfs/dbraw/zinc/66/03/19/551660319.db2.gz DTEZHKNHUOOCRJ-GFCCVEGCSA-N 0 0 395.257 2.535 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)c3cc4c(c(Br)c3)OCO4)C2)cn1 ZINC000172258920 551674168 /nfs/dbraw/zinc/67/41/68/551674168.db2.gz QGDQLQFRMFYXDX-JTQLQIEISA-N 0 0 378.226 2.541 10 0 GFAERN O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000172849309 551688113 /nfs/dbraw/zinc/68/81/13/551688113.db2.gz HSTHBDDDMWBICL-CABCVRRESA-N 0 0 378.485 2.583 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)COc3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173094084 551695877 /nfs/dbraw/zinc/69/58/77/551695877.db2.gz MOYZQAWGRWNPPG-ZDUSSCGKSA-N 0 0 385.251 2.653 10 0 GFAERN C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@@H]1N1CCOCC1 ZINC000173395691 552085152 /nfs/dbraw/zinc/08/51/52/552085152.db2.gz BNXPOUUEOBDTPP-SJCJKPOMSA-N 0 0 392.297 2.723 10 0 GFAERN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000173836039 552093934 /nfs/dbraw/zinc/09/39/34/552093934.db2.gz QUOXJAMXZGJSFJ-GFCCVEGCSA-N 0 0 375.372 2.635 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000174906289 552112415 /nfs/dbraw/zinc/11/24/15/552112415.db2.gz UKPVJHIXSINILM-ZIAGYGMSSA-N 0 0 387.571 2.979 10 0 GFAERN CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)c1cccc(F)c1 ZINC000175211460 552117248 /nfs/dbraw/zinc/11/72/48/552117248.db2.gz VNKINYXUMABTEM-MRXNPFEDSA-N 0 0 384.498 2.581 10 0 GFAERN Cc1ccc([C@H](CNS(=O)(=O)Cc2ccccc2)N2CCOCC2)s1 ZINC000175218465 552117767 /nfs/dbraw/zinc/11/77/67/552117767.db2.gz OSBVIVVEPJIUAB-KRWDZBQOSA-N 0 0 380.535 2.549 10 0 GFAERN CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)s1 ZINC000175378089 552120521 /nfs/dbraw/zinc/12/05/21/552120521.db2.gz RPTBXLWZWDNEFT-CQSZACIVSA-N 0 0 399.563 2.799 10 0 GFAERN COC(=O)CC1(CS(=O)(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000175736549 552128079 /nfs/dbraw/zinc/12/80/79/552128079.db2.gz BXOVHXXVTRMFFS-LLVKDONJSA-N 0 0 390.299 2.773 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCCCc1ccc(Br)cc1F)C(C)C ZINC000178428010 552170402 /nfs/dbraw/zinc/17/04/02/552170402.db2.gz NTSCXNMZFYWTRE-CQSZACIVSA-N 0 0 388.281 2.591 10 0 GFAERN CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2CO)nnc1-c1cccs1 ZINC000179226329 552187875 /nfs/dbraw/zinc/18/78/75/552187875.db2.gz JIHJFXIRQMTSBV-STQMWFEESA-N 0 0 380.539 2.786 10 0 GFAERN C[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000179253397 552188592 /nfs/dbraw/zinc/18/85/92/552188592.db2.gz WSECNMAZXNRZGG-FZMZJTMJSA-N 0 0 380.491 2.889 10 0 GFAERN CC(=O)N1CCC(NC(=O)CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000179542982 552196117 /nfs/dbraw/zinc/19/61/17/552196117.db2.gz KLPSMUWRVHSWTR-JTQLQIEISA-N 0 0 390.286 2.910 10 0 GFAERN Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)nn1-c1ccc(Cl)cc1Cl ZINC000180465692 552227054 /nfs/dbraw/zinc/22/70/54/552227054.db2.gz CZUAXANWQGZSJW-ZDUSSCGKSA-N 0 0 383.279 2.548 10 0 GFAERN CC[C@H](CSC)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000180579729 552230055 /nfs/dbraw/zinc/23/00/55/552230055.db2.gz ASVZXLGRFBPEEX-WBMJQRKESA-N 0 0 377.535 2.941 10 0 GFAERN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180971457 552241859 /nfs/dbraw/zinc/24/18/59/552241859.db2.gz GLEKMSBLBYIHJN-ZDUSSCGKSA-N 0 0 389.308 2.827 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000181627329 552262984 /nfs/dbraw/zinc/26/29/84/552262984.db2.gz SRWTYGPUXXDOFI-CXAGYDPISA-N 0 0 396.329 2.535 10 0 GFAERN CCc1nnc([C@H]2CN(Cc3ccc(Br)cc3OC)CCO2)[nH]1 ZINC000182029424 552273242 /nfs/dbraw/zinc/27/32/42/552273242.db2.gz XAOAHZMOYLFZES-CQSZACIVSA-N 0 0 381.274 2.712 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCS[C@H](C)C2)nn1-c1cccc(Cl)c1 ZINC000183129031 552301099 /nfs/dbraw/zinc/30/10/99/552301099.db2.gz QVRJJWNMURUABU-GFCCVEGCSA-N 0 0 378.885 2.737 10 0 GFAERN COc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)nc1Br ZINC000183175793 552301952 /nfs/dbraw/zinc/30/19/52/552301952.db2.gz ZEVGRJZBIMJYIF-UHFFFAOYSA-N 0 0 379.258 2.602 10 0 GFAERN Cc1cnn(CCNC(=O)N2CCc3c(Br)ccc(F)c3C2)c1 ZINC000183546409 552312525 /nfs/dbraw/zinc/31/25/25/552312525.db2.gz NWACRQFPDDQVDQ-UHFFFAOYSA-N 0 0 381.249 2.861 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(Br)cn2C(C)C)n1 ZINC000183768064 552319325 /nfs/dbraw/zinc/31/93/25/552319325.db2.gz SCZHAXBKFQMSPX-ZDUSSCGKSA-N 0 0 383.246 2.737 10 0 GFAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000184155830 552328432 /nfs/dbraw/zinc/32/84/32/552328432.db2.gz VAVCASDYTBEUGO-JSGCOSHPSA-N 0 0 376.507 2.970 10 0 GFAERN O=S(=O)(C1=Cc2ccccc2OCC1)N1CCO[C@H](c2nccs2)C1 ZINC000184561790 552338787 /nfs/dbraw/zinc/33/87/87/552338787.db2.gz KWDRXOGIJSCXBF-INIZCTEOSA-N 0 0 378.475 2.670 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000184713179 552342924 /nfs/dbraw/zinc/34/29/24/552342924.db2.gz LVMHHQIQNPXFJJ-ZIAGYGMSSA-N 0 0 384.318 2.608 10 0 GFAERN CCCCSc1ccc(Cl)cc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000185014559 552351402 /nfs/dbraw/zinc/35/14/02/552351402.db2.gz JLUBGELIVHXRRZ-HNNXBMFYSA-N 0 0 386.945 2.655 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2Cl)C12CCOCC2 ZINC000185144651 552355519 /nfs/dbraw/zinc/35/55/19/552355519.db2.gz ZOAXIKLPNIVUHY-ZIAGYGMSSA-N 0 0 377.865 2.732 10 0 GFAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000185154624 552355980 /nfs/dbraw/zinc/35/59/80/552355980.db2.gz HGLGNUIKFCLBFC-QWHCGFSZSA-N 0 0 386.901 2.594 10 0 GFAERN Cc1ccc(CCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000185557017 552365643 /nfs/dbraw/zinc/36/56/43/552365643.db2.gz HGHXYFOXKVQGTO-CRAIPNDOSA-N 0 0 395.341 2.869 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000186516400 552389788 /nfs/dbraw/zinc/38/97/88/552389788.db2.gz WVNGOYGHWSWKJS-LLVKDONJSA-N 0 0 379.258 2.524 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)CCc2ccc(C)cc2Br)n1 ZINC000186618868 552392542 /nfs/dbraw/zinc/39/25/42/552392542.db2.gz QVFISOZJLDSXSK-OAHLLOKOSA-N 0 0 394.269 2.982 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000186628573 552392780 /nfs/dbraw/zinc/39/27/80/552392780.db2.gz XYUWOLXJUWQNDP-UHFFFAOYSA-N 0 0 389.279 2.770 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000186654889 552393552 /nfs/dbraw/zinc/39/35/52/552393552.db2.gz NHXXFVWKBLUHBW-CQSZACIVSA-N 0 0 389.279 2.770 10 0 GFAERN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189429615 552471288 /nfs/dbraw/zinc/47/12/88/552471288.db2.gz ZZGLGDLWRMLPRR-JTQLQIEISA-N 0 0 383.311 2.667 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000189495813 552473221 /nfs/dbraw/zinc/47/32/21/552473221.db2.gz RYVNABAOAGLWMN-OAHLLOKOSA-N 0 0 390.285 2.952 10 0 GFAERN O=S(=O)(CCc1cccs1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000189637833 552476460 /nfs/dbraw/zinc/47/64/60/552476460.db2.gz HIFCUGPPPGJDSL-UHFFFAOYSA-N 0 0 377.491 2.584 10 0 GFAERN O=C(Nc1ccc(Br)c(Cl)c1Cl)C(=O)N1CCC[C@H]1CO ZINC000189924485 552483336 /nfs/dbraw/zinc/48/33/36/552483336.db2.gz MTZPRPGJPHCKHR-ZETCQYMHSA-N 0 0 396.068 2.678 10 0 GFAERN Cc1cccc(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1Br ZINC000190471670 552497604 /nfs/dbraw/zinc/49/76/04/552497604.db2.gz PQLXXIQOWOQMLS-GDBMZVCRSA-N 0 0 396.329 2.620 10 0 GFAERN C[C@@H](NC(=O)CCOCC(F)(F)C(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000191448339 552528694 /nfs/dbraw/zinc/52/86/94/552528694.db2.gz ZCTCHDWDOWPCLU-SNVBAGLBSA-N 0 0 385.379 2.574 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)Cc3ccc(I)cc3)C2)cn1 ZINC000192047877 552547268 /nfs/dbraw/zinc/54/72/68/552547268.db2.gz XZWZEJWBGBOALK-ZDUSSCGKSA-N 0 0 395.244 2.583 10 0 GFAERN O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000192075175 552549817 /nfs/dbraw/zinc/54/98/17/552549817.db2.gz PGJWQOFWESLKHS-MWLCHTKSSA-N 0 0 389.677 2.708 10 0 GFAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000192077603 552549869 /nfs/dbraw/zinc/54/98/69/552549869.db2.gz XUOSMGFAWNTDLZ-NSHDSACASA-N 0 0 386.279 2.637 10 0 GFAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1c(F)cc(F)cc1Br ZINC000192288966 552558551 /nfs/dbraw/zinc/55/85/51/552558551.db2.gz UCFMAWKWMLNWGP-LLVKDONJSA-N 0 0 376.201 2.812 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Nc3cccnc3Br)CCO2)cn1 ZINC000192342993 552560404 /nfs/dbraw/zinc/56/04/04/552560404.db2.gz PUUIMBXTTRMKHC-ZDUSSCGKSA-N 0 0 380.246 2.666 10 0 GFAERN C[C@@H](NC(=O)Nc1nc2c(s1)CCCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000192610751 552568060 /nfs/dbraw/zinc/56/80/60/552568060.db2.gz GOSIODLBYWXUKR-SNVBAGLBSA-N 0 0 380.495 2.552 10 0 GFAERN C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(Cl)s1 ZINC000192739551 552972781 /nfs/dbraw/zinc/97/27/81/552972781.db2.gz IWUULEUPSSUZLT-SSDOTTSWSA-N 0 0 379.916 2.671 10 0 GFAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)ncc1Br ZINC000192821945 552975306 /nfs/dbraw/zinc/97/53/06/552975306.db2.gz VMGZEZTXQYBHDO-CYBMUJFWSA-N 0 0 390.237 2.731 10 0 GFAERN COC(=O)c1cncc(S(=O)(=O)N[C@@H](C)c2cccc(Br)c2)c1 ZINC000193778132 553002811 /nfs/dbraw/zinc/00/28/11/553002811.db2.gz PSZAJRFPWIKOFU-JTQLQIEISA-N 0 0 399.266 2.670 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3cccc4ncccc43)CCO2)n1 ZINC000193951667 553007585 /nfs/dbraw/zinc/00/75/85/553007585.db2.gz TUMORSJHZZRBRW-HNNXBMFYSA-N 0 0 375.475 2.762 10 0 GFAERN CCc1nnc(C[S@](=O)Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)n1C ZINC000194309606 553016931 /nfs/dbraw/zinc/01/69/31/553016931.db2.gz RYJMQPMFJIYOOR-RUZDIDTESA-N 0 0 399.307 2.714 10 0 GFAERN Cc1nn(C)c(C)c1CN1CCN(c2ncc(C)cc2Br)CC1 ZINC000194317410 553017650 /nfs/dbraw/zinc/01/76/50/553017650.db2.gz ULXXDTDUSUYGRS-UHFFFAOYSA-N 0 0 378.318 2.825 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194383886 553019404 /nfs/dbraw/zinc/01/94/04/553019404.db2.gz AEFCUUGSOYXAEC-RDJZCZTQSA-N 0 0 390.281 2.949 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000194468858 553021461 /nfs/dbraw/zinc/02/14/61/553021461.db2.gz UOHQAQUSEDSABY-RPVQJOFSSA-N 0 0 380.282 2.906 10 0 GFAERN Cc1csc([C@@H]2CN(CC(=O)N3CCSc4ccccc43)CCO2)n1 ZINC000195390897 553046558 /nfs/dbraw/zinc/04/65/58/553046558.db2.gz AOPJVKZDAQYOBI-HNNXBMFYSA-N 0 0 375.519 2.964 10 0 GFAERN O=C(c1ccc(F)cc1I)N1CCC[C@H]1CCCO ZINC000230303392 553065062 /nfs/dbraw/zinc/06/50/62/553065062.db2.gz MDOKKUMAOJQMAV-NSHDSACASA-N 0 0 377.197 2.807 10 0 GFAERN COc1sc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1Br ZINC000245723152 553095650 /nfs/dbraw/zinc/09/56/50/553095650.db2.gz IIPDNCWFGHYWHU-BXUZGUMPSA-N 0 0 375.332 2.672 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245724534 553095709 /nfs/dbraw/zinc/09/57/09/553095709.db2.gz IENBPTVOCBSBPD-ILXRZTDVSA-N 0 0 383.330 2.541 10 0 GFAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000246902870 553115230 /nfs/dbraw/zinc/11/52/30/553115230.db2.gz HUFVQURRGVZYRP-RNJTYBCJSA-N 0 0 393.325 2.732 10 0 GFAERN C[C@@H](NC(=O)Cn1c2ccccc2n(C)c1=O)c1cccc(Br)c1 ZINC000248028929 553126932 /nfs/dbraw/zinc/12/69/32/553126932.db2.gz NLOFYLLRUBKHRI-GFCCVEGCSA-N 0 0 388.265 2.980 10 0 GFAERN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248441717 553129528 /nfs/dbraw/zinc/12/95/28/553129528.db2.gz KJDDLMGHDJYFKW-VMGRFDJRSA-N 0 0 387.307 2.860 10 0 GFAERN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248829639 553135485 /nfs/dbraw/zinc/13/54/85/553135485.db2.gz HULVENBFQCXVEM-JLZZUVOBSA-N 0 0 387.307 2.860 10 0 GFAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000252695933 553150480 /nfs/dbraw/zinc/15/04/80/553150480.db2.gz AYQCDLMUXPRSGT-YRGRVCCFSA-N 0 0 380.432 2.623 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000262721259 553174699 /nfs/dbraw/zinc/17/46/99/553174699.db2.gz PTQLFPYJFLDTRF-UNXYVOJBSA-N 0 0 389.279 2.814 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000262792905 553176062 /nfs/dbraw/zinc/17/60/62/553176062.db2.gz LBROIIDAVLRGJE-FNBIGBAISA-N 0 0 389.279 2.814 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000263016268 553180712 /nfs/dbraw/zinc/18/07/12/553180712.db2.gz IHYUMPAHYVUZKG-UHFFFAOYSA-N 0 0 384.274 2.817 10 0 GFAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375221378 563396265 /nfs/dbraw/zinc/39/62/65/563396265.db2.gz SRPYMRKLQRJIRX-DFBGVHRSSA-N 0 0 378.416 2.542 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)ncn1 ZINC000301302639 563400104 /nfs/dbraw/zinc/40/01/04/563400104.db2.gz WDARCICWZMXNKC-LSDHHAIUSA-N 0 0 383.279 2.890 10 0 GFAERN CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000301337133 563400585 /nfs/dbraw/zinc/40/05/85/563400585.db2.gz GVOLJSQFHCGXRZ-GHMZBOCLSA-N 0 0 385.429 2.748 10 0 GFAERN Cc1ccc(C)c(S(=O)(=O)NCCNc2ccc(Br)cn2)c1 ZINC000301368918 563401700 /nfs/dbraw/zinc/40/17/00/563401700.db2.gz PBYDJDWSIFIFNS-UHFFFAOYSA-N 0 0 384.299 2.851 10 0 GFAERN O=S1(=O)CCN(CCCNc2ccc3cc(Br)ccc3n2)CC1 ZINC000302034230 563418973 /nfs/dbraw/zinc/41/89/73/563418973.db2.gz TYOPHYMYANWYCW-UHFFFAOYSA-N 0 0 398.326 2.530 10 0 GFAERN O=C(NCC1(c2ccc(Br)s2)CCC1)[C@H]1CCc2n[nH]nc2C1 ZINC000375928134 563423505 /nfs/dbraw/zinc/42/35/05/563423505.db2.gz RJIUINOIXUZESS-JTQLQIEISA-N 0 0 395.326 2.972 10 0 GFAERN O=C(c1ccc(F)cc1I)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398690578 563532854 /nfs/dbraw/zinc/53/28/54/563532854.db2.gz NRJIXGVYRVQWLX-HOSYDEDBSA-N 0 0 389.208 2.663 10 0 GFAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cccc(F)c1I ZINC000611154257 566118453 /nfs/dbraw/zinc/11/84/53/566118453.db2.gz DGOQZPKEOGDANT-JOYOIKCWSA-N 0 0 377.197 2.711 10 0 GFAERN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186625429 570306656 /nfs/dbraw/zinc/30/66/56/570306656.db2.gz ICRQGULBDPEYIG-OAHLLOKOSA-N 0 0 376.497 2.759 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C(F)(F)F)[C@H]2C(C)C)cc1 ZINC000004778654 570405298 /nfs/dbraw/zinc/40/52/98/570405298.db2.gz NFYNVFXLBLXMIW-CQSZACIVSA-N 0 0 378.416 2.762 10 0 GFAERN CC(C)CNC(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1 ZINC000064566467 570481830 /nfs/dbraw/zinc/48/18/30/570481830.db2.gz CWFWLHSFZFORRM-UHFFFAOYSA-N 0 0 394.479 2.785 10 0 GFAERN COCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1c1ccccc1C ZINC000036054985 570521777 /nfs/dbraw/zinc/52/17/77/570521777.db2.gz YACKWQJYCBUDSR-RTBURBONSA-N 0 0 384.451 2.753 10 0 GFAERN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(C)=O)CC1 ZINC000036209992 570570976 /nfs/dbraw/zinc/57/09/76/570570976.db2.gz QSRIKDFIBICCAM-FZKQIMNGSA-N 0 0 393.915 2.612 10 0 GFAERN CCOc1ccccc1CNC(=O)CSc1nc2ccccc2n(C)c1=O ZINC000033006636 570619463 /nfs/dbraw/zinc/61/94/63/570619463.db2.gz HOFGDTYFIUBFNQ-UHFFFAOYSA-N 0 0 383.473 2.741 10 0 GFAERN Cc1ccccc1C1=NO[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)C)C1 ZINC000006872530 570664527 /nfs/dbraw/zinc/66/45/27/570664527.db2.gz AKYRJQZOYXQNHF-RTWAWAEBSA-N 0 0 393.487 2.740 10 0 GFAERN O=C(NC1CC1)[C@@H]1CN(C(=O)Nc2cc(F)ccc2F)CC12CCOCC2 ZINC000097077679 570936776 /nfs/dbraw/zinc/93/67/76/570936776.db2.gz YPZKDVYZXHZGPK-AWEZNQCLSA-N 0 0 379.407 2.504 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1Br ZINC000016729530 654519427 /nfs/dbraw/zinc/51/94/27/654519427.db2.gz DBTKPZFTQHRRJP-SNVBAGLBSA-N 0 0 383.267 2.588 10 0 GFAERN COc1ccc(Cl)cc1CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000021497780 654528110 /nfs/dbraw/zinc/52/81/10/654528110.db2.gz JAHMPXCMYOBLLX-OAHLLOKOSA-N 0 0 379.865 2.926 10 0 GFAERN O=S(=O)(/C=C/c1ccccc1)NCCCS(=O)(=O)Cc1ccccc1 ZINC000041628231 654628178 /nfs/dbraw/zinc/62/81/78/654628178.db2.gz FOWMOTCKUCOZQN-NTCAYCPXSA-N 0 0 379.503 2.582 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)s1 ZINC000041759285 654631187 /nfs/dbraw/zinc/63/11/87/654631187.db2.gz WBTURWVSVXAIFX-SECBINFHSA-N 0 0 386.882 2.621 10 0 GFAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000047033181 654689204 /nfs/dbraw/zinc/68/92/04/654689204.db2.gz RJFICKHGOOLHDU-LBPRGKRZSA-N 0 0 381.885 2.890 10 0 GFAERN COc1cc(Br)c(CN2CCO[C@H](Cn3cccn3)C2)c(OC)c1 ZINC000122187930 654731067 /nfs/dbraw/zinc/73/10/67/654731067.db2.gz HGVXGZDZIWKJKP-AWEZNQCLSA-N 0 0 396.285 2.564 10 0 GFAERN C[C@H](NS(=O)(=O)Cc1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000122682512 654742251 /nfs/dbraw/zinc/74/22/51/654742251.db2.gz AHZUCUBWNDIAQZ-NSHDSACASA-N 0 0 389.445 2.549 10 0 GFAERN COC(=O)[C@H](NC(=O)[C@H]1COc2ccc(Br)cc21)c1ccccc1 ZINC000123009528 654749906 /nfs/dbraw/zinc/74/99/06/654749906.db2.gz HPYUUYCLKMBPEH-GOEBONIOSA-N 0 0 390.233 2.956 10 0 GFAERN Cc1ccc(Br)c(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000123215346 654753514 /nfs/dbraw/zinc/75/35/14/654753514.db2.gz AINRXFUFGMEKTG-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1Br ZINC000054065982 654755706 /nfs/dbraw/zinc/75/57/06/654755706.db2.gz QLRWMFQTBBHPBS-CYBMUJFWSA-N 0 0 390.285 2.832 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3cccc(C)c3Br)CCO2)[nH]1 ZINC000124947553 654784244 /nfs/dbraw/zinc/78/42/44/654784244.db2.gz TYDJELKVCXLVAD-GFCCVEGCSA-N 0 0 379.258 2.652 10 0 GFAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@H]1C ZINC000124981492 654785263 /nfs/dbraw/zinc/78/52/63/654785263.db2.gz JQRCLJAPIXKBIG-SCZZXKLOSA-N 0 0 396.690 2.532 10 0 GFAERN COc1cc(Br)c(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1OC ZINC000056166784 654789679 /nfs/dbraw/zinc/78/96/79/654789679.db2.gz FTIKJKUVNMNYJX-SECBINFHSA-N 0 0 397.225 2.816 10 0 GFAERN COc1ccc(C(=O)O[C@@H](C)[C@H]2CCOC2)cc1I ZINC000126164240 654809588 /nfs/dbraw/zinc/80/95/88/654809588.db2.gz ONAIUHJIULRMLJ-ONGXEEELSA-N 0 0 376.190 2.882 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC000126434321 654814235 /nfs/dbraw/zinc/81/42/35/654814235.db2.gz NXYPUVWLKJBDQE-KBPBESRZSA-N 0 0 379.551 2.692 10 0 GFAERN C[C@H](NC(=O)N(CCS(C)(=O)=O)C1CC1)c1cccc(Br)c1 ZINC000127853300 654835838 /nfs/dbraw/zinc/83/58/38/654835838.db2.gz HBUXKWDMUVKPJL-NSHDSACASA-N 0 0 389.315 2.729 10 0 GFAERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000128451984 654847241 /nfs/dbraw/zinc/84/72/41/654847241.db2.gz RCCUBMABWKQCJF-CYBMUJFWSA-N 0 0 384.864 2.559 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cc(C)ccc3Br)CCO2)[nH]1 ZINC000129068539 654855482 /nfs/dbraw/zinc/85/54/82/654855482.db2.gz MVPCFVMMIXFZNW-ZDUSSCGKSA-N 0 0 380.246 2.789 10 0 GFAERN O=C(NCCOC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccccc1 ZINC000130144029 654880754 /nfs/dbraw/zinc/88/07/54/654880754.db2.gz YBEHCLGSOYCOOG-OAHLLOKOSA-N 0 0 390.233 2.898 10 0 GFAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C)c1cccc(Br)c1 ZINC000131379290 654904569 /nfs/dbraw/zinc/90/45/69/654904569.db2.gz YNVRVMDODXIKOO-TUAOUCFPSA-N 0 0 389.315 2.727 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3cc(F)ccc3Br)CCO2)c1 ZINC000132465976 654938685 /nfs/dbraw/zinc/93/86/85/654938685.db2.gz PYCBHCGDDSDAKL-HNNXBMFYSA-N 0 0 396.260 2.563 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000070704867 654993874 /nfs/dbraw/zinc/99/38/74/654993874.db2.gz GYSFYEBMKGIJEB-HNNXBMFYSA-N 0 0 379.507 2.953 10 0 GFAERN O=C(c1coc(Br)c1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000135507750 655018224 /nfs/dbraw/zinc/01/82/24/655018224.db2.gz QEKXLOMZUYXOSN-UHFFFAOYSA-N 0 0 395.257 2.651 10 0 GFAERN COCCN1C[C@@H](C(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1=O ZINC000097699423 655037763 /nfs/dbraw/zinc/03/77/63/655037763.db2.gz UNOVETQXRQAWEM-ZJUUUORDSA-N 0 0 377.243 2.805 10 0 GFAERN CC(C)(C)n1cc(CN2CCN(C(=O)C[C@H]3CSCCS3)CC2)cn1 ZINC000151449962 655051488 /nfs/dbraw/zinc/05/14/88/655051488.db2.gz YOHRHUVOMKWNSF-INIZCTEOSA-N 0 0 382.599 2.521 10 0 GFAERN O=S(=O)(N[C@H](CO)c1ccccc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000102888429 655062993 /nfs/dbraw/zinc/06/29/93/655062993.db2.gz JQIKDDUBIQRPQW-CYBMUJFWSA-N 0 0 377.796 2.953 10 0 GFAERN COc1ccc(Br)cc1CN1CCCN(c2cccnn2)CC1 ZINC000106070679 655101750 /nfs/dbraw/zinc/10/17/50/655101750.db2.gz LJAGAZWRBBFZMJ-UHFFFAOYSA-N 0 0 377.286 2.960 10 0 GFAERN O=C(CN1CCC(Nc2cccnn2)CC1)Nc1ccc(Br)cc1 ZINC000106082792 655102080 /nfs/dbraw/zinc/10/20/80/655102080.db2.gz IYMPEDDSPGKIMT-UHFFFAOYSA-N 0 0 390.285 2.754 10 0 GFAERN CCn1cnnc1C1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000107351994 655120137 /nfs/dbraw/zinc/12/01/37/655120137.db2.gz FTHPUIZTWATNBC-UHFFFAOYSA-N 0 0 393.285 2.846 10 0 GFAERN C[C@@H](Sc1nnc(N2CCOCC2)s1)C(=O)NCc1ccccc1Cl ZINC000109067988 655141698 /nfs/dbraw/zinc/14/16/98/655141698.db2.gz NDJFJOSVNCKEFW-LLVKDONJSA-N 0 0 398.941 2.825 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3cccc(Br)c3)CC2)cn1 ZINC000109655504 655149809 /nfs/dbraw/zinc/14/98/09/655149809.db2.gz AGUMVVHGJFZOLH-UHFFFAOYSA-N 0 0 377.286 2.531 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(Cn3nc(N4CCCC4)sc3=S)C2)no1 ZINC000171357760 655151097 /nfs/dbraw/zinc/15/10/97/655151097.db2.gz LPINFGYNEPDKCH-ZDUSSCGKSA-N 0 0 380.543 2.878 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3ccc(F)cc3Br)CC2)no1 ZINC000109923582 655153989 /nfs/dbraw/zinc/15/39/89/655153989.db2.gz KEOAMIZQNPFFBO-UHFFFAOYSA-N 0 0 397.248 2.628 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)COc3ccc(F)c(Cl)c3)CC2)s1 ZINC000110940505 655162245 /nfs/dbraw/zinc/16/22/45/655162245.db2.gz PGQSQJAPXFAHRC-UHFFFAOYSA-N 0 0 383.876 2.967 10 0 GFAERN Cc1cc(Br)ccc1CNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000110951018 655162477 /nfs/dbraw/zinc/16/24/77/655162477.db2.gz CXYBQKPDZDWXTG-INIZCTEOSA-N 0 0 390.281 2.653 10 0 GFAERN Cc1cnc2c(cccc2S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000111343973 655169345 /nfs/dbraw/zinc/16/93/45/655169345.db2.gz FJOCYDLPJBWABZ-CQSZACIVSA-N 0 0 375.475 2.762 10 0 GFAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2sccc2Br)ncn1 ZINC000173440639 655172388 /nfs/dbraw/zinc/17/23/88/655172388.db2.gz XAPKATOJYKTAHG-JTQLQIEISA-N 0 0 396.314 2.741 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1cccc(Br)c1)CC2 ZINC000173768486 655180638 /nfs/dbraw/zinc/18/06/38/655180638.db2.gz VXNFASFPCSILSG-DGCLKSJQSA-N 0 0 393.285 2.502 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)n1 ZINC000112037187 655181061 /nfs/dbraw/zinc/18/10/61/655181061.db2.gz STAKLWBEJVUBJJ-JTQLQIEISA-N 0 0 386.283 2.796 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3ccc(Cl)cc3Cl)CCO2)c1 ZINC000112067745 655181567 /nfs/dbraw/zinc/18/15/67/655181567.db2.gz NIXDTRQRJLGEEQ-AWEZNQCLSA-N 0 0 384.263 2.805 10 0 GFAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3Cl)CCO2)c1 ZINC000112093625 655182153 /nfs/dbraw/zinc/18/21/53/655182153.db2.gz KFXHGXPAOBWBQP-GFCCVEGCSA-N 0 0 390.292 2.588 10 0 GFAERN Cc1nnc(CN2CCN([C@H](C)c3ccc(Br)cc3)CC2)n1C ZINC000112345790 655188934 /nfs/dbraw/zinc/18/89/34/655188934.db2.gz JKMLKEDRRKEIFU-CYBMUJFWSA-N 0 0 378.318 2.765 10 0 GFAERN Clc1ccc(Cc2nnc(N3CCO[C@H](Cn4cccn4)C3)s2)cc1 ZINC000275005910 655211202 /nfs/dbraw/zinc/21/12/02/655211202.db2.gz DUVCOCKRIQGFGZ-HNNXBMFYSA-N 0 0 375.885 2.884 10 0 GFAERN C[C@H](OC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1cccnc1 ZINC000113684424 655213711 /nfs/dbraw/zinc/21/37/11/655213711.db2.gz BOHMGCMBPFOYPK-ZDUSSCGKSA-N 0 0 380.491 2.775 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCOc1ccc(Br)cc1 ZINC000175726231 655226155 /nfs/dbraw/zinc/22/61/55/655226155.db2.gz UMNMHCSYCUFCJC-AWEZNQCLSA-N 0 0 394.273 2.562 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(OC)ccc1Br)CC2 ZINC000114905522 655230261 /nfs/dbraw/zinc/23/02/61/655230261.db2.gz WTRJMMWTZYJKSA-JTQLQIEISA-N 0 0 394.273 2.748 10 0 GFAERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000176422487 655244981 /nfs/dbraw/zinc/24/49/81/655244981.db2.gz QABKJAIAJXSRGF-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116211630 655246168 /nfs/dbraw/zinc/24/61/68/655246168.db2.gz HGSNGBKTOYZXDU-ZDUSSCGKSA-N 0 0 399.266 2.667 10 0 GFAERN COc1ccccc1-c1nc(C[S@](=O)Cc2nnnn2C(C)C)cs1 ZINC000176498687 655248039 /nfs/dbraw/zinc/24/80/39/655248039.db2.gz FIUCKKUNNLRISZ-VWLOTQADSA-N 0 0 377.495 2.835 10 0 GFAERN C[C@@H]1CN([C@@H](CNC(=O)CSc2ccncc2)c2cccs2)CCO1 ZINC000176601031 655250804 /nfs/dbraw/zinc/25/08/04/655250804.db2.gz QXLRHKDAEIHGFL-ZBFHGGJFSA-N 0 0 377.535 2.813 10 0 GFAERN C[C@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000116945267 655257441 /nfs/dbraw/zinc/25/74/41/655257441.db2.gz VWNGCVYQKHOVTM-IUCAKERBSA-N 0 0 398.287 2.527 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000117282356 655262784 /nfs/dbraw/zinc/26/27/84/655262784.db2.gz FCTRPDSKQKASBM-ZDUSSCGKSA-N 0 0 387.293 2.700 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3cc(Cl)c(Cl)cc3OC)CCO2)[nH]1 ZINC000176947704 655263144 /nfs/dbraw/zinc/26/31/44/655263144.db2.gz FRFVCDQJISLYSC-CYBMUJFWSA-N 0 0 385.251 2.896 10 0 GFAERN C[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)s1 ZINC000177047424 655266224 /nfs/dbraw/zinc/26/62/24/655266224.db2.gz PRKRZTMTIUZBPN-HUTHGQBESA-N 0 0 377.853 2.947 10 0 GFAERN Cc1cnn(CCNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000118071316 655271638 /nfs/dbraw/zinc/27/16/38/655271638.db2.gz ZUWANFVBCZSVFB-OAHLLOKOSA-N 0 0 392.301 2.532 10 0 GFAERN C[C@@H](NC(=O)c1cccnc1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000177278617 655272615 /nfs/dbraw/zinc/27/26/15/655272615.db2.gz UWZJZWFIAIKEAL-SNVBAGLBSA-N 0 0 383.267 2.739 10 0 GFAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCc2cccc(Br)c2C1 ZINC000118381470 655275759 /nfs/dbraw/zinc/27/57/59/655275759.db2.gz AWTMDTHRDCQEFV-KBPBESRZSA-N 0 0 375.266 2.716 10 0 GFAERN O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177519387 655279203 /nfs/dbraw/zinc/27/92/03/655279203.db2.gz HJZIRAMBTGKTBD-LBPRGKRZSA-N 0 0 386.260 2.989 10 0 GFAERN O=C(COc1cc(Cl)ccc1Cl)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118672046 655280472 /nfs/dbraw/zinc/28/04/72/655280472.db2.gz MMDBTFJOUUVJHE-CYBMUJFWSA-N 0 0 381.263 2.947 10 0 GFAERN O=C(COc1ccc(Br)cc1F)N1CCC[C@@H]1Cn1ccnc1 ZINC000177764887 655288102 /nfs/dbraw/zinc/28/81/02/655288102.db2.gz CJORPJBEPSKKBJ-CYBMUJFWSA-N 0 0 382.233 2.855 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000119299140 655297567 /nfs/dbraw/zinc/29/75/67/655297567.db2.gz QKFNJQQBVPGCKN-LBPRGKRZSA-N 0 0 382.251 2.792 10 0 GFAERN O=C(N[C@H]1COc2ccccc21)c1cc(Cn2cc(Br)cn2)on1 ZINC000119553950 655306923 /nfs/dbraw/zinc/30/69/23/655306923.db2.gz QPSLYTAFCLPMRK-AWEZNQCLSA-N 0 0 389.209 2.545 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NCCNc1cccc(Br)c1 ZINC000180358298 655325998 /nfs/dbraw/zinc/32/59/98/655325998.db2.gz DBTLESAYAJHVTR-CQSZACIVSA-N 0 0 386.290 2.748 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000180379032 655326204 /nfs/dbraw/zinc/32/62/04/655326204.db2.gz LWBSXRQBPUSDAD-LURJTMIESA-N 0 0 389.342 2.733 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3cccc(C)c3Br)CCO2)c1 ZINC000120663327 655341686 /nfs/dbraw/zinc/34/16/86/655341686.db2.gz LRSXMNCBGPBFAQ-CQSZACIVSA-N 0 0 378.270 2.804 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1cccc(Br)c1 ZINC000192461345 655405519 /nfs/dbraw/zinc/40/55/19/655405519.db2.gz FEHFJTGEKANZRE-CQSZACIVSA-N 0 0 390.299 2.697 10 0 GFAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000248623175 655432832 /nfs/dbraw/zinc/43/28/32/655432832.db2.gz BOFBJIGQPRLSFD-HUUCEWRRSA-N 0 0 375.296 2.644 10 0 GFAERN Cc1c(Cl)cc(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)cc1Cl ZINC000263490347 655452198 /nfs/dbraw/zinc/45/21/98/655452198.db2.gz OLBGMQXMXZDMKR-LBPRGKRZSA-N 0 0 390.267 2.551 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(Cc2ccc(SC(F)(F)F)cc2)CCO1 ZINC000263534389 655452437 /nfs/dbraw/zinc/45/24/37/655452437.db2.gz YKRIJGISZOMDQM-ZDUSSCGKSA-N 0 0 378.416 2.516 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2ncc(Br)cc2F)C1 ZINC000705656539 655522133 /nfs/dbraw/zinc/52/21/33/655522133.db2.gz ICYUDTGBGWMQRQ-SKDRFNHKSA-N 0 0 390.253 2.623 10 0 GFAERN CCOC(=O)c1ncc(Br)c(N2CCC(Cn3cccn3)CC2)n1 ZINC000892380873 663371935 /nfs/dbraw/zinc/37/19/35/663371935.db2.gz AUGUDQNRHCZOHM-UHFFFAOYSA-N 0 0 394.273 2.529 10 0 GFAERN Cc1csc(SCC(=O)N2CC[C@]3(C2)CCCN(CC2CC2)C3=O)n1 ZINC000091504485 230962333 /nfs/dbraw/zinc/96/23/33/230962333.db2.gz CHXQCHIMRJXBPC-SFHVURJKSA-N 0 0 379.551 2.795 10 0 GFAERN CCCc1nnsc1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 ZINC000225735877 222694356 /nfs/dbraw/zinc/69/43/56/222694356.db2.gz HCACPLVRSYWKOC-UHFFFAOYSA-N 0 0 386.525 2.558 10 0 GFAERN CCCn1c2[nH]c(C=Cc3ccc4c(c3)OCO4)nc2c(=O)n(CCC)c1=O ZINC000033984707 212160099 /nfs/dbraw/zinc/16/00/99/212160099.db2.gz ROSVNDDXKKNTFG-SOFGYWHQSA-N 0 0 382.420 2.605 10 0 GFAERN CC(C)n1cc(C[C@H]2NC(=O)N(Cc3cc(Cl)cc4cccnc43)C2=O)nn1 ZINC000328611221 212084836 /nfs/dbraw/zinc/08/48/36/212084836.db2.gz KSGLSVCCHNLUNL-MRXNPFEDSA-N 0 0 398.854 2.928 10 0 GFAERN Cc1nn(CC(=O)NCCc2ccc(Cl)cc2)c(=O)c2cc3ccccc3n21 ZINC000006751113 220958362 /nfs/dbraw/zinc/95/83/62/220958362.db2.gz PECJWOVGUZFYPR-UHFFFAOYSA-N 0 0 394.862 2.970 10 0 GFAERN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)C1=O ZINC000012021540 221142967 /nfs/dbraw/zinc/14/29/67/221142967.db2.gz XLUNXSKBINLDFJ-KGLIPLIRSA-N 0 0 384.457 2.591 10 0 GFAERN CCOC(=O)[C@H]1CCCCN1C(=O)CCc1nnc(-c2cc(C)oc2C)o1 ZINC000012075209 221148873 /nfs/dbraw/zinc/14/88/73/221148873.db2.gz NJCHKJFOXFSPOP-OAHLLOKOSA-N 0 0 375.425 2.823 10 0 GFAERN COC[C@H](C)NC(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1C ZINC000011909863 221135979 /nfs/dbraw/zinc/13/59/79/221135979.db2.gz BKIVYNYKZDBQRX-ZDUSSCGKSA-N 0 0 383.427 2.850 10 0 GFAERN COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000012201173 221166934 /nfs/dbraw/zinc/16/69/34/221166934.db2.gz FASNJJNLNNGSOK-UHFFFAOYSA-N 0 0 394.836 2.803 10 0 GFAERN COC(=O)CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000014969287 221321541 /nfs/dbraw/zinc/32/15/41/221321541.db2.gz DZXHVKADRGRHES-JOCHJYFZSA-N 0 0 386.492 2.679 10 0 GFAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1N1CCN(c2ccccn2)CC1 ZINC000040799258 132407702 /nfs/dbraw/zinc/40/77/02/132407702.db2.gz GHLBLMSEJIZGKJ-UHFFFAOYSA-N 0 0 383.406 2.802 10 0 GFAERN Cc1noc2nc(CCC(=O)N[C@@H](C)c3ccccc3)nc(N3CCOCC3)c12 ZINC000065056474 136158984 /nfs/dbraw/zinc/15/89/84/136158984.db2.gz CCNMXUIUHLSURS-AWEZNQCLSA-N 0 0 395.463 2.573 10 0 GFAERN CCN(Cc1cnn(CC)c1)C(=O)[C@H]1CCc2nc(N3CCCCC3)ncc2C1 ZINC000065289461 136162598 /nfs/dbraw/zinc/16/25/98/136162598.db2.gz PCRLYMRMOSDDCI-SFHVURJKSA-N 0 0 396.539 2.837 10 0 GFAERN Cc1nc(-c2ccccc2)sc1C(=O)NCc1nccc(N2CCOCC2)n1 ZINC000224170887 136206480 /nfs/dbraw/zinc/20/64/80/136206480.db2.gz KRJPRUFSMAAYQG-UHFFFAOYSA-N 0 0 395.488 2.675 10 0 GFAERN CC(C)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)o2)cc1 ZINC000022423788 221561306 /nfs/dbraw/zinc/56/13/06/221561306.db2.gz VHRYGJPZJWQIPI-UHFFFAOYSA-N 0 0 376.482 2.756 10 0 GFAERN O=C(NCc1cccnc1)[C@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033018625 221764026 /nfs/dbraw/zinc/76/40/26/221764026.db2.gz TYOVBUGIHZXQNK-KRWDZBQOSA-N 0 0 386.459 2.810 10 0 GFAERN CC(C)OCCCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1 ZINC000033256180 221779275 /nfs/dbraw/zinc/77/92/75/221779275.db2.gz WVAGRUQGKGKCBB-UHFFFAOYSA-N 0 0 389.544 2.615 10 0 GFAERN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCCc3ccccc32)cc1 ZINC000035431057 221825062 /nfs/dbraw/zinc/82/50/62/221825062.db2.gz VQIFIGZMCRGXQR-IBGZPJMESA-N 0 0 398.484 2.654 10 0 GFAERN CC[C@@H](C(=O)Nc1ccccc1)n1c2ccccc2nc(N(C)C(C)=O)c1=O ZINC000064987550 222094031 /nfs/dbraw/zinc/09/40/31/222094031.db2.gz PBSOAQRZTQUQNZ-KRWDZBQOSA-N 0 0 378.432 2.969 10 0 GFAERN CCN1CCn2c3ccc(C(=O)Nc4ccc(OC)c(F)c4)cc3nc2C1=O ZINC000065172485 222105723 /nfs/dbraw/zinc/10/57/23/222105723.db2.gz XBAHMJVGXPFJFD-UHFFFAOYSA-N 0 0 382.395 2.912 10 0 GFAERN Cc1ccc(N2CC[C@H](NS(=O)(=O)Cc3ccccc3F)C2=O)cc1C ZINC000065229308 222112419 /nfs/dbraw/zinc/11/24/19/222112419.db2.gz ARWLBIVSQYBHGE-SFHVURJKSA-N 0 0 376.453 2.667 10 0 GFAERN CCN1CCN(C(=O)CCNc2c(-c3cccc(C)c3)nc3cnccn32)CC1 ZINC000064758803 222081040 /nfs/dbraw/zinc/08/10/40/222081040.db2.gz RFLBJCGVAGUNEC-UHFFFAOYSA-N 0 0 392.507 2.671 10 0 GFAERN O=C(NCCc1cccs1)[C@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000065259659 222117085 /nfs/dbraw/zinc/11/70/85/222117085.db2.gz DVMKTSNHEOELQH-QGZVFWFLSA-N 0 0 396.578 2.781 10 0 GFAERN O=C(Nc1ccc(Cl)cc1)c1cn(C[C@@H](O)c2ccc3c(c2)OCO3)nn1 ZINC000065255219 222117240 /nfs/dbraw/zinc/11/72/40/222117240.db2.gz NUTJANXPCWPMDH-OAHLLOKOSA-N 0 0 386.795 2.646 10 0 GFAERN O=C(NCCc1ccncc1)[C@@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000065266159 222118887 /nfs/dbraw/zinc/11/88/87/222118887.db2.gz QZDRTYFKJSUNBI-FQEVSTJZSA-N 0 0 392.503 2.858 10 0 GFAERN CCn1ccc(C(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)n1 ZINC000065266018 222118931 /nfs/dbraw/zinc/11/89/31/222118931.db2.gz HUDQJKZQPXHSPH-QFIPXVFZSA-N 0 0 394.523 2.709 10 0 GFAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000065281801 222120890 /nfs/dbraw/zinc/12/08/90/222120890.db2.gz ZIIRXUWNVFBIHS-HXUWFJFHSA-N 0 0 387.505 2.631 10 0 GFAERN COc1ccc(CS(=O)(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000095076377 222329691 /nfs/dbraw/zinc/32/96/91/222329691.db2.gz BQQKFNDBZVEALS-MRXNPFEDSA-N 0 0 398.525 2.856 10 0 GFAERN CC(C)(C)c1ccn(C2(C(=O)[O-])CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000077322514 222277397 /nfs/dbraw/zinc/27/73/97/222277397.db2.gz MAPNMFJINGCFHP-UHFFFAOYSA-N 0 0 385.464 2.985 10 0 GFAERN CCOC(CNC(=O)c1cc(Br)c(Br)[nH]1)OCC ZINC000095829268 222361109 /nfs/dbraw/zinc/36/11/09/222361109.db2.gz FUQASTTUPMECQZ-UHFFFAOYSA-N 0 0 384.068 2.669 10 0 GFAERN CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@H]2C[C@H]3CCC[C@H]3N2C(=O)[C@H]1C ZINC000097975855 521250363 /nfs/dbraw/zinc/25/03/63/521250363.db2.gz KOVMAAYRBJCASY-RACLHMPKSA-N 0 0 398.503 2.551 10 0 GFAERN CCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073685687 523795353 /nfs/dbraw/zinc/79/53/53/523795353.db2.gz CXYQQQLPGPCXJX-UHFFFAOYSA-N 0 0 394.397 2.931 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000307433611 526428099 /nfs/dbraw/zinc/42/80/99/526428099.db2.gz JNYOIJQETTZRFY-YESZJQIVSA-N 0 0 376.453 2.937 10 0 GFAERN Cc1noc([C@]2(O)CCN(S(=O)(=O)c3cc4cc(Cl)ccc4s3)C2)n1 ZINC000275216914 526675193 /nfs/dbraw/zinc/67/51/93/526675193.db2.gz BREFMYHAZUOCCO-HNNXBMFYSA-N 0 0 399.881 2.528 10 0 GFAERN CCOC(=O)[C@@H]1C[C@@]2(C)C(=O)CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 ZINC000504752226 527889800 /nfs/dbraw/zinc/88/98/00/527889800.db2.gz LKQRJDNQXYKHIT-ABSDTBQOSA-N 0 0 393.505 2.839 10 0 GFAERN C[C@H](NC(=O)c1ccccc1OCC(N)=O)c1ccccc1Br ZINC000027440150 551122741 /nfs/dbraw/zinc/12/27/41/551122741.db2.gz LFBMOEVQQFNQJI-NSHDSACASA-N 0 0 377.238 2.804 10 0 GFAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000027565768 551122997 /nfs/dbraw/zinc/12/29/97/551122997.db2.gz QYEZJIDMEQRPPC-CYBMUJFWSA-N 0 0 377.794 2.850 10 0 GFAERN CCN1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000040503789 551134838 /nfs/dbraw/zinc/13/48/38/551134838.db2.gz AYRQCIANDVNQEZ-NSHDSACASA-N 0 0 381.723 2.865 10 0 GFAERN C[C@@H](NC(=O)c1sccc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000044820040 551144793 /nfs/dbraw/zinc/14/47/93/551144793.db2.gz ZTPULQRSRTYYPT-MRVPVSSYSA-N 0 0 389.296 2.649 10 0 GFAERN C[C@H](NC(=O)Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1CCCO1 ZINC000047805974 551153550 /nfs/dbraw/zinc/15/35/50/551153550.db2.gz WSWGQQGLQJGVEH-LRDDRELGSA-N 0 0 398.301 2.975 10 0 GFAERN C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Br)C[C@@H](C)O1 ZINC000066411047 551187104 /nfs/dbraw/zinc/18/71/04/551187104.db2.gz QWHMYDBWZMLUBV-WZRBSPASSA-N 0 0 378.694 2.951 10 0 GFAERN C[C@H](NC(=O)NCC(=O)Nc1cccnc1)c1cccc(Br)c1 ZINC000101606480 551196929 /nfs/dbraw/zinc/19/69/29/551196929.db2.gz VKZXMPULGIEOLI-NSHDSACASA-N 0 0 377.242 2.843 10 0 GFAERN Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)CCC(=O)N2C)cn1 ZINC000115201650 551209791 /nfs/dbraw/zinc/20/97/91/551209791.db2.gz WYMBCZGSAHNCSG-GOEBONIOSA-N 0 0 391.269 2.731 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116311511 551211932 /nfs/dbraw/zinc/21/19/32/551211932.db2.gz PVSAXUZLEIYCTJ-ZDUSSCGKSA-N 0 0 377.286 2.919 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3c(F)cccc3F)CC2)cs1 ZINC000116351393 551212799 /nfs/dbraw/zinc/21/27/99/551212799.db2.gz ICCRJCCYDAHUKX-UHFFFAOYSA-N 0 0 387.477 2.626 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000120974083 551223798 /nfs/dbraw/zinc/22/37/98/551223798.db2.gz QZVRQZGDZWMIGP-UONOGXRCSA-N 0 0 386.235 2.708 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)CCc2cccc(Br)c2)n1 ZINC000121012682 551225356 /nfs/dbraw/zinc/22/53/56/551225356.db2.gz FEBHYZHRFSLRFU-CQSZACIVSA-N 0 0 380.242 2.673 10 0 GFAERN Brc1ccc(-c2c[nH]c(CN3CC[C@@H](N4CCOCC4)C3)n2)cc1 ZINC000121037330 551225670 /nfs/dbraw/zinc/22/56/70/551225670.db2.gz MASWODCMSLFEOB-MRXNPFEDSA-N 0 0 391.313 2.746 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)c2c[nH]c3cccc(Br)c32)n1 ZINC000121033536 551225930 /nfs/dbraw/zinc/22/59/30/551225930.db2.gz HWXDEZARMPVZCA-ZDUSSCGKSA-N 0 0 391.225 2.836 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H](O)COC(C)(C)C ZINC000123106911 551303125 /nfs/dbraw/zinc/30/31/25/551303125.db2.gz ZFQOETDPXCZVNI-AWEZNQCLSA-N 0 0 387.318 2.804 10 0 GFAERN O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123302789 551304779 /nfs/dbraw/zinc/30/47/79/551304779.db2.gz ZBADGCIFFSQYHK-SJCJKPOMSA-N 0 0 381.270 2.541 10 0 GFAERN O=C(Nc1ccccc1Br)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123385541 551306258 /nfs/dbraw/zinc/30/62/58/551306258.db2.gz OSUHCNBUOYFPGM-SJKOYZFVSA-N 0 0 381.270 2.541 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccccc1Br ZINC000134848963 551386247 /nfs/dbraw/zinc/38/62/47/551386247.db2.gz YWXXRNFKSSTFJL-GFCCVEGCSA-N 0 0 379.258 2.633 10 0 GFAERN COC[C@@H](C)CNC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000139575339 551392095 /nfs/dbraw/zinc/39/20/95/551392095.db2.gz DBDOAHDNTSJKGO-FZMZJTMJSA-N 0 0 387.274 2.635 10 0 GFAERN Cc1noc([C@@H](C)N2CCN(C[C@H](O)c3ccccc3Br)CC2)n1 ZINC000152946293 551443102 /nfs/dbraw/zinc/44/31/02/551443102.db2.gz RFUWUWBKNSOGMU-WBMJQRKESA-N 0 0 395.301 2.553 10 0 GFAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H](C)c2ccccc2Br)c1 ZINC000153279445 551449353 /nfs/dbraw/zinc/44/93/53/551449353.db2.gz FJXCEJCTHWEHSG-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000154018229 551465471 /nfs/dbraw/zinc/46/54/71/551465471.db2.gz XABBSVYWEMIOES-PBHICJAKSA-N 0 0 392.297 2.752 10 0 GFAERN COc1ccc(C(=O)N2CCS[C@H](C)C2)c(I)c1 ZINC000155047663 551489598 /nfs/dbraw/zinc/48/95/98/551489598.db2.gz YMVUYJANWCPHQM-SECBINFHSA-N 0 0 377.247 2.877 10 0 GFAERN C[C@@H](C(=O)NC[C@H]1CCCS1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000155071694 551490629 /nfs/dbraw/zinc/49/06/29/551490629.db2.gz ZTEVQWYGLFSSDL-DTWKUNHWSA-N 0 0 387.288 2.990 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CSCc1cccc(Cl)c1 ZINC000155295316 551496685 /nfs/dbraw/zinc/49/66/85/551496685.db2.gz BVQRWWJDRFPYBA-CQSZACIVSA-N 0 0 380.901 2.962 10 0 GFAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)CNS(=O)(=O)c1cccs1 ZINC000156468843 551523576 /nfs/dbraw/zinc/52/35/76/551523576.db2.gz XCOZTWJHHXTFLE-QGZVFWFLSA-N 0 0 378.519 2.856 10 0 GFAERN CSc1nsc(NC(=O)N2CCCN(Cc3csc(C)n3)CC2)n1 ZINC000156774046 551527810 /nfs/dbraw/zinc/52/78/10/551527810.db2.gz KTYWNXRPGMIDMF-UHFFFAOYSA-N 0 0 384.556 2.765 10 0 GFAERN Cc1cccc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)c1Br ZINC000156859881 551529241 /nfs/dbraw/zinc/52/92/41/551529241.db2.gz OYPKOPJXTBGREW-NSHDSACASA-N 0 0 399.314 2.725 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000157068926 551532796 /nfs/dbraw/zinc/53/27/96/551532796.db2.gz WXJVYCJGWIYSMD-NSHDSACASA-N 0 0 375.281 2.961 10 0 GFAERN O=S(=O)(c1ccc(F)c(F)c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158569425 551553917 /nfs/dbraw/zinc/55/39/17/551553917.db2.gz HDZBZWNBMZJAQE-QFYYESIMSA-N 0 0 375.343 2.740 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCc1ccc(Br)cc1)CC2 ZINC000159323574 551563474 /nfs/dbraw/zinc/56/34/74/551563474.db2.gz LVKTVUKUSKVLFJ-CQSZACIVSA-N 0 0 392.301 2.978 10 0 GFAERN C[C@H]1CN(C(=O)CCCc2ccccc2Br)C[C@H]1N1CCOCC1 ZINC000164423176 551625668 /nfs/dbraw/zinc/62/56/68/551625668.db2.gz LNSZDLYSVWTJLP-MAUKXSAKSA-N 0 0 395.341 2.951 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1nnc2n1CCCC2 ZINC000165550143 551629797 /nfs/dbraw/zinc/62/97/97/551629797.db2.gz SXYFBAJRXOXHLB-VIFPVBQESA-N 0 0 382.251 2.737 10 0 GFAERN COC[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000167843993 551633369 /nfs/dbraw/zinc/63/33/69/551633369.db2.gz SOCBMNPDTQQZDI-DOMZBBRYSA-N 0 0 383.286 2.652 10 0 GFAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(I)cc1Cl ZINC000170755889 551638906 /nfs/dbraw/zinc/63/89/06/551638906.db2.gz PKQZDESNHSGHKQ-YUMQZZPRSA-N 0 0 379.581 2.692 10 0 GFAERN Cc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1cccc(Br)c1)CC2 ZINC000171037456 551644571 /nfs/dbraw/zinc/64/45/71/551644571.db2.gz BEYAOIHSTAIEBO-HZMBPMFUSA-N 0 0 378.274 2.724 10 0 GFAERN COC(=O)C[C@H](NC(=O)NCC1CCOCC1)c1cccc(Br)c1 ZINC000171172556 551649125 /nfs/dbraw/zinc/64/91/25/551649125.db2.gz UWEJCHOYKFVPPR-HNNXBMFYSA-N 0 0 399.285 2.779 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)nc3Cl)C2)no1 ZINC000171429177 551655811 /nfs/dbraw/zinc/65/58/11/551655811.db2.gz IFEHCCPGIHTBMY-JTQLQIEISA-N 0 0 391.280 2.723 10 0 GFAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2Br)cn1 ZINC000171432712 551655893 /nfs/dbraw/zinc/65/58/93/551655893.db2.gz AMNSMODLKMNLPL-ZDUSSCGKSA-N 0 0 388.262 2.848 10 0 GFAERN C[C@H](NC(=O)CN1CCC[C@H](n2cncn2)C1)c1ccc(Br)cc1 ZINC000171703817 551661444 /nfs/dbraw/zinc/66/14/44/551661444.db2.gz KVMLQVOBQDKNAE-BBRMVZONSA-N 0 0 392.301 2.555 10 0 GFAERN Brc1ccc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)nc1 ZINC000171960688 551667371 /nfs/dbraw/zinc/66/73/71/551667371.db2.gz CQVKEODJWLXQIX-UHFFFAOYSA-N 0 0 392.301 2.812 10 0 GFAERN CSc1ncc(Cl)c(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1 ZINC000172300733 551675164 /nfs/dbraw/zinc/67/51/64/551675164.db2.gz HXIKQMSDQGJLKT-GFCCVEGCSA-N 0 0 380.905 2.613 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)NCCc3ccc(Br)cc3)C2)cn1 ZINC000172291183 551675386 /nfs/dbraw/zinc/67/53/86/551675386.db2.gz COHCIVZRRCMSJC-AWEZNQCLSA-N 0 0 377.286 2.924 10 0 GFAERN C[C@@H](NC(=O)NCc1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1Cl ZINC000172502855 551680358 /nfs/dbraw/zinc/68/03/58/551680358.db2.gz OYANIMPWPVGUPP-SNVBAGLBSA-N 0 0 385.848 2.687 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)C3(c4cccc(Br)c4)CC3)CCO2)[nH]1 ZINC000173090311 551695487 /nfs/dbraw/zinc/69/54/87/551695487.db2.gz LGRAVZSFPWFGSP-AWEZNQCLSA-N 0 0 391.269 2.507 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3cc4cc(Br)ccc4o3)CCO2)[nH]1 ZINC000173092355 551695564 /nfs/dbraw/zinc/69/55/64/551695564.db2.gz LIFMRQBMBYFIMX-AWEZNQCLSA-N 0 0 391.225 2.836 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(Br)cn3C(C)C)CCO2)[nH]1 ZINC000173093702 551695922 /nfs/dbraw/zinc/69/59/22/551695922.db2.gz NKCNHNWOPIZMEQ-ZDUSSCGKSA-N 0 0 396.289 2.726 10 0 GFAERN COc1c(Br)c(C)sc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000173636772 552089855 /nfs/dbraw/zinc/08/98/55/552089855.db2.gz DMLBLJUCGYEZEQ-LLVKDONJSA-N 0 0 399.314 2.972 10 0 GFAERN O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@@H]1Cn1ccnc1 ZINC000173836006 552093624 /nfs/dbraw/zinc/09/36/24/552093624.db2.gz VHIBCBDTUIOWBP-GFCCVEGCSA-N 0 0 388.262 2.638 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1sccc1Br ZINC000173841282 552093926 /nfs/dbraw/zinc/09/39/26/552093926.db2.gz USOVJCZULMFONT-LLVKDONJSA-N 0 0 390.328 2.869 10 0 GFAERN C[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000173850662 552094027 /nfs/dbraw/zinc/09/40/27/552094027.db2.gz ATFQFFYNEHFXLV-ABAIWWIYSA-N 0 0 387.705 2.895 10 0 GFAERN CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000174084542 552098591 /nfs/dbraw/zinc/09/85/91/552098591.db2.gz ZHTACNNDKPRVIB-UKRRQHHQSA-N 0 0 388.339 2.559 10 0 GFAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3Cl)C2=O)n(C)n1 ZINC000175019688 552114204 /nfs/dbraw/zinc/11/42/04/552114204.db2.gz KLRXAWNHOSPHRL-CQSZACIVSA-N 0 0 381.263 2.961 10 0 GFAERN Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)cc1 ZINC000175222400 552118383 /nfs/dbraw/zinc/11/83/83/552118383.db2.gz XSEWCUBPUFXHDD-NVXWUHKLSA-N 0 0 380.535 2.797 10 0 GFAERN Cc1cc(Br)ccc1CNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175774696 552129311 /nfs/dbraw/zinc/12/93/11/552129311.db2.gz DCSOZTJUENOQFD-YOEHRIQHSA-N 0 0 396.329 2.620 10 0 GFAERN Cc1cc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)sc1Br ZINC000177002494 552149445 /nfs/dbraw/zinc/14/94/45/552149445.db2.gz CNDNRCWCOZKHHJ-VIFPVBQESA-N 0 0 391.316 2.532 10 0 GFAERN COc1c(Br)c(C)sc1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000177726022 552157874 /nfs/dbraw/zinc/15/78/74/552157874.db2.gz QLTRVNTXLPPWLS-SECBINFHSA-N 0 0 385.287 2.992 10 0 GFAERN CNC(=O)[C@H](NC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1)C(C)C ZINC000178696844 552173974 /nfs/dbraw/zinc/17/39/74/552173974.db2.gz XAUANOQCGCRZQP-XHDPSFHLSA-N 0 0 383.286 2.545 10 0 GFAERN C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)c1cccs1 ZINC000179034972 552182846 /nfs/dbraw/zinc/18/28/46/552182846.db2.gz ZSQUXDRRGMCARG-SECBINFHSA-N 0 0 393.943 2.802 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000179236689 552187806 /nfs/dbraw/zinc/18/78/06/552187806.db2.gz YCVIHIQDLXQMRS-HZMBPMFUSA-N 0 0 379.254 2.572 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000179255335 552188535 /nfs/dbraw/zinc/18/85/35/552188535.db2.gz OYDHTLIHFZHNQC-GWCFXTLKSA-N 0 0 379.254 2.572 10 0 GFAERN CN(Cc1cscn1)C(=O)[C@H]1CCC[C@@H]1C(=O)N(C)Cc1cscn1 ZINC000179620468 552197728 /nfs/dbraw/zinc/19/77/28/552197728.db2.gz UOFHDXLQHPCCSG-GJZGRUSLSA-N 0 0 378.523 2.633 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000179778914 552203058 /nfs/dbraw/zinc/20/30/58/552203058.db2.gz RRYPWKQFBSNVLX-ZFWWWQNUSA-N 0 0 383.279 2.873 10 0 GFAERN O=C(CSc1cccc(Br)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000179854970 552205102 /nfs/dbraw/zinc/20/51/02/552205102.db2.gz QYQWBJAJCRXPTN-CYBMUJFWSA-N 0 0 381.299 2.996 10 0 GFAERN CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]2c2ccco2)c(Cl)s1 ZINC000179953449 552208042 /nfs/dbraw/zinc/20/80/42/552208042.db2.gz POYLLHJUQLBPIH-VIFPVBQESA-N 0 0 395.911 2.924 10 0 GFAERN Cn1c(CS(=O)(=O)Cc2ccc(F)c(Br)c2)nnc1C1CC1 ZINC000180053335 552211044 /nfs/dbraw/zinc/21/10/44/552211044.db2.gz AVPAEROBXOOBTB-UHFFFAOYSA-N 0 0 388.262 2.709 10 0 GFAERN Cc1csc([C@H]2CN(CCCS(=O)(=O)c3ccc(C)cc3)CCO2)n1 ZINC000180597740 552230742 /nfs/dbraw/zinc/23/07/42/552230742.db2.gz BYOTVXJBVYSSBT-QGZVFWFLSA-N 0 0 380.535 2.997 10 0 GFAERN C[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)c1cccs1 ZINC000182353200 552281241 /nfs/dbraw/zinc/28/12/41/552281241.db2.gz DFVCOYDUJYKBFN-DZGCQCFKSA-N 0 0 385.555 2.845 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccc(Br)nc2)C1 ZINC000183237002 552303748 /nfs/dbraw/zinc/30/37/48/552303748.db2.gz BAFVLOGSMKWCTN-NSHDSACASA-N 0 0 379.262 2.867 10 0 GFAERN COc1cc(Br)c(F)cc1S(=O)(=O)N1CCS[C@H](C)C1 ZINC000183647216 552315870 /nfs/dbraw/zinc/31/58/70/552315870.db2.gz DQORNIZNLUHYOH-MRVPVSSYSA-N 0 0 384.292 2.723 10 0 GFAERN COCCN1CCN(C(=O)c2cccc(Br)c2Cl)C[C@@H]1C ZINC000183828103 552320488 /nfs/dbraw/zinc/32/04/88/552320488.db2.gz KHZFLXMDPJYRGK-NSHDSACASA-N 0 0 375.694 2.895 10 0 GFAERN CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000184913562 552347845 /nfs/dbraw/zinc/34/78/45/552347845.db2.gz JRYFLYABTZCXJJ-VIFPVBQESA-N 0 0 383.297 2.700 10 0 GFAERN O[C@@H](CN1CCC(Nc2cccnn2)CC1)c1ccc(F)c(Br)c1 ZINC000185000291 552350690 /nfs/dbraw/zinc/35/06/90/552350690.db2.gz NVXZTHXVASYTLY-INIZCTEOSA-N 0 0 395.276 2.988 10 0 GFAERN CN1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000185156522 552355933 /nfs/dbraw/zinc/35/59/33/552355933.db2.gz CMJRMBOVHJEZPB-FRFSOERESA-N 0 0 387.307 2.908 10 0 GFAERN Cc1ccc(CCC(=O)N2CCO[C@@H](Cn3cccn3)C2)c(Br)c1 ZINC000185378755 552362295 /nfs/dbraw/zinc/36/22/95/552362295.db2.gz WSNXHGYHNFPICQ-MRXNPFEDSA-N 0 0 392.297 2.814 10 0 GFAERN O=C(NCCCOCCO)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000185575453 552366071 /nfs/dbraw/zinc/36/60/71/552366071.db2.gz OXJRUGWAAVISEJ-ZBFHGGJFSA-N 0 0 376.280 2.976 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)N[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186273411 552383269 /nfs/dbraw/zinc/38/32/69/552383269.db2.gz HNVDVSGAVPNAQI-MLGOLLRUSA-N 0 0 398.326 2.741 10 0 GFAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186623438 552392616 /nfs/dbraw/zinc/39/26/16/552392616.db2.gz XLYSGGOKAJLBQD-NSHDSACASA-N 0 0 389.279 2.768 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(F)cc1Br ZINC000186783891 552397807 /nfs/dbraw/zinc/39/78/07/552397807.db2.gz FBAWRGDGVLXVBX-ZDUSSCGKSA-N 0 0 381.249 2.936 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ncc(Br)cc1F ZINC000187306121 552412280 /nfs/dbraw/zinc/41/22/80/552412280.db2.gz YKAZKZNUVYAOFI-BXKDBHETSA-N 0 0 384.253 2.907 10 0 GFAERN CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000187813534 552424777 /nfs/dbraw/zinc/42/47/77/552424777.db2.gz CQKRVMNMIWAHIK-CVEARBPZSA-N 0 0 398.345 2.742 10 0 GFAERN Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cc1Br ZINC000188117776 552435514 /nfs/dbraw/zinc/43/55/14/552435514.db2.gz UAXIAXWTZXGLDK-OCCSQVGLSA-N 0 0 383.286 2.672 10 0 GFAERN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC[C@@H](Cn2cncn2)C1 ZINC000188159933 552437593 /nfs/dbraw/zinc/43/75/93/552437593.db2.gz JZSPTFJDNORTBT-JTQLQIEISA-N 0 0 393.271 2.825 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000188186238 552438580 /nfs/dbraw/zinc/43/85/80/552438580.db2.gz CAVTVYOOOQRPLF-ZDUSSCGKSA-N 0 0 393.285 2.971 10 0 GFAERN O=C(NC1CN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)C1)C1CCC1 ZINC000188536421 552447219 /nfs/dbraw/zinc/44/72/19/552447219.db2.gz FCSCWGMAQKWDNC-HOTGVXAUSA-N 0 0 377.282 2.680 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)NCc3ccc(Br)cc3)CCO2)cn1 ZINC000188706254 552452683 /nfs/dbraw/zinc/45/26/83/552452683.db2.gz RWYZPJRHIRKZQF-INIZCTEOSA-N 0 0 393.285 2.949 10 0 GFAERN C[S@](=O)c1ccc(NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1F ZINC000189031361 552461530 /nfs/dbraw/zinc/46/15/30/552461530.db2.gz MHNKHSYBXVYMRU-CAVMCXFUSA-N 0 0 382.482 2.864 10 0 GFAERN O=C(NC1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C1)C1CC1 ZINC000189384094 552470319 /nfs/dbraw/zinc/47/03/19/552470319.db2.gz JQUCIJKOVKXBPH-UHFFFAOYSA-N 0 0 391.187 2.819 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(C)c1Br ZINC000189877587 552481817 /nfs/dbraw/zinc/48/18/17/552481817.db2.gz DJKVSLZZVYBFAB-ZDUSSCGKSA-N 0 0 378.274 2.992 10 0 GFAERN C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@H]1N1CCOCC1 ZINC000189935290 552483303 /nfs/dbraw/zinc/48/33/03/552483303.db2.gz ULKFFYIUVVNCOU-WCQYABFASA-N 0 0 380.901 2.584 10 0 GFAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)cc(C)c1Br ZINC000190590459 552502335 /nfs/dbraw/zinc/50/23/35/552502335.db2.gz KUAFIBUYJQHFHP-GXTWGEPZSA-N 0 0 383.286 2.672 10 0 GFAERN CNS(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2Cl)nc1 ZINC000190638687 552504522 /nfs/dbraw/zinc/50/45/22/552504522.db2.gz GUKCSGCEHLLIJT-VIFPVBQESA-N 0 0 386.836 2.665 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190748592 552508073 /nfs/dbraw/zinc/50/80/73/552508073.db2.gz HOUXLDKMCRJHGM-CQSZACIVSA-N 0 0 391.269 2.584 10 0 GFAERN CSc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1Cl ZINC000190759843 552508506 /nfs/dbraw/zinc/50/85/06/552508506.db2.gz FWJHGLHTNGCENU-CYBMUJFWSA-N 0 0 378.885 2.888 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1cccc(Br)c1C)CC2 ZINC000191834954 552539728 /nfs/dbraw/zinc/53/97/28/552539728.db2.gz GYKCXNSKTMCNRQ-CYBMUJFWSA-N 0 0 377.286 2.585 10 0 GFAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000191856448 552540093 /nfs/dbraw/zinc/54/00/93/552540093.db2.gz IQDAOHUGKHOJMS-RISCZKNCSA-N 0 0 380.491 2.967 10 0 GFAERN O=C(c1cc(Br)c(F)cc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000192128256 552552273 /nfs/dbraw/zinc/55/22/73/552552273.db2.gz WEURTSDHUDZTNF-SNVBAGLBSA-N 0 0 385.212 2.871 10 0 GFAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(Br)c2F)C1 ZINC000192223899 552556867 /nfs/dbraw/zinc/55/68/67/552556867.db2.gz IWQIXMVGJGMAMQ-CABZTGNLSA-N 0 0 384.205 2.882 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CCO2)[nH]1 ZINC000192302783 552559019 /nfs/dbraw/zinc/55/90/19/552559019.db2.gz XJWACJUZJJUMQZ-NSHDSACASA-N 0 0 385.255 2.862 10 0 GFAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ncc(Br)s1 ZINC000192407951 552562040 /nfs/dbraw/zinc/56/20/40/552562040.db2.gz ZWHHKJHJDLECKE-VIFPVBQESA-N 0 0 387.280 2.554 10 0 GFAERN CCn1cnnc1C1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000192613931 552567734 /nfs/dbraw/zinc/56/77/34/552567734.db2.gz IEDNZRPGQWYITB-UHFFFAOYSA-N 0 0 386.880 2.800 10 0 GFAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000194536741 553023715 /nfs/dbraw/zinc/02/37/15/553023715.db2.gz SZSISBUIFGAEIL-TZMCWYRMSA-N 0 0 377.242 2.625 10 0 GFAERN CCOC(=O)[C@H](NC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000194764130 553028567 /nfs/dbraw/zinc/02/85/67/553028567.db2.gz KJVGKTRFOMPRSM-OAHLLOKOSA-N 0 0 380.853 2.552 10 0 GFAERN Cc1csc([C@@H]2CCCN(CC(=O)NC(=O)NCc3cccs3)C2)n1 ZINC000195328676 553045480 /nfs/dbraw/zinc/04/54/80/553045480.db2.gz HRDFZDCFUCLHKP-CYBMUJFWSA-N 0 0 378.523 2.718 10 0 GFAERN CC(C)n1nnnc1CS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000195426816 553048216 /nfs/dbraw/zinc/04/82/16/553048216.db2.gz PTCOQEDFXHOESZ-UHFFFAOYSA-N 0 0 393.694 2.785 10 0 GFAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000195483002 553050596 /nfs/dbraw/zinc/05/05/96/553050596.db2.gz AGWLLWQRUHIPCU-CQSZACIVSA-N 0 0 391.221 2.646 10 0 GFAERN C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000228525785 553063897 /nfs/dbraw/zinc/06/38/97/553063897.db2.gz QGUUGYGHYNAPIL-XJKCOSOUSA-N 0 0 395.297 2.690 10 0 GFAERN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H]1C[C@H]1C ZINC000246236620 553105073 /nfs/dbraw/zinc/10/50/73/553105073.db2.gz VNYKODCGVVCOSB-UGFHNGPFSA-N 0 0 382.302 2.942 10 0 GFAERN C[C@H](NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)c1c(Cl)ccc(F)c1Cl ZINC000246335344 553106424 /nfs/dbraw/zinc/10/64/24/553106424.db2.gz DWBVSTXCQDWJKG-RNSXUZJQSA-N 0 0 378.231 2.526 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@@H]1C ZINC000246646567 553111386 /nfs/dbraw/zinc/11/13/86/553111386.db2.gz GAEVYNRXNYBGMM-QWRGUYRKSA-N 0 0 375.694 2.630 10 0 GFAERN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)o1 ZINC000248257500 553128436 /nfs/dbraw/zinc/12/84/36/553128436.db2.gz PAXJXDFOCSBWRI-ZIAGYGMSSA-N 0 0 382.507 2.988 10 0 GFAERN Cc1csc([C@H]2CN([C@H](C)C(=O)N3CCc4sccc4C3)CCO2)n1 ZINC000249906670 553146741 /nfs/dbraw/zinc/14/67/41/553146741.db2.gz VBIVXGFANJCRMX-UKRRQHHQSA-N 0 0 377.535 2.860 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(C)ccc2Br)C1 ZINC000263079378 553182108 /nfs/dbraw/zinc/18/21/08/553182108.db2.gz QYBFGPMJWHRDTK-UHFFFAOYSA-N 0 0 384.274 2.817 10 0 GFAERN Cc1ccc(S(=O)(=O)NC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 ZINC000096269302 560054349 /nfs/dbraw/zinc/05/43/49/560054349.db2.gz NBVUGESBPCHGNQ-KRWDZBQOSA-N 0 0 383.473 2.736 10 0 GFAERN Cn1nc(Br)c2c1ncnc2NCc1nccn1Cc1ccccc1 ZINC000301466339 563404140 /nfs/dbraw/zinc/40/41/40/563404140.db2.gz LSIWSXQCLABFEZ-UHFFFAOYSA-N 0 0 398.268 2.983 10 0 GFAERN COC(=O)[C@@]12CCC[C@H]1CN(c1ccccc1S(=O)(=O)C(F)(F)F)C2 ZINC000302065445 563419982 /nfs/dbraw/zinc/41/99/82/563419982.db2.gz ASASVRJLPBMHQT-XHDPSFHLSA-N 0 0 377.384 2.760 10 0 GFAERN CC(C)n1cc(C[C@H]2NC(=O)N(Cc3csc(Br)c3)C2=O)nn1 ZINC000328610682 563461598 /nfs/dbraw/zinc/46/15/98/563461598.db2.gz ITLLUMSWSIOTTJ-LLVKDONJSA-N 0 0 398.286 2.551 10 0 GFAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000529274845 564827429 /nfs/dbraw/zinc/82/74/29/564827429.db2.gz JABUFZKJYRHEMC-VDTYLAMSSA-N 0 0 396.104 2.670 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)c1cccc(F)c1I ZINC000611007113 566109988 /nfs/dbraw/zinc/10/99/88/566109988.db2.gz JXLFPFQCCQTCJV-BXKDBHETSA-N 0 0 377.197 2.711 10 0 GFAERN COC1(c2nc(-c3ccccn3)no2)CCN(C(=O)c2c[nH]nc2C2CC2)CC1 ZINC000568115291 570278261 /nfs/dbraw/zinc/27/82/61/570278261.db2.gz APEGCLRLVLXESG-UHFFFAOYSA-N 0 0 394.435 2.510 10 0 GFAERN Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000224190704 570436398 /nfs/dbraw/zinc/43/63/98/570436398.db2.gz AMYQZBVELDWCOX-UHFFFAOYSA-N 0 0 382.489 2.997 10 0 GFAERN C[C@H](NC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)c1ccccc1 ZINC000006798666 570599811 /nfs/dbraw/zinc/59/98/11/570599811.db2.gz SYYWDZAJFQQFKP-GOEBONIOSA-N 0 0 399.520 2.759 10 0 GFAERN COCCNC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc(Cl)c1 ZINC000006835254 570637833 /nfs/dbraw/zinc/63/78/33/570637833.db2.gz FOBLUBUEGOVBAE-GBXVCHKXSA-N 0 0 394.899 2.850 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)CCn1cccn1)CC2 ZINC000275768463 570699488 /nfs/dbraw/zinc/69/94/88/570699488.db2.gz SCALNSDEDNTRQH-GOSISDBHSA-N 0 0 386.521 2.765 10 0 GFAERN Cc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)ccc1Br ZINC000025381626 654549477 /nfs/dbraw/zinc/54/94/77/654549477.db2.gz RRYGCYFCMJTANS-OAHLLOKOSA-N 0 0 376.254 2.976 10 0 GFAERN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000044374769 654656946 /nfs/dbraw/zinc/65/69/46/654656946.db2.gz IXQFPBGFASMPNV-JQWIXIFHSA-N 0 0 379.309 2.842 10 0 GFAERN COC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000045293982 654666822 /nfs/dbraw/zinc/66/68/22/654666822.db2.gz MAYKCLNNCGMNLE-STQMWFEESA-N 0 0 388.917 2.525 10 0 GFAERN C[C@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000049788096 654716172 /nfs/dbraw/zinc/71/61/72/654716172.db2.gz MDNOOHZUKADVQD-CMPLNLGQSA-N 0 0 394.324 2.778 10 0 GFAERN CN(C(=O)c1ccccc1Br)[C@H]1CCCN(c2cccnn2)C1 ZINC000122293037 654732616 /nfs/dbraw/zinc/73/26/16/654732616.db2.gz FJQCUDANIHNIHT-ZDUSSCGKSA-N 0 0 375.270 2.980 10 0 GFAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123195348 654752687 /nfs/dbraw/zinc/75/26/87/654752687.db2.gz OWNFCEKSCIBLJS-PIGZYNQJSA-N 0 0 399.260 2.680 10 0 GFAERN CSCCCNC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000124023232 654769084 /nfs/dbraw/zinc/76/90/84/654769084.db2.gz RDVACTLNENAYQQ-QMMMGPOBSA-N 0 0 375.277 2.847 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)Nc3cc(Br)ccc3F)CCO2)[nH]1 ZINC000126073440 654808514 /nfs/dbraw/zinc/80/85/14/654808514.db2.gz KQCLRORVFBXIDN-LBPRGKRZSA-N 0 0 398.236 2.874 10 0 GFAERN COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)c(C)n1 ZINC000126263909 654811853 /nfs/dbraw/zinc/81/18/53/654811853.db2.gz FQUWYIWWONKJOR-SNVBAGLBSA-N 0 0 392.253 2.977 10 0 GFAERN Cc1[nH]c(=O)c(C(=O)N2CCC(Cn3cccn3)CC2)cc1Br ZINC000127420824 654829548 /nfs/dbraw/zinc/82/95/48/654829548.db2.gz LYRZYNPGIFTFHX-UHFFFAOYSA-N 0 0 379.258 2.607 10 0 GFAERN CC(C)N(CCS(C)(=O)=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000129629478 654868973 /nfs/dbraw/zinc/86/89/73/654868973.db2.gz DCXPDWKSYHHRIE-GFCCVEGCSA-N 0 0 391.331 2.975 10 0 GFAERN CSCC[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)c1nc2ccccc2[nH]1 ZINC000129944329 654878361 /nfs/dbraw/zinc/87/83/61/654878361.db2.gz GLYMTMFVJDVRTQ-AWEZNQCLSA-N 0 0 383.539 2.687 10 0 GFAERN COCCN1CCN(C(=O)c2cc(Cl)cc(Br)c2)C[C@@H]1C ZINC000131647919 654912341 /nfs/dbraw/zinc/91/23/41/654912341.db2.gz PNUNNTRRMKXUMP-NSHDSACASA-N 0 0 375.694 2.895 10 0 GFAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000066937381 654922558 /nfs/dbraw/zinc/92/25/58/654922558.db2.gz SZKZURNAHLHZPZ-AWEZNQCLSA-N 0 0 383.901 2.923 10 0 GFAERN CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000134343157 654991531 /nfs/dbraw/zinc/99/15/31/654991531.db2.gz DDUAPSNXZDCBGE-OCCSQVGLSA-N 0 0 377.286 2.741 10 0 GFAERN COc1ccc(Br)cc1CC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135382795 655015154 /nfs/dbraw/zinc/01/51/54/655015154.db2.gz DPYWWMGUKSDPJK-LLVKDONJSA-N 0 0 393.285 2.805 10 0 GFAERN C[C@H](O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000136281535 655029285 /nfs/dbraw/zinc/02/92/85/655029285.db2.gz JWLOTJCBQOEXNA-WCQYABFASA-N 0 0 385.291 2.966 10 0 GFAERN C[C@H](OC(=O)CCSc1nnnn1C)c1ccc(Br)cc1F ZINC000156755044 655095651 /nfs/dbraw/zinc/09/56/51/655095651.db2.gz JRCVGPYDFVUXID-QMMMGPOBSA-N 0 0 389.250 2.898 10 0 GFAERN Cc1nc(CN2CCCN(Cc3ccc(Br)cc3F)CC2)no1 ZINC000106149389 655104140 /nfs/dbraw/zinc/10/41/40/655104140.db2.gz CWQTWXZCZZJADW-UHFFFAOYSA-N 0 0 383.265 2.988 10 0 GFAERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CCO2)c1 ZINC000106198387 655104951 /nfs/dbraw/zinc/10/49/51/655104951.db2.gz PQCQTPBBJOHFIA-AWEZNQCLSA-N 0 0 383.279 2.838 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000106784529 655110982 /nfs/dbraw/zinc/11/09/82/655110982.db2.gz JEYQWGNBRHOQLG-GFCCVEGCSA-N 0 0 379.254 2.862 10 0 GFAERN CCS(=O)(=O)CCN(C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000159551718 655115103 /nfs/dbraw/zinc/11/51/03/655115103.db2.gz ONGBZGMHTIJCTD-NSHDSACASA-N 0 0 377.304 2.586 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cs1 ZINC000107319470 655119858 /nfs/dbraw/zinc/11/98/58/655119858.db2.gz JVIJMRMLVMTXSK-MDWZMJQESA-N 0 0 377.535 2.960 10 0 GFAERN CN(C)S(=O)(=O)c1cc(C(=O)Oc2ccc(F)cc2Br)co1 ZINC000160453271 655122212 /nfs/dbraw/zinc/12/22/12/655122212.db2.gz FJXWXKZSLZOXDO-UHFFFAOYSA-N 0 0 392.202 2.651 10 0 GFAERN O=C(Cc1ccc(Br)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000109638092 655149519 /nfs/dbraw/zinc/14/95/19/655149519.db2.gz KQWVTXUTPWYELM-UHFFFAOYSA-N 0 0 375.270 2.885 10 0 GFAERN Cc1cc(Br)ccc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000109656786 655149881 /nfs/dbraw/zinc/14/98/81/655149881.db2.gz WDCWYMFVYVZNQV-UHFFFAOYSA-N 0 0 391.313 2.839 10 0 GFAERN CCOc1ccnc(N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000109652429 655149906 /nfs/dbraw/zinc/14/99/06/655149906.db2.gz AWDVDNHPUALIOW-UHFFFAOYSA-N 0 0 391.269 2.600 10 0 GFAERN CCn1cc(CN2CCCN(C(=O)Cc3sc(=S)[nH]c3C)CC2)cn1 ZINC000109662676 655150155 /nfs/dbraw/zinc/15/01/55/655150155.db2.gz PFUGHESTJQNKOI-UHFFFAOYSA-N 0 0 379.555 2.608 10 0 GFAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111078623 655163931 /nfs/dbraw/zinc/16/39/31/655163931.db2.gz HVCAMINGFNIEFE-JSGCOSHPSA-N 0 0 384.263 2.885 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)C[C@@H]1N1CCOCC1 ZINC000173406390 655170417 /nfs/dbraw/zinc/17/04/17/655170417.db2.gz WRHAUSXOTLAABF-DOMZBBRYSA-N 0 0 393.281 2.988 10 0 GFAERN Cc1cnn(C[C@@H]2CN(Cc3ccc(I)cc3)CCO2)c1 ZINC000173695967 655176487 /nfs/dbraw/zinc/17/64/87/655176487.db2.gz YAXPHSGYQIBSNZ-INIZCTEOSA-N 0 0 397.260 2.697 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3coc(Br)c3)CC2)n1 ZINC000112035971 655181019 /nfs/dbraw/zinc/18/10/19/655181019.db2.gz GESNGAOTFXQMAS-JTQLQIEISA-N 0 0 383.246 2.507 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)n1 ZINC000112036468 655181089 /nfs/dbraw/zinc/18/10/89/655181089.db2.gz UJTOUSNZNBBBHS-SNVBAGLBSA-N 0 0 384.267 2.853 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)CCc3ccccc3Br)CCO2)c1 ZINC000112064966 655181580 /nfs/dbraw/zinc/18/15/80/655181580.db2.gz ZJJCNAYIMGVGKP-MRXNPFEDSA-N 0 0 392.297 2.814 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(F)cc(Br)c3)CCO2)c1 ZINC000112068481 655181768 /nfs/dbraw/zinc/18/17/68/655181768.db2.gz QPIGMQHCOAUNHV-OAHLLOKOSA-N 0 0 382.233 2.634 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1F ZINC000173929563 655186199 /nfs/dbraw/zinc/18/61/99/655186199.db2.gz YXTXCZRZMDTPHH-LBPRGKRZSA-N 0 0 376.425 2.643 10 0 GFAERN O=C(N[C@@H]1CCc2ncnn2C1)C1(c2cccc(Br)c2)CCCC1 ZINC000112655231 655194517 /nfs/dbraw/zinc/19/45/17/655194517.db2.gz MDIKRLPOFGOSAP-OAHLLOKOSA-N 0 0 389.297 2.984 10 0 GFAERN O=C(NCc1ccc(F)cc1Br)N1CCC[C@H](n2cncn2)C1 ZINC000174265603 655196263 /nfs/dbraw/zinc/19/62/63/655196263.db2.gz NAJDSQLCIFSLNJ-ZDUSSCGKSA-N 0 0 382.237 2.726 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Br)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000175013695 655212583 /nfs/dbraw/zinc/21/25/83/655212583.db2.gz NQRITLFHSTZPFQ-SNVBAGLBSA-N 0 0 383.267 2.739 10 0 GFAERN C[C@@H](OC(=O)COc1ccc(I)cc1)[C@@H]1CCOC1 ZINC000175262914 655216840 /nfs/dbraw/zinc/21/68/40/655216840.db2.gz DBSNUBJWUYXJSN-GHMZBOCLSA-N 0 0 376.190 2.638 10 0 GFAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000175355964 655220654 /nfs/dbraw/zinc/22/06/54/655220654.db2.gz LKIBWCUYIWBQRB-BDJLRTHQSA-N 0 0 379.869 2.590 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)Cc3ccc(Br)s3)CC2)nn1 ZINC000114330814 655222091 /nfs/dbraw/zinc/22/20/91/655222091.db2.gz FYVGMRRNDLWRMB-UHFFFAOYSA-N 0 0 395.326 2.890 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCc3ccc(Br)cc31)CC2 ZINC000114975181 655231238 /nfs/dbraw/zinc/23/12/38/655231238.db2.gz KVDMWZBHQFVIMW-ZDUSSCGKSA-N 0 0 390.285 2.690 10 0 GFAERN Cn1cc([C@@H]2CCN(Cn3nnn(-c4ccc(Cl)cc4)c3=S)C2)cn1 ZINC000116257791 655246869 /nfs/dbraw/zinc/24/68/69/655246869.db2.gz OQSZINODLCIJFS-GFCCVEGCSA-N 0 0 375.889 2.632 10 0 GFAERN Cc1nc(Cc2nn(CN3CC[C@H](c4cnn(C)c4)C3)c(=S)o2)cs1 ZINC000116258912 655247136 /nfs/dbraw/zinc/24/71/36/655247136.db2.gz NEDVUMUSPOYFHN-LBPRGKRZSA-N 0 0 376.511 2.742 10 0 GFAERN CC(C)n1nnnc1C[S@](=O)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000176518761 655249114 /nfs/dbraw/zinc/24/91/14/655249114.db2.gz JTQZRNHQAIGBCI-JUTIIYIPSA-N 0 0 380.861 2.967 10 0 GFAERN CCn1ccnc1CS(=O)(=O)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000176907264 655260634 /nfs/dbraw/zinc/26/06/34/655260634.db2.gz BEGGCSDIFGGNGX-CHWSQXEVSA-N 0 0 383.901 2.737 10 0 GFAERN CCOCCN1CCN(C(=O)c2ccc(Br)cc2OC)C[C@@H]1C ZINC000117280582 655262836 /nfs/dbraw/zinc/26/28/36/655262836.db2.gz MJTUVGHTLPWZJA-ZDUSSCGKSA-N 0 0 385.302 2.641 10 0 GFAERN COCCN1CCN(C(=O)c2cc3cc(Br)ccc3o2)C[C@@H]1C ZINC000117296152 655263581 /nfs/dbraw/zinc/26/35/81/655263581.db2.gz BOKLHWVRWNCNBJ-LBPRGKRZSA-N 0 0 381.270 2.988 10 0 GFAERN Cc1cnn(CCNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1 ZINC000118080743 655271572 /nfs/dbraw/zinc/27/15/72/655271572.db2.gz NCQPYSMEBYDSBS-INIZCTEOSA-N 0 0 393.285 2.737 10 0 GFAERN COc1ccc(Br)c(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000118670461 655280516 /nfs/dbraw/zinc/28/05/16/655280516.db2.gz DWZPEIQVWGHLFA-LBPRGKRZSA-N 0 0 391.269 2.647 10 0 GFAERN C[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1c(Cl)ccc(F)c1Cl ZINC000119242467 655294875 /nfs/dbraw/zinc/29/48/75/655294875.db2.gz AIATWAHPJJZFLW-ZCFIWIBFSA-N 0 0 381.212 2.864 10 0 GFAERN CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000120085282 655327202 /nfs/dbraw/zinc/32/72/02/655327202.db2.gz JVFSLDCZZQOTLA-LLVKDONJSA-N 0 0 380.246 2.576 10 0 GFAERN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000182181847 655342735 /nfs/dbraw/zinc/34/27/35/655342735.db2.gz IDTIGIZIPJLHJG-RNCFNFMXSA-N 0 0 380.388 2.918 10 0 GFAERN C[C@H](CCS(C)(=O)=O)OC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000185742961 655366140 /nfs/dbraw/zinc/36/61/40/655366140.db2.gz VIKGTWCQGRQFCG-HONMWMINSA-N 0 0 375.284 2.919 10 0 GFAERN Cc1ccc(Br)nc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000187918050 655377165 /nfs/dbraw/zinc/37/71/65/655377165.db2.gz GSDYWNCCFANIEP-NSHDSACASA-N 0 0 384.274 2.892 10 0 GFAERN CCOC[C@H](C)OC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000190766888 655394604 /nfs/dbraw/zinc/39/46/04/655394604.db2.gz ONRRLQFEIHSAOT-NSHDSACASA-N 0 0 383.242 2.517 10 0 GFAERN C[C@H](CCNC(=O)c1ncc(Br)s1)NC(=O)OC(C)(C)C ZINC000192415854 655405094 /nfs/dbraw/zinc/40/50/94/655405094.db2.gz DWZMQZONRSZGCJ-MRVPVSSYSA-N 0 0 378.292 2.939 10 0 GFAERN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cc3oc(Br)cc3n2C)C1 ZINC000223702164 655422473 /nfs/dbraw/zinc/42/24/73/655422473.db2.gz JVHJZYSYZANKDH-NSHDSACASA-N 0 0 396.285 2.911 10 0 GFAERN O=C1C(=O)N(CN2CC[C@]3(O)CCCC[C@H]3C2)c2ccc(Br)cc21 ZINC000247093904 655431153 /nfs/dbraw/zinc/43/11/53/655431153.db2.gz PONHKBJFSQMIQM-KPZWWZAWSA-N 0 0 393.281 2.563 10 0 GFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cn3cc(Br)cn3)C[C@H]21 ZINC000248627200 655432760 /nfs/dbraw/zinc/43/27/60/655432760.db2.gz OHLKVMWYXMYCKT-IACUBPJLSA-N 0 0 385.306 2.838 10 0 GFAERN O=C1c2cc(Br)ccc2N(CN2CCO[C@H]3CCCC[C@H]32)C1=O ZINC000249710020 655434552 /nfs/dbraw/zinc/43/45/52/655434552.db2.gz UGYGHCSRTDVOKS-CABCVRRESA-N 0 0 379.254 2.579 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(Cl)cc2Br)C1 ZINC000262735665 655446850 /nfs/dbraw/zinc/44/68/50/655446850.db2.gz VJZUUQRWFWWTGU-UHFFFAOYSA-N 0 0 389.677 2.770 10 0 GFAERN COc1ccc(CN2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)cc1Br ZINC000263534933 655452524 /nfs/dbraw/zinc/45/25/24/655452524.db2.gz YQFUATCZCGKKKX-CQSZACIVSA-N 0 0 385.302 2.829 10 0 GFAERN O=C(N[C@@H]1CCCCC[C@H]1O)c1cccc(F)c1I ZINC000579029876 655492077 /nfs/dbraw/zinc/49/20/77/655492077.db2.gz VGGOLGXIRNVWDZ-VXGBXAGGSA-N 0 0 377.197 2.854 10 0 GFAERN Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)/C=C\c2ccccc2Cl)cn1 ZINC000886041123 663102700 /nfs/dbraw/zinc/10/27/00/663102700.db2.gz WRJLHXJBUCDRAH-WHDWIBAWSA-N 0 0 381.885 2.884 10 0 GFAERN O=C(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000888102303 663178329 /nfs/dbraw/zinc/17/83/29/663178329.db2.gz PLYKTBYHXULCCC-BETUJISGSA-N 0 0 383.235 2.811 10 0 GFAERN Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2nnsc2Cl)n1 ZINC000888103459 663178351 /nfs/dbraw/zinc/17/83/51/663178351.db2.gz IRBMEVMTDRQTMF-YHWZYXNKSA-N 0 0 377.901 2.820 10 0 GFAERN NC(=O)/C=C\c1ccc(OCc2cccnc2)c(I)c1 ZINC000409416199 231204689 /nfs/dbraw/zinc/20/46/89/231204689.db2.gz DXVUGDJEPDEOLI-XQRVVYSFSA-N 0 0 380.185 2.764 10 0 GFAERN COc1cc2c(cc1OC)[C@@H]([C@@H]1OC(=O)c3c1ccc1c3OCO1)N(C)CC2 ZINC000014414493 291122054 /nfs/dbraw/zinc/12/20/54/291122054.db2.gz SZDGAZFTAUFFQH-RBUKOAKNSA-N 0 0 383.400 2.873 10 0 biogenic,in-vitro GFAERN C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)c2ccccc2C1=O ZINC000001466673 212247370 /nfs/dbraw/zinc/24/73/70/212247370.db2.gz HKLCXGQUYYXDKR-CQSZACIVSA-N 0 0 397.862 2.673 10 0 GFAERN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)nn1 ZINC000009626603 212196095 /nfs/dbraw/zinc/19/60/95/212196095.db2.gz HXIJOISGSMPNRC-UHFFFAOYSA-N 0 0 397.412 2.528 10 0 GFAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000030762029 212117863 /nfs/dbraw/zinc/11/78/63/212117863.db2.gz PMNQWYUYANZREC-ZIAGYGMSSA-N 0 0 396.417 2.578 10 0 GFAERN O=c1nc2n(Cc3ccc(Cl)cc3)cccc-2c(=O)n1Cc1ccccn1 ZINC000032641874 212108745 /nfs/dbraw/zinc/10/87/45/212108745.db2.gz RCYARHKPYJDUEP-UHFFFAOYSA-N 0 0 378.819 2.655 10 0 GFAERN O=C1COc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2N1 ZINC000009432329 221081830 /nfs/dbraw/zinc/08/18/30/221081830.db2.gz SPTAUFPZHMXGFO-UHFFFAOYSA-N 0 0 386.473 2.661 10 0 GFAERN O=C(NCCCn1ncc2ccccc21)c1cn(Cc2ccc(F)cc2)nn1 ZINC000011662719 221118491 /nfs/dbraw/zinc/11/84/91/221118491.db2.gz XDINLJJBHBVSHS-UHFFFAOYSA-N 0 0 378.411 2.635 10 0 GFAERN CO[C@H](c1ccc2c(c1)CN(C(=O)Cn1cncn1)CCO2)C1CCCCC1 ZINC000012021115 221143696 /nfs/dbraw/zinc/14/36/96/221143696.db2.gz GGNBODSRYQZDHU-NRFANRHFSA-N 0 0 384.480 2.967 10 0 GFAERN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)C1=O ZINC000012024277 221144096 /nfs/dbraw/zinc/14/40/96/221144096.db2.gz LOBNOMVSZVRDCE-XQQFMLRXSA-N 0 0 398.912 2.771 10 0 GFAERN Cn1c2nnc(COc3cccc(Br)c3)n2c2ccccc2c1=O ZINC000012536355 221203922 /nfs/dbraw/zinc/20/39/22/221203922.db2.gz WAQHGMOPEOICLS-UHFFFAOYSA-N 0 0 385.221 2.923 10 0 GFAERN O=C(CCc1cn[nH]c1)N1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000012715314 221220808 /nfs/dbraw/zinc/22/08/08/221220808.db2.gz QIEGUEIQTPIEEQ-HSZRJFAPSA-N 0 0 394.519 2.816 10 0 GFAERN COc1cccc2c1OC[C@H](CNC(=O)c1ccccc1N1CCOCC1)C2 ZINC000095521535 136181161 /nfs/dbraw/zinc/18/11/61/136181161.db2.gz KJQDHMRBKFDSEF-INIZCTEOSA-N 0 0 382.460 2.513 10 0 GFAERN CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Nc1ccc2c(c1)OCO2 ZINC000224144533 136206263 /nfs/dbraw/zinc/20/62/63/136206263.db2.gz QKWADIMRKVFDPL-UHFFFAOYSA-N 0 0 384.440 2.906 10 0 GFAERN CC(C)(C)c1nn(-c2cc(F)ccc2F)c(N)c1NC(=O)N1CCOCC1 ZINC000034784842 221804947 /nfs/dbraw/zinc/80/49/47/221804947.db2.gz PRRMYEKTTCEGLB-UHFFFAOYSA-N 0 0 379.411 2.894 10 0 GFAERN O=Cc1cccn1-c1nnc(N2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000049455313 221998958 /nfs/dbraw/zinc/99/89/58/221998958.db2.gz ZIKIAHNJMWIFDI-UHFFFAOYSA-N 0 0 387.509 2.760 10 0 GFAERN COCCCNC(=O)c1cc(COc2ccc(NC(=O)C(C)C)cc2)on1 ZINC000065027171 222095338 /nfs/dbraw/zinc/09/53/38/222095338.db2.gz BTCUSZDMWFZSKL-UHFFFAOYSA-N 0 0 375.425 2.614 10 0 GFAERN CC(C)c1nc(C2=CCN(CC(=O)NCc3cc(F)cc(F)c3)CC2)no1 ZINC000064756889 222080254 /nfs/dbraw/zinc/08/02/54/222080254.db2.gz OGLJRHMZBOQZEE-UHFFFAOYSA-N 0 0 376.407 2.877 10 0 GFAERN O=C(CSc1ccc(-n2nccc2-c2ccccc2)nn1)NC[C@H]1CCCO1 ZINC000064755315 222080336 /nfs/dbraw/zinc/08/03/36/222080336.db2.gz MVULKOSBFSEVPT-MRXNPFEDSA-N 0 0 395.488 2.717 10 0 GFAERN COCCN=C1Nc2ccccc2CN[C@@]12CCN(C(=O)c1ccccc1C)C2 ZINC000065265819 222119276 /nfs/dbraw/zinc/11/92/76/222119276.db2.gz RGKDIWVUPRSVTM-HSZRJFAPSA-N 0 0 392.503 2.649 10 0 GFAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1cc(Cl)ncn1 ZINC000095086705 222330937 /nfs/dbraw/zinc/33/09/37/222330937.db2.gz JDGLBOMNHOVTAI-NSHDSACASA-N 0 0 375.878 2.693 10 0 GFAERN CCOCn1cc(-c2ccnc(N)n2)c2c1nc(Br)cc2OC ZINC000095937802 222361304 /nfs/dbraw/zinc/36/13/04/222361304.db2.gz YXZQIBFKAPVOEK-UHFFFAOYSA-N 0 0 378.230 2.841 10 0 GFAERN C[C@@H]1CCO[C@@H]1C(=O)NC[C@]1(C)C[C@H](NC(=O)[C@H]2OCC[C@H]2C)CC(C)(C)C1 ZINC000095979661 222367407 /nfs/dbraw/zinc/36/74/07/222367407.db2.gz PQHRHACFUFRSPA-ZPDCCAPASA-N 0 0 394.556 2.654 10 0 GFAERN O=S(=O)(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)c1ccc(F)cc1 ZINC000096112866 222381829 /nfs/dbraw/zinc/38/18/29/222381829.db2.gz GLLDCQZOWLINOZ-INIZCTEOSA-N 0 0 387.436 2.567 10 0 GFAERN C[C@H]1CN(c2ccc3c(=O)c(C(=O)[O-])cn(-c4ccc(F)cc4F)c3c2)CC[NH2+]1 ZINC000503916034 533978846 /nfs/dbraw/zinc/97/88/46/533978846.db2.gz FZIBXLZWSGLCHY-LBPRGKRZSA-N 0 0 399.397 2.765 10 0 GFAERN C[C@@H](NC(=O)NCCNC(=O)c1ccco1)c1ccccc1Br ZINC000045663258 551147198 /nfs/dbraw/zinc/14/71/98/551147198.db2.gz DKUXSQSGOSJQIE-LLVKDONJSA-N 0 0 380.242 2.832 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC000048780629 551157398 /nfs/dbraw/zinc/15/73/98/551157398.db2.gz SRJIPSXFKCEMAD-NSHDSACASA-N 0 0 380.853 2.559 10 0 GFAERN CCOCCCNC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC000054820041 551170715 /nfs/dbraw/zinc/17/07/15/551170715.db2.gz VDBJCLWRUVXJHJ-CQSZACIVSA-N 0 0 387.274 2.779 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000106647228 551201067 /nfs/dbraw/zinc/20/10/67/551201067.db2.gz PWCOCKMLEGODIF-GFCCVEGCSA-N 0 0 392.253 2.660 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2Cl)C1 ZINC000112266674 551205629 /nfs/dbraw/zinc/20/56/29/551205629.db2.gz NIJFSMAACJOYJB-LBPRGKRZSA-N 0 0 384.889 2.528 10 0 GFAERN Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)c2ccc(Br)cc2n1 ZINC000112648772 551206569 /nfs/dbraw/zinc/20/65/69/551206569.db2.gz BPMJWROVSUNZNE-LBPRGKRZSA-N 0 0 386.253 2.642 10 0 GFAERN Cn1cc([C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)CCC(=O)N2C)cn1 ZINC000115201653 551209610 /nfs/dbraw/zinc/20/96/10/551209610.db2.gz WYMBCZGSAHNCSG-HOCLYGCPSA-N 0 0 391.269 2.731 10 0 GFAERN C[C@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000120406826 551221183 /nfs/dbraw/zinc/22/11/83/551221183.db2.gz OOABZSIIRUHSPN-GMXVVIOVSA-N 0 0 377.268 2.600 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000121318350 551231583 /nfs/dbraw/zinc/23/15/83/551231583.db2.gz PZQHUVAXUJSDNN-ZFWWWQNUSA-N 0 0 383.279 2.873 10 0 GFAERN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2n1CCCC2 ZINC000121763992 551241801 /nfs/dbraw/zinc/24/18/01/551241801.db2.gz UNSMWAQDCJKZQL-VIFPVBQESA-N 0 0 375.281 2.961 10 0 GFAERN O=C(CCc1cc(Br)cs1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127226431 551338345 /nfs/dbraw/zinc/33/83/45/551338345.db2.gz CLPBBQRGRWBSDB-GFCCVEGCSA-N 0 0 383.315 2.974 10 0 GFAERN C[C@@H](NC(=O)NCCN1CCCS1(=O)=O)c1c(Cl)ccc(F)c1Cl ZINC000127670761 551343138 /nfs/dbraw/zinc/34/31/38/551343138.db2.gz WFTPTKQWMSHPOO-SECBINFHSA-N 0 0 398.287 2.528 10 0 GFAERN C[C@H](CNC(=O)Nc1nnc(-c2cccc(Cl)c2)s1)N1CCOCC1 ZINC000129599889 551358377 /nfs/dbraw/zinc/35/83/77/551358377.db2.gz FXHOGZKDYXMMQW-LLVKDONJSA-N 0 0 381.889 2.701 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1 ZINC000129683590 551358769 /nfs/dbraw/zinc/35/87/69/551358769.db2.gz UYOGTFGYMFEWQN-ZDUSSCGKSA-N 0 0 379.873 2.991 10 0 GFAERN C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1Cl ZINC000132778634 551378948 /nfs/dbraw/zinc/37/89/48/551378948.db2.gz RSSKEKONKKNFQQ-JTQLQIEISA-N 0 0 385.848 2.687 10 0 GFAERN Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000133441231 551382999 /nfs/dbraw/zinc/38/29/99/551382999.db2.gz WEIQIIGHRHAFFT-LLVKDONJSA-N 0 0 399.314 2.725 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(I)cc1 ZINC000151230791 551409407 /nfs/dbraw/zinc/40/94/07/551409407.db2.gz QDHTWHYTBDCKMO-LBPRGKRZSA-N 0 0 396.232 2.710 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1I ZINC000151286504 551410972 /nfs/dbraw/zinc/41/09/72/551410972.db2.gz LPPWTHWHPIABJQ-GFCCVEGCSA-N 0 0 396.232 2.710 10 0 GFAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000154649273 551480053 /nfs/dbraw/zinc/48/00/53/551480053.db2.gz NBNYPABLCVWIKK-CVEARBPZSA-N 0 0 376.254 2.524 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000154981979 551487662 /nfs/dbraw/zinc/48/76/62/551487662.db2.gz TTZISMDJBCRNLY-ZDUSSCGKSA-N 0 0 385.251 2.761 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1c(F)cccc1Br ZINC000155344503 551497886 /nfs/dbraw/zinc/49/78/86/551497886.db2.gz ZWHMAGUIZCDZSI-LLVKDONJSA-N 0 0 383.221 2.591 10 0 GFAERN O=C(Cc1csc(NC(=O)c2cccs2)n1)NC[C@H]1CCCC[C@H]1O ZINC000155466458 551500501 /nfs/dbraw/zinc/50/05/01/551500501.db2.gz FANDOPBXGJNIDI-DGCLKSJQSA-N 0 0 379.507 2.667 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000155482530 551500776 /nfs/dbraw/zinc/50/07/76/551500776.db2.gz YSSZZPMXWTXGMY-CQSZACIVSA-N 0 0 394.313 2.791 10 0 GFAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(Br)c(Cl)c1 ZINC000155739436 551506909 /nfs/dbraw/zinc/50/69/09/551506909.db2.gz ONTQVMLTEDFJAT-LLVKDONJSA-N 0 0 391.678 2.507 10 0 GFAERN COc1ccc(C(=O)N2[C@H](C)COC[C@H]2C)cc1I ZINC000156133912 551515261 /nfs/dbraw/zinc/51/52/61/551515261.db2.gz UQSQKNVVOCKANW-NXEZZACHSA-N 0 0 375.206 2.549 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(F)c(I)c1 ZINC000156153044 551515845 /nfs/dbraw/zinc/51/58/45/551515845.db2.gz PEOAWRDBIVPERT-GWCFXTLKSA-N 0 0 377.197 2.711 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000157060804 551532792 /nfs/dbraw/zinc/53/27/92/551532792.db2.gz YTUPAWTVPCIACR-GFCCVEGCSA-N 0 0 375.281 2.961 10 0 GFAERN COc1cccc(COCCNc2ncnc3c2c(Br)nn3C)c1 ZINC000157890869 551544473 /nfs/dbraw/zinc/54/44/73/551544473.db2.gz BKHLRSZBWZRZPQ-UHFFFAOYSA-N 0 0 392.257 2.763 10 0 GFAERN O=S(=O)(c1ccc(F)c(F)c1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158569562 551553757 /nfs/dbraw/zinc/55/37/57/551553757.db2.gz HDZBZWNBMZJAQE-MGPLVRAMSA-N 0 0 375.343 2.740 10 0 GFAERN COc1cc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)sc1S(N)(=O)=O ZINC000162643696 551610931 /nfs/dbraw/zinc/61/09/31/551610931.db2.gz LKVPUBMPDNWPMF-GXFFZTMASA-N 0 0 380.491 2.773 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000170823429 551641024 /nfs/dbraw/zinc/64/10/24/551641024.db2.gz KDDZBKSVKTWUDN-MUWHJKNJSA-N 0 0 376.048 2.675 10 0 GFAERN CCC[C@H](NC(=O)N1CCS[C@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000171439551 551655568 /nfs/dbraw/zinc/65/55/68/551655568.db2.gz IIKCJYUKSASTKM-HIFRSBDPSA-N 0 0 381.567 2.948 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@@H]1C ZINC000172217534 551673661 /nfs/dbraw/zinc/67/36/61/551673661.db2.gz DBSDXHFOVAHBLM-LBPRGKRZSA-N 0 0 382.555 2.607 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(Br)cn2CC)C[C@@H]1CC ZINC000172296956 551675538 /nfs/dbraw/zinc/67/55/38/551675538.db2.gz JRGPMEZEPXGHDX-HNNXBMFYSA-N 0 0 386.334 2.843 10 0 GFAERN O=C(c1cncc(Br)c1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172389997 551678641 /nfs/dbraw/zinc/67/86/41/551678641.db2.gz FCFNXUVVAOEDHH-UHFFFAOYSA-N 0 0 387.237 2.948 10 0 GFAERN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172749380 551686573 /nfs/dbraw/zinc/68/65/73/551686573.db2.gz PJYHGXXSTTXSRD-AEFFLSMTSA-N 0 0 395.341 2.951 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)CSCc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173093144 551695551 /nfs/dbraw/zinc/69/55/51/551695551.db2.gz RGASMIIWBFTSGK-CQSZACIVSA-N 0 0 380.901 2.854 10 0 GFAERN C[C@H](C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)c1ccc(Br)s1 ZINC000173398223 552084932 /nfs/dbraw/zinc/08/49/32/552084932.db2.gz WYUKXIFKPQZHCX-FRRDWIJNSA-N 0 0 387.343 2.793 10 0 GFAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000173835425 552093220 /nfs/dbraw/zinc/09/32/20/552093220.db2.gz HHSWVUVQMAVIIP-GFCCVEGCSA-N 0 0 375.372 2.635 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000173839849 552093762 /nfs/dbraw/zinc/09/37/62/552093762.db2.gz NLOFXGGHCUEOGK-LLVKDONJSA-N 0 0 390.328 2.869 10 0 GFAERN C[C@H]1CN(C(=O)c2ccc(Br)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000173850674 552094360 /nfs/dbraw/zinc/09/43/60/552094360.db2.gz ATFQFFYNEHFXLV-NHYWBVRUSA-N 0 0 387.705 2.895 10 0 GFAERN O=C(NCCc1ccc(F)c(Br)c1)N1CCC[C@H](n2cncn2)C1 ZINC000174183259 552101904 /nfs/dbraw/zinc/10/19/04/552101904.db2.gz UBTOQKUXTSRUDU-ZDUSSCGKSA-N 0 0 396.264 2.769 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cc(F)ccc1Br ZINC000175701272 552127386 /nfs/dbraw/zinc/12/73/86/552127386.db2.gz OTQCERMPTVALMJ-CYBMUJFWSA-N 0 0 382.237 2.822 10 0 GFAERN CCn1cc(CN2CCCN(C(=O)c3occc3Br)CC2)cn1 ZINC000176011588 552134232 /nfs/dbraw/zinc/13/42/32/552134232.db2.gz PRZRHOCNSFDISL-UHFFFAOYSA-N 0 0 381.274 2.607 10 0 GFAERN CSc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1Cl ZINC000176019552 552134299 /nfs/dbraw/zinc/13/42/99/552134299.db2.gz UODTXYYDSNVGCE-GFCCVEGCSA-N 0 0 379.873 2.552 10 0 GFAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H]1CSCCS1 ZINC000176656548 552143596 /nfs/dbraw/zinc/14/35/96/552143596.db2.gz IANACYMULPEHKW-XHDPSFHLSA-N 0 0 388.505 2.684 10 0 GFAERN Cc1cc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1Br ZINC000177691475 552157168 /nfs/dbraw/zinc/15/71/68/552157168.db2.gz YTDYBXDGNBIMMR-CZUORRHYSA-N 0 0 382.302 2.942 10 0 GFAERN Cc1c(Br)cccc1NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177824492 552159476 /nfs/dbraw/zinc/15/94/76/552159476.db2.gz QHERHKDUGOZTAT-WBMJQRKESA-N 0 0 382.302 2.942 10 0 GFAERN CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2CO)nnc1-c1cccs1 ZINC000179226320 552187867 /nfs/dbraw/zinc/18/78/67/552187867.db2.gz JIHJFXIRQMTSBV-QWHCGFSZSA-N 0 0 380.539 2.786 10 0 GFAERN O=C(NCCOCc1ccc(Cl)cc1Cl)N[C@H]1CCCn2ncnc21 ZINC000179638284 552198411 /nfs/dbraw/zinc/19/84/11/552198411.db2.gz BTKOGCZHXCNPOI-AWEZNQCLSA-N 0 0 384.267 2.936 10 0 GFAERN Cc1nc(S(=O)(=O)N2CCOc3ccc(F)cc32)sc1Br ZINC000180107793 552213309 /nfs/dbraw/zinc/21/33/09/552213309.db2.gz ASUFYBJGMFVRSJ-UHFFFAOYSA-N 0 0 393.259 2.941 10 0 GFAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000180235551 552218743 /nfs/dbraw/zinc/21/87/43/552218743.db2.gz FQPUWFLTVNBUPZ-ZYHUDNBSSA-N 0 0 394.324 2.778 10 0 GFAERN CC[C@@H](CSC)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000180579748 552230069 /nfs/dbraw/zinc/23/00/69/552230069.db2.gz ASVZXLGRFBPEEX-BLLLJJGKSA-N 0 0 377.535 2.941 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](C)C2 ZINC000181257393 552252031 /nfs/dbraw/zinc/25/20/31/552252031.db2.gz RJUXQQFQIMINQG-APPDUMDISA-N 0 0 378.881 2.959 10 0 GFAERN COC(=O)C1CCN(C(=O)[C@H](C)N[C@H](C)c2ccccc2Br)CC1 ZINC000181566885 552261279 /nfs/dbraw/zinc/26/12/79/552261279.db2.gz SQRATSFXSZPQRK-OLZOCXBDSA-N 0 0 397.313 2.900 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2Cl)n1C ZINC000182393234 552283412 /nfs/dbraw/zinc/28/34/12/552283412.db2.gz KGDZGJJPAWZYLY-NSHDSACASA-N 0 0 384.889 2.534 10 0 GFAERN CC(C)(Cc1ccc(Br)cc1)NC(=O)NCC(=O)NCC1CC1 ZINC000182665151 552289996 /nfs/dbraw/zinc/28/99/96/552289996.db2.gz IPESSHXIGSWZNN-UHFFFAOYSA-N 0 0 382.302 2.596 10 0 GFAERN O=C(c1cccc(Br)c1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000183764038 552318761 /nfs/dbraw/zinc/31/87/61/552318761.db2.gz PLSCPAZLOFSYOO-LLVKDONJSA-N 0 0 384.661 2.840 10 0 GFAERN Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC[C@H](C)O3)C2=O)ccc1Br ZINC000184631048 552340465 /nfs/dbraw/zinc/34/04/65/552340465.db2.gz WBEZIYHAAZNWRM-TUKIKUTGSA-N 0 0 381.270 2.547 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3c(C)cccc3F)CC2)cs1 ZINC000184739836 552343643 /nfs/dbraw/zinc/34/36/43/552343643.db2.gz GPVRNYZEOOIVAD-UHFFFAOYSA-N 0 0 383.514 2.796 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)nc2Cl)C12CCOCC2 ZINC000185148629 552355503 /nfs/dbraw/zinc/35/55/03/552355503.db2.gz CKVFLYASBIQQEA-NEPJUHHUSA-N 0 0 395.308 2.641 10 0 GFAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000185151706 552355988 /nfs/dbraw/zinc/35/59/88/552355988.db2.gz ITTDSNNFEHXGQH-NXEZZACHSA-N 0 0 393.292 2.549 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1csc(Br)c1C ZINC000185717362 552369732 /nfs/dbraw/zinc/36/97/32/552369732.db2.gz FTFQMMMFGWEOSW-SNVBAGLBSA-N 0 0 385.287 2.822 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000186657182 552394351 /nfs/dbraw/zinc/39/43/51/552394351.db2.gz DBQHDIWTFGVGCX-GFCCVEGCSA-N 0 0 387.249 2.599 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000186680116 552394714 /nfs/dbraw/zinc/39/47/14/552394714.db2.gz HALHJIKRUMJBJZ-UHFFFAOYSA-N 0 0 388.295 2.803 10 0 GFAERN CC(C)(C)c1nnc(NC(=O)C(=O)N2CCCC[C@@H]2c2nccs2)s1 ZINC000188118490 552435444 /nfs/dbraw/zinc/43/54/44/552435444.db2.gz UTVNSGQMGAIKMJ-SNVBAGLBSA-N 0 0 379.511 2.984 10 0 GFAERN Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)cc1Br ZINC000188117800 552435624 /nfs/dbraw/zinc/43/56/24/552435624.db2.gz UAXIAXWTZXGLDK-GXTWGEPZSA-N 0 0 383.286 2.672 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)c2cc(Br)c(C)[nH]c2=O)C12CCOCC2 ZINC000188268002 552440699 /nfs/dbraw/zinc/44/06/99/552440699.db2.gz WKZBXVZOBZGLLB-UONOGXRCSA-N 0 0 399.285 2.562 10 0 GFAERN O=C(Nc1cccc(Br)n1)N1CCC(Nc2cccnn2)CC1 ZINC000188478264 552446264 /nfs/dbraw/zinc/44/62/64/552446264.db2.gz BCFFXFSCRTXRSN-UHFFFAOYSA-N 0 0 377.246 2.743 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3cccc(Br)n3)CCO2)n1 ZINC000188621475 552450258 /nfs/dbraw/zinc/45/02/58/552450258.db2.gz ACZSIHSJLVYQNT-ZDUSSCGKSA-N 0 0 394.273 2.590 10 0 GFAERN C[C@H](NC(=O)c1ncc(Br)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000188901470 552458025 /nfs/dbraw/zinc/45/80/25/552458025.db2.gz WISDMQMMLMQQQV-QMMMGPOBSA-N 0 0 389.296 2.800 10 0 GFAERN C[C@@H](NC(=O)NCc1ccc(Cl)cc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000189444919 552471877 /nfs/dbraw/zinc/47/18/77/552471877.db2.gz PETGQYVSLSJWHY-SNVBAGLBSA-N 0 0 385.848 2.687 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)cnc1Br ZINC000190160196 552489157 /nfs/dbraw/zinc/48/91/57/552489157.db2.gz LYSTVDKBUHOCKW-ZDUSSCGKSA-N 0 0 392.257 2.568 10 0 GFAERN CC(=O)NC1CN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C1 ZINC000190447151 552496515 /nfs/dbraw/zinc/49/65/15/552496515.db2.gz CIMXIJPJFIJUCT-UHFFFAOYSA-N 0 0 384.219 2.521 10 0 GFAERN COCCN1CCN(C(=O)NCc2cccc(C)c2Br)C[C@H]1C ZINC000190494117 552498807 /nfs/dbraw/zinc/49/88/07/552498807.db2.gz BJILLDYRQCSKFR-CQSZACIVSA-N 0 0 384.318 2.620 10 0 GFAERN CCOC(=O)[C@H](C)N(C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000190850939 552511006 /nfs/dbraw/zinc/51/10/06/552511006.db2.gz VFXZEWHYSFJGNC-WFASDCNBSA-N 0 0 386.286 2.605 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)NCC(C)(C)c1ccccc1Br ZINC000191505309 552530240 /nfs/dbraw/zinc/53/02/40/552530240.db2.gz MTSOQQWHAIGHFR-LBPRGKRZSA-N 0 0 382.302 2.647 10 0 GFAERN O=C(Cc1ccc(I)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000192061600 552548301 /nfs/dbraw/zinc/54/83/01/552548301.db2.gz OVOVEFWSAQSBEL-YOEHRIQHSA-N 0 0 399.272 2.987 10 0 GFAERN CC(C)Sc1cccc(Cl)c1CNc1cnn(CC(=O)NCCO)c1 ZINC000192702232 552971809 /nfs/dbraw/zinc/97/18/09/552971809.db2.gz YQTIFWBNEFWSPO-UHFFFAOYSA-N 0 0 382.917 2.758 10 0 GFAERN CCN(C(=O)N[C@H](C)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000193334859 552990614 /nfs/dbraw/zinc/99/06/14/552990614.db2.gz GVSVQTNCYQBCJO-RISCZKNCSA-N 0 0 389.315 2.729 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1Br ZINC000193387993 552991616 /nfs/dbraw/zinc/99/16/16/552991616.db2.gz LIXWDEVQAYRLTC-NSHDSACASA-N 0 0 384.274 2.973 10 0 GFAERN COc1ccc(S(=O)(=O)N[C@@H]2COc3ccccc32)cc1Br ZINC000194624265 553025659 /nfs/dbraw/zinc/02/56/59/553025659.db2.gz VAMSBDGJIKIHRE-CYBMUJFWSA-N 0 0 384.251 2.870 10 0 GFAERN CCn1c(C)nnc1CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000195027650 553036096 /nfs/dbraw/zinc/03/60/96/553036096.db2.gz YQNOPZPVRTUYIN-UHFFFAOYSA-N 0 0 384.347 2.748 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000245953428 553099509 /nfs/dbraw/zinc/09/95/09/553099509.db2.gz PYVOXDRSOJZWEF-HZPDHXFCSA-N 0 0 377.286 2.645 10 0 GFAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000245946290 553099843 /nfs/dbraw/zinc/09/98/43/553099843.db2.gz RWNVIQUHJMKRIK-CZUORRHYSA-N 0 0 378.270 2.886 10 0 GFAERN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246464204 553107662 /nfs/dbraw/zinc/10/76/62/553107662.db2.gz NPODOVBSXMNSEQ-XNJGSVPQSA-N 0 0 386.323 2.973 10 0 GFAERN CCOCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000247014511 553117160 /nfs/dbraw/zinc/11/71/60/553117160.db2.gz HHXHMHDTUPSTML-GFCCVEGCSA-N 0 0 381.325 2.725 10 0 GFAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000247252317 553119901 /nfs/dbraw/zinc/11/99/01/553119901.db2.gz NOWRLNNXPALIQY-TUAOUCFPSA-N 0 0 391.331 2.973 10 0 GFAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000249405038 553142922 /nfs/dbraw/zinc/14/29/22/553142922.db2.gz XAMNUHSJXYSTOE-CQSZACIVSA-N 0 0 387.571 2.791 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000249773337 553146073 /nfs/dbraw/zinc/14/60/73/553146073.db2.gz UWIYCCVHMKWLRD-FZZIBODNSA-N 0 0 377.384 2.599 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2ccc(F)c(Br)c2)C1 ZINC000262750629 553175341 /nfs/dbraw/zinc/17/53/41/553175341.db2.gz XZQCWAAZQDOBEH-UHFFFAOYSA-N 0 0 399.260 2.646 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Nc2ccccc2Br)C1 ZINC000263477862 553188481 /nfs/dbraw/zinc/18/84/81/553188481.db2.gz JUYDISHBPIAIBK-UHFFFAOYSA-N 0 0 396.285 2.898 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(CCOc2ccccc2Br)CC1 ZINC000263581163 553189446 /nfs/dbraw/zinc/18/94/46/553189446.db2.gz WVARCZVPKLUNER-AWEZNQCLSA-N 0 0 385.302 2.699 10 0 GFAERN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000278684005 563266382 /nfs/dbraw/zinc/26/63/82/563266382.db2.gz DMUQLQOLBCEOCM-ZDUSSCGKSA-N 0 0 388.917 2.664 10 0 GFAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000373057488 563327046 /nfs/dbraw/zinc/32/70/46/563327046.db2.gz KNYKFOAWCSKVNK-VXGBXAGGSA-N 0 0 380.436 2.727 10 0 GFAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cc(Br)cc(Br)c1 ZINC000281728880 563385913 /nfs/dbraw/zinc/38/59/13/563385913.db2.gz GUJHJZZDHVCTES-RDDDGLTNSA-N 0 0 390.075 2.609 10 0 GFAERN CNc1nc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncc1Br ZINC000302562798 563426801 /nfs/dbraw/zinc/42/68/01/563426801.db2.gz UXBPKJUCWXQVLY-SNVBAGLBSA-N 0 0 386.294 2.726 10 0 GFAERN CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)c1ccc(Br)s1 ZINC000328644961 563462281 /nfs/dbraw/zinc/46/22/81/563462281.db2.gz ZNRPEWJIBWZCHU-JTQLQIEISA-N 0 0 390.328 2.590 10 0 GFAERN Cc1cccc(C(=O)N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1I ZINC000398682424 563532834 /nfs/dbraw/zinc/53/28/34/563532834.db2.gz KUFNANJDARLALL-YNEHKIRRSA-N 0 0 385.245 2.833 10 0 GFAERN O=C1CC[C@H](Nc2ccnc3cc(Br)cnc32)[C@@H]([C@H]2CCCO2)N1 ZINC000367758859 563854233 /nfs/dbraw/zinc/85/42/33/563854233.db2.gz RRMYXHXGBMDNOW-KHIZAZIESA-N 0 0 391.269 2.630 10 0 GFAERN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186625412 570306329 /nfs/dbraw/zinc/30/63/29/570306329.db2.gz ICRQGULBDPEYIG-HNNXBMFYSA-N 0 0 376.497 2.759 10 0 GFAERN O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1 ZINC000035508146 570379576 /nfs/dbraw/zinc/37/95/76/570379576.db2.gz ZFINIIYXUHLAST-INIZCTEOSA-N 0 0 381.480 2.773 10 0 GFAERN O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccc(C(F)(F)F)cc1 ZINC000224156775 570424722 /nfs/dbraw/zinc/42/47/22/570424722.db2.gz TUGPEGVAQPLJNK-UHFFFAOYSA-N 0 0 386.399 2.574 10 0 GFAERN O=C(NCc1ccccc1)c1snc2c1ncn(Cc1ccccc1)c2=O ZINC000033129883 570820360 /nfs/dbraw/zinc/82/03/60/570820360.db2.gz JWLIXLZTFBBHAB-UHFFFAOYSA-N 0 0 376.441 2.831 10 0 GFAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000024225132 654542682 /nfs/dbraw/zinc/54/26/82/654542682.db2.gz GQFYNJNJJYYGPN-RKDXNWHRSA-N 0 0 398.706 2.909 10 0 GFAERN Cc1cc(N2C[C@H](C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2=O)ccc1Br ZINC000027910036 654566490 /nfs/dbraw/zinc/56/64/90/654566490.db2.gz CACWWDIDCJVWSE-ZENOOKHLSA-N 0 0 395.297 2.794 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000041184756 654623688 /nfs/dbraw/zinc/62/36/88/654623688.db2.gz BRRARXYCJDKNKK-LLVKDONJSA-N 0 0 380.853 2.559 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(Br)c(F)c1 ZINC000125943779 654805646 /nfs/dbraw/zinc/80/56/46/654805646.db2.gz XOOAQSGHUALRNR-ZDUSSCGKSA-N 0 0 397.248 2.520 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2ccc(Br)c(C)n2)C[C@H]1C ZINC000128640735 654849599 /nfs/dbraw/zinc/84/95/99/654849599.db2.gz CRZZOKQUYTUNNB-GFCCVEGCSA-N 0 0 385.306 2.727 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000131788927 654918590 /nfs/dbraw/zinc/91/85/90/654918590.db2.gz SMVVTWFTXFHLLY-CHWSQXEVSA-N 0 0 377.268 2.914 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(Br)cnc1Cl)CC2 ZINC000133987270 654979566 /nfs/dbraw/zinc/97/95/66/654979566.db2.gz FPVGHIOXJRDPRD-JTQLQIEISA-N 0 0 398.692 2.957 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)c1ccc(Cl)s1 ZINC000071017404 654998489 /nfs/dbraw/zinc/99/84/89/654998489.db2.gz HCFYSYMBTJSDGL-JTQLQIEISA-N 0 0 375.841 2.798 10 0 GFAERN C[C@H](NC(=O)CNS(=O)(=O)c1cccs1)c1ccc(F)cc1Cl ZINC000136788281 655035331 /nfs/dbraw/zinc/03/53/31/655035331.db2.gz UDCCVUQPDLOQFH-VIFPVBQESA-N 0 0 376.862 2.696 10 0 GFAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000136803985 655035518 /nfs/dbraw/zinc/03/55/18/655035518.db2.gz JGJAGFHYUDARKE-QMMMGPOBSA-N 0 0 376.862 2.987 10 0 GFAERN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000101528801 655042614 /nfs/dbraw/zinc/04/26/14/655042614.db2.gz AJOYJDCMXNYAOU-VIFPVBQESA-N 0 0 394.225 2.758 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000102102353 655051040 /nfs/dbraw/zinc/05/10/40/655051040.db2.gz BSZPYCXWOVNYNU-NSHDSACASA-N 0 0 386.279 2.839 10 0 GFAERN C[C@H](OC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CCOCC1 ZINC000151562473 655052384 /nfs/dbraw/zinc/05/23/84/655052384.db2.gz AQUGGHOQCFLHEN-NSHDSACASA-N 0 0 395.253 2.517 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1cc(F)ccc1Br ZINC000155322434 655083691 /nfs/dbraw/zinc/08/36/91/655083691.db2.gz YFKUNGVRNHOGTG-LBPRGKRZSA-N 0 0 394.262 2.698 10 0 GFAERN C[C@@H](OC(=O)CCNS(=O)(=O)c1cccs1)c1nc2ccccc2[nH]1 ZINC000156918919 655096882 /nfs/dbraw/zinc/09/68/82/655096882.db2.gz BEQIORYYLMJCRH-LLVKDONJSA-N 0 0 379.463 2.597 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000106368036 655107609 /nfs/dbraw/zinc/10/76/09/655107609.db2.gz VLMAETIYYNNPOI-LBPRGKRZSA-N 0 0 399.314 2.629 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000170807588 655146365 /nfs/dbraw/zinc/14/63/65/655146365.db2.gz BGVRWNVKBKGHPD-LRDDRELGSA-N 0 0 378.881 2.957 10 0 GFAERN CCOc1ccnc(N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000109652452 655149819 /nfs/dbraw/zinc/14/98/19/655149819.db2.gz ZVACAICJIFKDLF-UHFFFAOYSA-N 0 0 391.269 2.600 10 0 GFAERN CCOc1ccnc(N2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)n1 ZINC000109654017 655149926 /nfs/dbraw/zinc/14/99/26/655149926.db2.gz KXNLCEJQAJUPIL-UHFFFAOYSA-N 0 0 382.251 2.540 10 0 GFAERN CC(=O)N(c1nn(CN2CCC[C@@H]2c2cnn(C)c2)c(=S)s1)C1CC1 ZINC000171360564 655151228 /nfs/dbraw/zinc/15/12/28/655151228.db2.gz WIISCPUIGZEGSO-CQSZACIVSA-N 0 0 378.527 2.717 10 0 GFAERN CSCc1nn(CN2CCN(c3nc4ccccc4o3)CC2)c(=S)o1 ZINC000172497917 655158369 /nfs/dbraw/zinc/15/83/69/655158369.db2.gz ICNHIGUGLNTXCC-UHFFFAOYSA-N 0 0 377.495 2.989 10 0 GFAERN S=c1oc(-c2ccc(Cl)s2)nn1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172962473 655161559 /nfs/dbraw/zinc/16/15/59/655161559.db2.gz DIOLJIYWVOJTCJ-LLVKDONJSA-N 0 0 386.930 2.951 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(Br)c(F)c3)CCO2)n1 ZINC000110906023 655161647 /nfs/dbraw/zinc/16/16/47/655161647.db2.gz SETRDKGMMPBHHK-CQSZACIVSA-N 0 0 396.260 2.943 10 0 GFAERN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCO[C@@H](c2nccs2)C1 ZINC000111343978 655169439 /nfs/dbraw/zinc/16/94/39/655169439.db2.gz HIHRTIUXDXHPJO-LLVKDONJSA-N 0 0 394.396 2.804 10 0 GFAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000173721014 655177492 /nfs/dbraw/zinc/17/74/92/655177492.db2.gz DFVUDHGAYHLVAF-AWEZNQCLSA-N 0 0 379.507 2.978 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)n1 ZINC000112037185 655181005 /nfs/dbraw/zinc/18/10/05/655181005.db2.gz STAKLWBEJVUBJJ-SNVBAGLBSA-N 0 0 386.283 2.796 10 0 GFAERN CCOc1ccnc(N2CCN(Cn3nc(C4CC4)sc3=S)CC2)n1 ZINC000173896922 655184192 /nfs/dbraw/zinc/18/41/92/655184192.db2.gz ZBTDBDWFMCBVAD-UHFFFAOYSA-N 0 0 378.527 2.520 10 0 GFAERN CC(C)(C)OC(=O)NC[C@H]1CCCN1S(=O)(=O)c1c(F)cccc1F ZINC000173929009 655186253 /nfs/dbraw/zinc/18/62/53/655186253.db2.gz XOOGAVLMCKJUSA-LLVKDONJSA-N 0 0 376.425 2.643 10 0 GFAERN O=C(CN1CCO[C@@H](c2nccs2)C1)Nc1nc2ccc(F)cc2s1 ZINC000112340746 655188976 /nfs/dbraw/zinc/18/89/76/655188976.db2.gz MDODQHZZYVBXAQ-GFCCVEGCSA-N 0 0 378.454 2.904 10 0 GFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccc(Cl)s2)ncn1 ZINC000174002108 655189671 /nfs/dbraw/zinc/18/96/71/655189671.db2.gz BCFARELYGPZCNG-LLVKDONJSA-N 0 0 380.905 2.701 10 0 GFAERN C[C@@H](OC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1cccnc1 ZINC000113684425 655213626 /nfs/dbraw/zinc/21/36/26/655213626.db2.gz BOHMGCMBPFOYPK-CYBMUJFWSA-N 0 0 380.491 2.775 10 0 GFAERN C[C@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000175634206 655224587 /nfs/dbraw/zinc/22/45/87/655224587.db2.gz JEIYJWDHEISKHT-YOEHRIQHSA-N 0 0 383.945 2.794 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(F)cc1Br ZINC000175710866 655225751 /nfs/dbraw/zinc/22/57/51/655225751.db2.gz YMTBSYFITSSALG-CYBMUJFWSA-N 0 0 382.237 2.822 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1nnc(-c3ccsc3)s1)CC2 ZINC000114903925 655230291 /nfs/dbraw/zinc/23/02/91/655230291.db2.gz PVPLIMSVZRLSAM-SNVBAGLBSA-N 0 0 375.483 2.557 10 0 GFAERN Cn1cc([C@@H]2CCN(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)C2)cn1 ZINC000116257804 655246884 /nfs/dbraw/zinc/24/68/84/655246884.db2.gz PIRLJPICUPPLSR-SNVBAGLBSA-N 0 0 379.247 2.770 10 0 GFAERN COc1ccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c(Br)c1OC ZINC000177276894 655272600 /nfs/dbraw/zinc/27/26/00/655272600.db2.gz QCCWBJXHWBCHOQ-ZFWWWQNUSA-N 0 0 399.329 2.619 10 0 GFAERN O=C(COc1ccc(Cl)c(Cl)c1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118671846 655280507 /nfs/dbraw/zinc/28/05/07/655280507.db2.gz OSXPSACQMSYFFB-LBPRGKRZSA-N 0 0 381.263 2.947 10 0 GFAERN O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177546080 655280686 /nfs/dbraw/zinc/28/06/86/655280686.db2.gz AHJIAXDDHYJUHU-CABZTGNLSA-N 0 0 378.778 2.965 10 0 GFAERN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177554588 655281158 /nfs/dbraw/zinc/28/11/58/655281158.db2.gz ZUBXODBZJXPVEX-SKDRFNHKSA-N 0 0 378.778 2.965 10 0 GFAERN C[C@H]1CC[C@@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)O1 ZINC000177914227 655291207 /nfs/dbraw/zinc/29/12/07/655291207.db2.gz IKZPGDQOSRUQJM-GWCFXTLKSA-N 0 0 377.794 2.970 10 0 GFAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119737792 655313124 /nfs/dbraw/zinc/31/31/24/655313124.db2.gz YIZMMNNZMBKTLM-UHFFFAOYSA-N 0 0 395.232 2.656 10 0 GFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cn3cc(Br)cn3)C[C@@H]21 ZINC000184809745 655359724 /nfs/dbraw/zinc/35/97/24/655359724.db2.gz OHLKVMWYXMYCKT-FPMFFAJLSA-N 0 0 385.306 2.838 10 0 GFAERN C[C@@H](NC(=O)NNc1nc2ccccn2n1)c1cccc(Br)c1 ZINC000190946332 655396123 /nfs/dbraw/zinc/39/61/23/655396123.db2.gz BZGVHZDLTLBJQR-SNVBAGLBSA-N 0 0 375.230 2.879 10 0 GFAERN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1COc2ccccc21 ZINC000194683864 655417041 /nfs/dbraw/zinc/41/70/41/655417041.db2.gz AHWACQLKBZHIQO-HNNXBMFYSA-N 0 0 380.853 2.547 10 0 GFAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3oc(Br)cc3n2C)C1 ZINC000223705599 655422465 /nfs/dbraw/zinc/42/24/65/655422465.db2.gz WURKEEVKONWVER-SNVBAGLBSA-N 0 0 383.242 2.949 10 0 GFAERN Cc1csc([C@@H]2CCCN([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000249869291 655434824 /nfs/dbraw/zinc/43/48/24/655434824.db2.gz JAGWQFKFLDLRSC-VXGBXAGGSA-N 0 0 378.523 2.819 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)CSc2ccc(Cl)cc2)C1 ZINC000262724683 655446695 /nfs/dbraw/zinc/44/66/95/655446695.db2.gz RVHOVRKCNWQKHV-UHFFFAOYSA-N 0 0 382.913 2.876 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000262916608 655447921 /nfs/dbraw/zinc/44/79/21/655447921.db2.gz FEVWZUXHOVEPJV-UHFFFAOYSA-N 0 0 388.295 2.773 10 0 GFAERN Cc1ccc(C(=O)NN2C(=O)/C(=C3\C(=O)Nc4ccccc43)SC2=S)cc1 ZINC000001808557 212257424 /nfs/dbraw/zinc/25/74/24/212257424.db2.gz ZJIYUWFBKYALME-CCEZHUSRSA-N 0 0 395.465 2.864 10 0 GFAERN C[C@@H](CN1CCN([C@H]2Cc3ccccc3C[C@@H]2O)CC1)C(=O)c1ccccc1 ZINC000022033533 212154321 /nfs/dbraw/zinc/15/43/21/212154321.db2.gz SZDLYOHKAVLHRP-TZYHBYERSA-N 0 0 378.516 2.651 10 0 GFAERN O=C([O-])c1cn(C2CC2)c2c(cc(F)c(N3CC[NH2+]CC3)c2C(F)(F)F)c1=O ZINC000003781379 212146812 /nfs/dbraw/zinc/14/68/12/212146812.db2.gz XJVFMQZLUIUEKO-UHFFFAOYSA-N 0 0 399.344 2.602 10 0 GFAERN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC ZINC000006483691 220936977 /nfs/dbraw/zinc/93/69/77/220936977.db2.gz ZGLXUQQMLLIKAN-CJMONDIMSA-N 0 0 398.411 2.918 10 0 GFAERN CC[C@H](C)n1c(SC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000007973795 221017740 /nfs/dbraw/zinc/01/77/40/221017740.db2.gz NPAYJGOYLBQMHO-ZDUSSCGKSA-N 0 0 396.538 2.659 10 0 GFAERN COC(=O)c1cc(CNC(=O)c2ccccn2)cc(NC(=O)c2ccoc2)c1 ZINC000012078700 221148322 /nfs/dbraw/zinc/14/83/22/221148322.db2.gz HNHHWEDMXFPEGM-UHFFFAOYSA-N 0 0 379.372 2.644 10 0 GFAERN COC[C@@H](C)NC(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1C ZINC000011909862 221136266 /nfs/dbraw/zinc/13/62/66/221136266.db2.gz BKIVYNYKZDBQRX-CYBMUJFWSA-N 0 0 383.427 2.850 10 0 GFAERN CCc1ccc(OC[C@@H](O)Cn2c3cc(C)nn3c3ccccc3c2=O)cc1 ZINC000012912256 221244736 /nfs/dbraw/zinc/24/47/36/221244736.db2.gz QVHQIHBSIGUEPK-KRWDZBQOSA-N 0 0 377.444 2.960 10 0 GFAERN CCn1nc(C)c(CCNC(=O)c2noc(C)c2Cn2nc(C)cc2C)c1C ZINC000015736207 221343278 /nfs/dbraw/zinc/34/32/78/221343278.db2.gz DBSIACCLYDPARJ-UHFFFAOYSA-N 0 0 384.484 2.650 10 0 GFAERN Cc1noc2nc(CCC(=O)N[C@H](C)c3ccccc3)nc(N3CCOCC3)c12 ZINC000065056476 136159006 /nfs/dbraw/zinc/15/90/06/136159006.db2.gz CCNMXUIUHLSURS-CQSZACIVSA-N 0 0 395.463 2.573 10 0 GFAERN O=C(NCc1ccccn1)c1csc(N2CCN(c3ccccc3)CC2)n1 ZINC000065307392 136162877 /nfs/dbraw/zinc/16/28/77/136162877.db2.gz UOMHUTVCXJIIFG-UHFFFAOYSA-N 0 0 379.489 2.795 10 0 GFAERN Cc1cc(C)c2c(n1)nc(C(=O)NC1CCCCCC1)nc2N1CCOCC1 ZINC000096396778 136186905 /nfs/dbraw/zinc/18/69/05/136186905.db2.gz OAKIMAILLTWHNY-UHFFFAOYSA-N 0 0 383.496 2.931 10 0 GFAERN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)COc1ccc(Cl)cc1 ZINC000224300875 136206745 /nfs/dbraw/zinc/20/67/45/136206745.db2.gz HANMYNUWZYBPHV-UHFFFAOYSA-N 0 0 376.844 2.601 10 0 GFAERN O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000021656417 221536789 /nfs/dbraw/zinc/53/67/89/221536789.db2.gz LUBVXIGNJQPIRD-WMZOPIPTSA-N 0 0 382.464 2.781 10 0 GFAERN CCn1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)n2CC)n1 ZINC000028246150 221671664 /nfs/dbraw/zinc/67/16/64/221671664.db2.gz WWWVNHURDVNONB-UHFFFAOYSA-N 0 0 386.481 2.921 10 0 GFAERN CCNC(=O)NC1CCN(c2ccccc2C(=O)N(C)Cc2ccco2)CC1 ZINC000037525280 221872961 /nfs/dbraw/zinc/87/29/61/221872961.db2.gz YVGNAFCAFBRGBE-UHFFFAOYSA-N 0 0 384.480 2.840 10 0 GFAERN CC(=O)Nc1ccc(-n2cccc(C(=O)NCc3ccc(F)cc3)c2=O)cc1 ZINC000065062771 222097995 /nfs/dbraw/zinc/09/79/95/222097995.db2.gz BLEDHQPRCAXNGW-UHFFFAOYSA-N 0 0 379.391 2.865 10 0 GFAERN Cc1cc2c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c3cccnc3n2n1 ZINC000065240223 222114030 /nfs/dbraw/zinc/11/40/30/222114030.db2.gz VNMKGBWJIFXSOP-UHFFFAOYSA-N 0 0 385.786 2.784 10 0 GFAERN Cc1ccccc1C(=O)N[C@H](c1nnc(N2CCOCC2)o1)c1ccccc1 ZINC000065209685 222111885 /nfs/dbraw/zinc/11/18/85/222111885.db2.gz TXEMRSWIMKSWFY-SFHVURJKSA-N 0 0 378.432 2.734 10 0 GFAERN CCN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000064527305 222072357 /nfs/dbraw/zinc/07/23/57/222072357.db2.gz RKOOMTFLQHEJFF-UHFFFAOYSA-N 0 0 388.682 2.955 10 0 GFAERN CCn1ccc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)n1 ZINC000065266017 222118991 /nfs/dbraw/zinc/11/89/91/222118991.db2.gz HUDQJKZQPXHSPH-JOCHJYFZSA-N 0 0 394.523 2.709 10 0 GFAERN CCN(CCNC(=O)[C@@H]1CCc2nc(N3CCCC3)ncc2C1)c1ccccc1 ZINC000065289438 222121114 /nfs/dbraw/zinc/12/11/14/222121114.db2.gz IMQIKIYOCUZRMY-GOSISDBHSA-N 0 0 393.535 2.824 10 0 GFAERN Oc1cccc(-c2cc(CC3(NCc4ccc5c(c4)OCO5)COC3)no2)c1 ZINC000067898329 222167586 /nfs/dbraw/zinc/16/75/86/222167586.db2.gz RSCIXTAZGMYNMX-UHFFFAOYSA-N 0 0 380.400 2.877 10 0 GFAERN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(CCO)CO4)cc1OC ZINC000094993433 222328813 /nfs/dbraw/zinc/32/88/13/222328813.db2.gz KFVAOQXCGOWPAF-UHFFFAOYSA-N 0 0 383.400 2.621 10 0 GFAERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1cccc2c1OCCO2 ZINC000095075230 222329719 /nfs/dbraw/zinc/32/97/19/222329719.db2.gz JXDQRMDVYBLIIQ-AWEZNQCLSA-N 0 0 376.453 2.929 10 0 GFAERN COc1cc(CC[C@H](O)CC(=O)CC[C@@H]2CC[C@H](O)[C@H](OC)C2)ccc1O ZINC000095933346 222361243 /nfs/dbraw/zinc/36/12/43/222361243.db2.gz XMNDMZNXKHJPKM-KPYYAMLLSA-N 0 0 380.481 2.610 10 0 GFAERN CCCS(=O)(=O)N1CCC2(CN(C[C@@H]3CCOC3)c3ccccc32)CC1 ZINC000096078807 222376178 /nfs/dbraw/zinc/37/61/78/222376178.db2.gz GTRPZXKOEVPGRR-KRWDZBQOSA-N 0 0 378.538 2.617 10 0 GFAERN CC(=O)SC[C@H](Cc1ccccc1)C(=O)NCC(=O)COc1ccccc1 ZINC000504239087 527119577 /nfs/dbraw/zinc/11/95/77/527119577.db2.gz TZNIJDBZXODJPS-SFHVURJKSA-N 0 0 385.485 2.889 10 0 GFAERN O=c1c2sccc2nc(N2CCC(O)CC2)n1Cc1cc(F)ccc1F ZINC000057344620 527473197 /nfs/dbraw/zinc/47/31/97/527473197.db2.gz KIKKXSASARPEGS-UHFFFAOYSA-N 0 0 377.416 2.746 10 0 GFAERN COCCCNC(=O)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000064819166 536575310 /nfs/dbraw/zinc/57/53/10/536575310.db2.gz HXOZRVZSVHFXQQ-UHFFFAOYSA-N 0 0 397.401 2.517 10 0 GFAERN C[C@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000010382770 551104916 /nfs/dbraw/zinc/10/49/16/551104916.db2.gz VHYBSSKMHIIPOD-JTQLQIEISA-N 0 0 376.463 2.826 10 0 GFAERN CSCC[C@@H](NC(=O)CS(=O)(=O)CC(C)C)c1nc2ccccc2[nH]1 ZINC000042218769 551138682 /nfs/dbraw/zinc/13/86/82/551138682.db2.gz YIPBYWXVNZGYBD-OAHLLOKOSA-N 0 0 383.539 2.544 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccccc1S(C)(=O)=O)c1cccc(Cl)c1 ZINC000048780857 551157505 /nfs/dbraw/zinc/15/75/05/551157505.db2.gz HIWDFFFXCDNCMU-NSHDSACASA-N 0 0 380.853 2.559 10 0 GFAERN C[C@@H](NC(=O)NCCC(=O)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049787938 551159393 /nfs/dbraw/zinc/15/93/93/551159393.db2.gz FUNYQFCPBJSMPX-GFCCVEGCSA-N 0 0 387.311 2.518 10 0 GFAERN CC[C@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)CCN1CCOC ZINC000117448253 551213831 /nfs/dbraw/zinc/21/38/31/551213831.db2.gz POBOBTDCLADJRX-ZDUSSCGKSA-N 0 0 381.527 2.841 10 0 GFAERN O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N1CCC[C@H]1CO ZINC000120979250 551224278 /nfs/dbraw/zinc/22/42/78/551224278.db2.gz ZDPRFLSMXXBMGV-VIFPVBQESA-N 0 0 378.828 2.619 10 0 GFAERN C[C@@H](NC(=O)NCC1CCS(=O)(=O)CC1)c1ccccc1Br ZINC000121227503 551230290 /nfs/dbraw/zinc/23/02/90/551230290.db2.gz CTUYVFCNSIVOHH-LLVKDONJSA-N 0 0 389.315 2.634 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(Cl)cc1 ZINC000121456979 551234672 /nfs/dbraw/zinc/23/46/72/551234672.db2.gz YDVYYRDKVBQZEY-VIFPVBQESA-N 0 0 380.231 2.908 10 0 GFAERN O=C(NCCS(=O)(=O)c1ccccc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000121772192 551242406 /nfs/dbraw/zinc/24/24/06/551242406.db2.gz JOGFRPAJIOULMI-QWHCGFSZSA-N 0 0 378.416 2.881 10 0 GFAERN Cc1cccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1Br ZINC000121899665 551291865 /nfs/dbraw/zinc/29/18/65/551291865.db2.gz AIFGGYFXNCQHDF-ZDUSSCGKSA-N 0 0 375.270 2.946 10 0 GFAERN O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123302373 551304942 /nfs/dbraw/zinc/30/49/42/551304942.db2.gz ZBADGCIFFSQYHK-PXAZEXFGSA-N 0 0 381.270 2.541 10 0 GFAERN C[C@H](C(=O)NC[C@@]1(C)CCCO1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000123901533 551309802 /nfs/dbraw/zinc/30/98/02/551309802.db2.gz FSJURMVGURSCML-VVVCHXIZSA-N 0 0 385.247 2.663 10 0 GFAERN Cc1cnn(CCNC(=O)c2cc(F)c(F)cc2I)c1 ZINC000125514910 551322074 /nfs/dbraw/zinc/32/20/74/551322074.db2.gz UPYULFFNRLPJRN-UHFFFAOYSA-N 0 0 391.159 2.504 10 0 GFAERN O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC(c2cc[nH]n2)CC1 ZINC000125770985 551323997 /nfs/dbraw/zinc/32/39/97/551323997.db2.gz CVIQXNYMFDOBTO-UHFFFAOYSA-N 0 0 392.253 2.963 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000129399653 551356935 /nfs/dbraw/zinc/35/69/35/551356935.db2.gz BMDRRHFBAUUUOW-LBPRGKRZSA-N 0 0 391.280 2.545 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@@H](C)COC[C@@H]2C)c1 ZINC000131288008 551373774 /nfs/dbraw/zinc/37/37/74/551373774.db2.gz NEGOGZFOLYQRLZ-STQMWFEESA-N 0 0 388.917 2.620 10 0 GFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(c3ccnn3C)CC2)c1 ZINC000132080692 551376646 /nfs/dbraw/zinc/37/66/46/551376646.db2.gz YASWXSZDVWYPNX-UHFFFAOYSA-N 0 0 381.885 2.844 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3cc(Cl)cc(Br)c3)CCO2)[nH]1 ZINC000132873124 551380417 /nfs/dbraw/zinc/38/04/17/551380417.db2.gz VHUZPCLUEMKZMG-GFCCVEGCSA-N 0 0 385.649 2.743 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccc(Br)o1 ZINC000133176632 551382567 /nfs/dbraw/zinc/38/25/67/551382567.db2.gz OZQPYUDUVWYXCQ-NSHDSACASA-N 0 0 382.262 2.873 10 0 GFAERN O=C(Cc1cc(Br)ccc1F)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000134080566 551384579 /nfs/dbraw/zinc/38/45/79/551384579.db2.gz OCIBEHJSYWSGJW-CQSZACIVSA-N 0 0 393.260 2.706 10 0 GFAERN O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@@H]1CCCC[C@H]1CO ZINC000151112791 551407368 /nfs/dbraw/zinc/40/73/68/551407368.db2.gz FOWFANPYDWMFEQ-WCQYABFASA-N 0 0 379.507 2.667 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@@H]1CCCO1 ZINC000151814564 551421327 /nfs/dbraw/zinc/42/13/27/551421327.db2.gz BLYXWLIFZFPWIC-UFBFGSQYSA-N 0 0 375.650 2.725 10 0 GFAERN O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000152918765 551442629 /nfs/dbraw/zinc/44/26/29/551442629.db2.gz IRWHJXQGLXMYLL-KGLIPLIRSA-N 0 0 382.448 2.633 10 0 GFAERN O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000152918840 551442661 /nfs/dbraw/zinc/44/26/61/551442661.db2.gz IRWHJXQGLXMYLL-UONOGXRCSA-N 0 0 382.448 2.633 10 0 GFAERN Cc1ccc([C@H](C)NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)o1 ZINC000152973128 551444400 /nfs/dbraw/zinc/44/44/00/551444400.db2.gz PYENZMNGYSJPIB-JTQLQIEISA-N 0 0 391.902 2.642 10 0 GFAERN O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000153347247 551451237 /nfs/dbraw/zinc/45/12/37/551451237.db2.gz KBXWYODKFWQZGA-ZDUSSCGKSA-N 0 0 381.249 2.661 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000154561002 551478060 /nfs/dbraw/zinc/47/80/60/551478060.db2.gz PYVOXDRSOJZWEF-CVEARBPZSA-N 0 0 377.286 2.645 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Cc1ccc(Br)cc1)CC2 ZINC000155166606 551493482 /nfs/dbraw/zinc/49/34/82/551493482.db2.gz DULXSIIYAWLHAN-SWLSCSKDSA-N 0 0 391.313 2.913 10 0 GFAERN CCOC(=O)Cc1nnc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000155534451 551501904 /nfs/dbraw/zinc/50/19/04/551501904.db2.gz DLSMTPZXBMHUIM-IUCAKERBSA-N 0 0 380.392 2.886 10 0 GFAERN C[C@@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccccc1Br ZINC000156264709 551518832 /nfs/dbraw/zinc/51/88/32/551518832.db2.gz OMJPESPFSMEIFY-LLVKDONJSA-N 0 0 389.315 2.729 10 0 GFAERN O=C(c1ccoc1)N1CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000157020272 551532004 /nfs/dbraw/zinc/53/20/04/551532004.db2.gz OANWPZLSECBQLQ-UHFFFAOYSA-N 0 0 387.237 2.948 10 0 GFAERN CC[C@H](COC)NC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000157514529 551538682 /nfs/dbraw/zinc/53/86/82/551538682.db2.gz DLOTZUIUXGFXHP-KGLIPLIRSA-N 0 0 387.274 2.778 10 0 GFAERN O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)[C@@H]1CNC(=O)C1 ZINC000158414563 551551873 /nfs/dbraw/zinc/55/18/73/551551873.db2.gz QLQCOFOEMOWKKD-SUMWQHHRSA-N 0 0 391.240 2.930 10 0 GFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000158996790 551559498 /nfs/dbraw/zinc/55/94/98/551559498.db2.gz OMNKEDIYTFVILA-SSDOTTSWSA-N 0 0 396.175 2.669 10 0 GFAERN C[C@H]1CN(C(=O)CSc2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000164091850 551623890 /nfs/dbraw/zinc/62/38/90/551623890.db2.gz DXCNRQRIQQHVDU-BBRMVZONSA-N 0 0 399.354 2.720 10 0 GFAERN C[C@H](NC(=O)c1cc(I)c[nH]1)c1ccc2c(c1)OCCO2 ZINC000172187739 551673055 /nfs/dbraw/zinc/67/30/55/551673055.db2.gz PHYQCXYTCOAFGI-VIFPVBQESA-N 0 0 398.200 2.882 10 0 GFAERN CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172750201 551686333 /nfs/dbraw/zinc/68/63/33/551686333.db2.gz IWERLULZJFOXSG-OAHLLOKOSA-N 0 0 397.313 2.783 10 0 GFAERN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172767514 551686490 /nfs/dbraw/zinc/68/64/90/551686490.db2.gz DFZKYHGBHOLFLC-ZFWWWQNUSA-N 0 0 399.354 2.863 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(Cl)ccc3Br)CCO2)[nH]1 ZINC000173089285 551695548 /nfs/dbraw/zinc/69/55/48/551695548.db2.gz PSIWWHBGZUADAG-LBPRGKRZSA-N 0 0 385.649 2.743 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCS1 ZINC000174838182 552111542 /nfs/dbraw/zinc/11/15/42/552111542.db2.gz KHQWUNIFOWAVES-SSDOTTSWSA-N 0 0 379.226 2.630 10 0 GFAERN CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000175205939 552117577 /nfs/dbraw/zinc/11/75/77/552117577.db2.gz VCLDBERDNQMZFI-LLVKDONJSA-N 0 0 397.324 2.515 10 0 GFAERN COC(=O)[C@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000175364371 552119847 /nfs/dbraw/zinc/11/98/47/552119847.db2.gz IHYWQBWIMXSPSA-LLVKDONJSA-N 0 0 393.608 2.722 10 0 GFAERN C[C@H](NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)c1cccc(Br)c1 ZINC000175663145 552126323 /nfs/dbraw/zinc/12/63/23/552126323.db2.gz DBXBQSWHNYOCEP-GRDNDAEWSA-N 0 0 396.329 2.872 10 0 GFAERN CN1CCO[C@H](CNC(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000175907400 552132199 /nfs/dbraw/zinc/13/21/99/552132199.db2.gz BIKLQSWMRHWPAX-CQSZACIVSA-N 0 0 379.913 2.817 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000176677647 552143428 /nfs/dbraw/zinc/14/34/28/552143428.db2.gz NAWXEKNGDFYQDM-GFCCVEGCSA-N 0 0 389.257 2.744 10 0 GFAERN COC(=O)C[C@H](NC(=O)CC[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000176870624 552147789 /nfs/dbraw/zinc/14/77/89/552147789.db2.gz NFEJEFNTTNHPGD-DOMZBBRYSA-N 0 0 384.270 2.986 10 0 GFAERN O=C(COc1ccc(Br)cc1Cl)N[C@H]1CCCn2ncnc21 ZINC000177612227 552155926 /nfs/dbraw/zinc/15/59/26/552155926.db2.gz QQHLYTDEADDYCV-NSHDSACASA-N 0 0 385.649 2.724 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000177718724 552157891 /nfs/dbraw/zinc/15/78/91/552157891.db2.gz XJSFRHIKXRODKA-HZMBPMFUSA-N 0 0 379.258 2.768 10 0 GFAERN Cc1ccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1Br ZINC000177730973 552158268 /nfs/dbraw/zinc/15/82/68/552158268.db2.gz LEIUWKFFRAVEOJ-CJNGLKHVSA-N 0 0 382.302 2.942 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(F)c(I)c1 ZINC000179223627 552187471 /nfs/dbraw/zinc/18/74/71/552187471.db2.gz HIHBHPDTIODEAV-ZWNOBZJWSA-N 0 0 377.197 2.711 10 0 GFAERN CCN(CCc1nccs1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000179228812 552187871 /nfs/dbraw/zinc/18/78/71/552187871.db2.gz QLLUNWLFRVMZHX-CQSZACIVSA-N 0 0 379.507 2.636 10 0 GFAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)C2)c1 ZINC000179361446 552191222 /nfs/dbraw/zinc/19/12/22/552191222.db2.gz PRDKGUPCWVRYAO-LBPRGKRZSA-N 0 0 379.873 2.747 10 0 GFAERN CCc1nnc(CS(=O)(=O)Cc2csc(-c3ccccc3F)n2)n1C ZINC000180055968 552211043 /nfs/dbraw/zinc/21/10/43/552211043.db2.gz WOIGZLDIVZFQQW-UHFFFAOYSA-N 0 0 380.470 2.755 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000180091920 552212833 /nfs/dbraw/zinc/21/28/33/552212833.db2.gz OOPZSFWYJGWGCL-NSHDSACASA-N 0 0 384.889 2.510 10 0 GFAERN C[C@@H](NC(=O)NC[C@@H]1COC2(CCOCC2)O1)c1ccccc1Br ZINC000180219900 552217867 /nfs/dbraw/zinc/21/78/67/552217867.db2.gz TXSGRMANFMDXTJ-CHWSQXEVSA-N 0 0 399.285 2.731 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000180402244 552225667 /nfs/dbraw/zinc/22/56/67/552225667.db2.gz UDGPDSYLNSUSQD-CYBMUJFWSA-N 0 0 381.263 2.920 10 0 GFAERN COc1ccc(C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)nc1Br ZINC000181036333 552243669 /nfs/dbraw/zinc/24/36/69/552243669.db2.gz XKWYEBINKCUZOT-LLVKDONJSA-N 0 0 395.257 2.639 10 0 GFAERN COCCN1CCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1C ZINC000181094741 552246376 /nfs/dbraw/zinc/24/63/76/552246376.db2.gz CHRJCUHUQJTCDQ-SUMWQHHRSA-N 0 0 386.323 2.751 10 0 GFAERN COC(=O)C[C@@H](NC(=O)N[C@H]1CCCOCC1)c1cccc(Br)c1 ZINC000181646660 552264312 /nfs/dbraw/zinc/26/43/12/552264312.db2.gz QBDCBJMSDFMCAV-LSDHHAIUSA-N 0 0 399.285 2.922 10 0 GFAERN O=C(Nc1ccc(Cl)c(OC(F)F)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000181892829 552269928 /nfs/dbraw/zinc/26/99/28/552269928.db2.gz VLIPYFLXFZWRHD-SKDRFNHKSA-N 0 0 376.787 2.547 10 0 GFAERN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000182349859 552281523 /nfs/dbraw/zinc/28/15/23/552281523.db2.gz MBZYKLQKULSESX-WDEREUQCSA-N 0 0 398.330 2.794 10 0 GFAERN O=C(Nc1ccc(Cl)cc1OC(F)F)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000183556004 552312849 /nfs/dbraw/zinc/31/28/49/552312849.db2.gz QDHWPRGKFOHIHX-GXSJLCMTSA-N 0 0 376.787 2.547 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)CCOc2cccc(Br)c2)n1 ZINC000183763815 552318554 /nfs/dbraw/zinc/31/85/54/552318554.db2.gz NMOWNWJTMHBJEC-AWEZNQCLSA-N 0 0 396.241 2.510 10 0 GFAERN C[C@@H]1CN(C(=O)c2cccc(Br)c2Cl)C[C@H]1N1CCOCC1 ZINC000184077469 552326798 /nfs/dbraw/zinc/32/67/98/552326798.db2.gz NJLXHBSYVWGDDN-BXUZGUMPSA-N 0 0 387.705 2.895 10 0 GFAERN COC(=O)c1sccc1NC(=O)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000184408690 552335205 /nfs/dbraw/zinc/33/52/05/552335205.db2.gz LRZKIRIQWKDPCC-GFCCVEGCSA-N 0 0 378.837 2.930 10 0 GFAERN CS(=O)(=O)CCCCCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000184930198 552348188 /nfs/dbraw/zinc/34/81/88/552348188.db2.gz ZEOIWXMWNXOGBM-CQSZACIVSA-N 0 0 380.432 2.674 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C12CCOCC2 ZINC000185149639 552355281 /nfs/dbraw/zinc/35/52/81/552355281.db2.gz CHSBSGNIXJOUQF-CABCVRRESA-N 0 0 377.865 2.732 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C12CCOCC2 ZINC000185149621 552355498 /nfs/dbraw/zinc/35/54/98/552355498.db2.gz CHSBSGNIXJOUQF-HUUCEWRRSA-N 0 0 377.865 2.732 10 0 GFAERN CC(C)n1nnnc1CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000185274522 552359858 /nfs/dbraw/zinc/35/98/58/552359858.db2.gz HKEWOHUHBAZDDP-AWEZNQCLSA-N 0 0 384.253 2.729 10 0 GFAERN Cc1ccc(CCC(=O)N2CC[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000185534027 552365490 /nfs/dbraw/zinc/36/54/90/552365490.db2.gz QNBVZUNVMMNYDF-INIZCTEOSA-N 0 0 381.314 2.623 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Cc1ccc(F)cc1Br)CC2 ZINC000186432698 552387664 /nfs/dbraw/zinc/38/76/64/552387664.db2.gz IIBASHRGZYKIDS-CYBMUJFWSA-N 0 0 395.276 2.977 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000186640970 552393004 /nfs/dbraw/zinc/39/30/04/552393004.db2.gz DDLPJLGUDUIUGT-UHFFFAOYSA-N 0 0 389.279 2.770 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ncc(Br)cc1F ZINC000187306139 552412398 /nfs/dbraw/zinc/41/23/98/552412398.db2.gz YKAZKZNUVYAOFI-CABZTGNLSA-N 0 0 384.253 2.907 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)cc(Br)c1 ZINC000187560164 552419020 /nfs/dbraw/zinc/41/90/20/552419020.db2.gz GVVFAUDLYAVGJM-CQSZACIVSA-N 0 0 389.315 2.900 10 0 GFAERN Cc1ccc(Br)cc1CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000187674722 552421449 /nfs/dbraw/zinc/42/14/49/552421449.db2.gz OQRKVPJXFOCIEZ-PBHICJAKSA-N 0 0 396.329 2.620 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000187688943 552422025 /nfs/dbraw/zinc/42/20/25/552422025.db2.gz PLVMDEBAMKWCMB-QGZVFWFLSA-N 0 0 392.253 2.803 10 0 GFAERN Cc1ccc(Br)nc1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000187878667 552427342 /nfs/dbraw/zinc/42/73/42/552427342.db2.gz DZFRZIFRRYEQJH-NSHDSACASA-N 0 0 378.274 2.612 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000188223550 552439765 /nfs/dbraw/zinc/43/97/65/552439765.db2.gz RYUCXVYMAHJZFN-SNVBAGLBSA-N 0 0 394.273 2.580 10 0 GFAERN CCOC(C)(C)CNC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000188654092 552450882 /nfs/dbraw/zinc/45/08/82/552450882.db2.gz PUBXPFJTYXQAQJ-SECBINFHSA-N 0 0 387.263 2.909 10 0 GFAERN CCCOc1c(Br)cc(CN2CCCNC(=O)[C@H]2C)cc1OC ZINC000189097756 552463008 /nfs/dbraw/zinc/46/30/08/552463008.db2.gz MKLBPFALSQTDEE-GFCCVEGCSA-N 0 0 385.302 2.957 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000189242238 552466540 /nfs/dbraw/zinc/46/65/40/552466540.db2.gz OPWPOCHQMGLUJC-LBPRGKRZSA-N 0 0 375.519 2.679 10 0 GFAERN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189454988 552471768 /nfs/dbraw/zinc/47/17/68/552471768.db2.gz NFWSWCPDWYYJAH-ZYHUDNBSSA-N 0 0 376.425 2.868 10 0 GFAERN Cc1csc(C(=O)N2CCN3CCCC[C@@H]3C2)c1I ZINC000190551019 552500784 /nfs/dbraw/zinc/50/07/84/552500784.db2.gz FMTIQLWRGBPBSV-LLVKDONJSA-N 0 0 390.290 2.971 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000190732530 552507665 /nfs/dbraw/zinc/50/76/65/552507665.db2.gz QNPYHIQLXPVCQA-DYZYQPBXSA-N 0 0 387.263 2.666 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCS1 ZINC000190817955 552510159 /nfs/dbraw/zinc/51/01/59/552510159.db2.gz ZBWIPUKGMMOEEL-ZETCQYMHSA-N 0 0 379.226 2.630 10 0 GFAERN CC(C)c1nnc(CSCCN(Cc2ccccc2)S(C)(=O)=O)n1C ZINC000191001899 552516173 /nfs/dbraw/zinc/51/61/73/552516173.db2.gz ARYBWPWTQIIVFT-UHFFFAOYSA-N 0 0 382.555 2.634 10 0 GFAERN CCn1c(C)nnc1CN(CC(=O)OC)Cc1cccc(Br)c1 ZINC000191611084 552532878 /nfs/dbraw/zinc/53/28/78/552532878.db2.gz JEARBFPACNOFIG-UHFFFAOYSA-N 0 0 381.274 2.544 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)c3cc(Br)ncc3Cl)CCO2)cn1 ZINC000191712282 552535597 /nfs/dbraw/zinc/53/55/97/552535597.db2.gz RHOZFYRAGUBXLU-ZDUSSCGKSA-N 0 0 399.676 2.928 10 0 GFAERN O=C(Cc1ccc(I)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000192061587 552548352 /nfs/dbraw/zinc/54/83/52/552548352.db2.gz OVOVEFWSAQSBEL-PBHICJAKSA-N 0 0 399.272 2.987 10 0 GFAERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2cccs2)CC1 ZINC000192232630 552557070 /nfs/dbraw/zinc/55/70/70/552557070.db2.gz CUBSEZBABRDNJQ-CQSZACIVSA-N 0 0 388.555 2.565 10 0 GFAERN CCn1c(C)nnc1CN(CCC(=O)OC)Cc1cccc(Br)c1 ZINC000192329117 552560340 /nfs/dbraw/zinc/56/03/40/552560340.db2.gz HBFYFFYCHNWIHR-UHFFFAOYSA-N 0 0 395.301 2.934 10 0 GFAERN COC(=O)C[C@H](NC(=O)Nc1cnns1)c1cccc(Br)c1 ZINC000192372184 552560884 /nfs/dbraw/zinc/56/08/84/552560884.db2.gz PVQHCUIHDCPWNY-JTQLQIEISA-N 0 0 385.243 2.727 10 0 GFAERN CCCCOC[C@@H](O)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000193377072 552991818 /nfs/dbraw/zinc/99/18/18/552991818.db2.gz DVLUHQXBVZGTDZ-MAUKXSAKSA-N 0 0 398.297 2.643 10 0 GFAERN CCOC(=O)[C@@H](NC(=O)Cn1c(C)c(C)sc1=O)c1ccc(Cl)cc1 ZINC000193864711 553005509 /nfs/dbraw/zinc/00/55/09/553005509.db2.gz FJDSMNXBJMIJOI-HNNXBMFYSA-N 0 0 382.869 2.601 10 0 GFAERN C[C@@H](NC(=O)NCCC(=O)N1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000193907352 553006330 /nfs/dbraw/zinc/00/63/30/553006330.db2.gz CLHCGVZODZOQNG-SNVBAGLBSA-N 0 0 392.258 2.742 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cccc4ncccc43)CCO2)n1 ZINC000193951682 553007562 /nfs/dbraw/zinc/00/75/62/553007562.db2.gz TUMORSJHZZRBRW-OAHLLOKOSA-N 0 0 375.475 2.762 10 0 GFAERN CCOC(=O)[C@@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000194357486 553018597 /nfs/dbraw/zinc/01/85/97/553018597.db2.gz LALFNXOHIUUGFX-GWCFXTLKSA-N 0 0 380.794 2.943 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)C1 ZINC000194434891 553021019 /nfs/dbraw/zinc/02/10/19/553021019.db2.gz FJRRQHMCPIKYMA-BLLLJJGKSA-N 0 0 382.302 2.690 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1ccc(Br)cc1)CC2 ZINC000195264676 553043180 /nfs/dbraw/zinc/04/31/80/553043180.db2.gz AAXXEUMOBZNKIS-AWEZNQCLSA-N 0 0 377.286 2.838 10 0 GFAERN Cc1csc([C@@H]2CN(CC(=O)Nc3ccc(Br)cn3)CCO2)n1 ZINC000195387827 553046614 /nfs/dbraw/zinc/04/66/14/553046614.db2.gz WTNMSIOGNOKVJP-LBPRGKRZSA-N 0 0 397.298 2.621 10 0 GFAERN Nc1ncnc2c1c(I)cn2-c1ccc([N+](=O)[O-])cc1 ZINC000219449604 553054490 /nfs/dbraw/zinc/05/44/90/553054490.db2.gz APZPASLKJMVBNL-UHFFFAOYSA-N 0 0 381.133 2.516 10 0 GFAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000246695623 553112111 /nfs/dbraw/zinc/11/21/11/553112111.db2.gz NBNYPABLCVWIKK-JKSUJKDBSA-N 0 0 376.254 2.524 10 0 GFAERN NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246871061 553114270 /nfs/dbraw/zinc/11/42/70/553114270.db2.gz UQCOIYPCIFVBOR-CZUORRHYSA-N 0 0 394.244 2.663 10 0 GFAERN CCc1nc(CC(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)cs1 ZINC000246946052 553115730 /nfs/dbraw/zinc/11/57/30/553115730.db2.gz OZOGGKDWHWGXHL-ZFWWWQNUSA-N 0 0 379.551 2.888 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CCN1C[C@H](C)O ZINC000246939640 553116032 /nfs/dbraw/zinc/11/60/32/553116032.db2.gz RRLJHMWQJBEQLF-NWDGAFQWSA-N 0 0 383.901 2.974 10 0 GFAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000247158185 553119595 /nfs/dbraw/zinc/11/95/95/553119595.db2.gz QJZXKTMVTJTKQQ-HEHGZKQESA-N 0 0 387.307 2.940 10 0 GFAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248030331 553127027 /nfs/dbraw/zinc/12/70/27/553127027.db2.gz QGQWOQYNORSRHR-SWLSCSKDSA-N 0 0 379.400 2.901 10 0 GFAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000248898957 553136429 /nfs/dbraw/zinc/13/64/29/553136429.db2.gz WHAUKHDRVHFAQJ-KGLIPLIRSA-N 0 0 386.901 2.594 10 0 GFAERN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1CC(F)(F)CN1 ZINC000262957347 553179586 /nfs/dbraw/zinc/17/95/86/553179586.db2.gz KHWWPESLEFFNMI-UONOGXRCSA-N 0 0 375.822 2.729 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCCCc2ccc(Cl)s2)C1 ZINC000263397066 553187520 /nfs/dbraw/zinc/18/75/20/553187520.db2.gz RLFJCOSHXJYQLM-UHFFFAOYSA-N 0 0 387.933 2.961 10 0 GFAERN Cc1cc(Br)cc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000263458890 553188221 /nfs/dbraw/zinc/18/82/21/553188221.db2.gz VGJZUZPZDJLGMM-UHFFFAOYSA-N 0 0 395.297 2.815 10 0 GFAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(Br)cc(Br)c1 ZINC000281728876 563385732 /nfs/dbraw/zinc/38/57/32/563385732.db2.gz GUJHJZZDHVCTES-HQJQHLMTSA-N 0 0 390.075 2.609 10 0 GFAERN CCc1csc([C@H]2CCCN(c3cnn(C)c(=O)c3Br)C2)n1 ZINC000301221351 563396392 /nfs/dbraw/zinc/39/63/92/563396392.db2.gz BNWDCHQZOXYIHD-JTQLQIEISA-N 0 0 383.315 2.946 10 0 GFAERN OC[C@@H]1CCCN1c1cc(N2CCc3cccc(Br)c3C2)ncn1 ZINC000301283131 563399421 /nfs/dbraw/zinc/39/94/21/563399421.db2.gz LLHLABLKDDTHKI-AWEZNQCLSA-N 0 0 389.297 2.763 10 0 GFAERN CN1CC[C@H](Nc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)C1=O ZINC000301332593 563400957 /nfs/dbraw/zinc/40/09/57/563400957.db2.gz AXBUWMDTQTYMMU-LBPRGKRZSA-N 0 0 387.654 2.835 10 0 GFAERN CCCc1nnc(N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 ZINC000301678735 563410414 /nfs/dbraw/zinc/41/04/14/563410414.db2.gz RUIJYUHRUULTCT-UHFFFAOYSA-N 0 0 384.502 2.531 10 0 GFAERN Cc1nc(CN2CCC(CNc3ncccc3S(C)(=O)=O)CC2)cs1 ZINC000302715236 563428409 /nfs/dbraw/zinc/42/84/09/563428409.db2.gz FRBBWVMPIMBQPS-UHFFFAOYSA-N 0 0 380.539 2.574 10 0 GFAERN C[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000384879081 563518030 /nfs/dbraw/zinc/51/80/30/563518030.db2.gz QIOYQTNZDZLBJA-PELKAZGASA-N 0 0 379.625 2.930 10 0 GFAERN Cc1ccc(CN2CCN(CC(=O)Nc3ccc(C)c(C)c3)S2(=O)=O)cc1 ZINC000006945278 570419127 /nfs/dbraw/zinc/41/91/27/570419127.db2.gz JXUCKWPVTIEZOC-UHFFFAOYSA-N 0 0 387.505 2.613 10 0 GFAERN CC(C)NC(=S)N1C[C@@H](C(=O)NCc2cccnc2)[C@@H](c2ccccc2)C1 ZINC000036042447 570520325 /nfs/dbraw/zinc/52/03/25/570520325.db2.gz ICXUCLGWQBWNQM-RTBURBONSA-N 0 0 382.533 2.696 10 0 GFAERN CC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NC2CC2)c1 ZINC000036218305 570573641 /nfs/dbraw/zinc/57/36/41/570573641.db2.gz MFCALRPEFHQRIK-PMACEKPBSA-N 0 0 393.443 2.986 10 0 GFAERN Cc1cc(Cl)ccc1NC(=O)N1CCN(C2=CC3=NC[C@@H](C)N3C=N2)CC1 ZINC000065265454 570766578 /nfs/dbraw/zinc/76/65/78/570766578.db2.gz PDDJXWIYZFHXNC-CQSZACIVSA-N 0 0 386.887 2.784 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(Cl)s1 ZINC000041758336 654630935 /nfs/dbraw/zinc/63/09/35/654630935.db2.gz QURTURJMGNPXLD-SSDOTTSWSA-N 0 0 386.260 2.970 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(Cl)s1 ZINC000046813423 654686447 /nfs/dbraw/zinc/68/64/47/654686447.db2.gz YHZMCKBFTKRVQJ-VIFPVBQESA-N 0 0 379.912 2.845 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1)c1cccs1 ZINC000048881419 654713434 /nfs/dbraw/zinc/71/34/34/654713434.db2.gz HZSWZJDNWVYZIG-SNVBAGLBSA-N 0 0 375.841 2.798 10 0 GFAERN C[C@@H](C(=O)NCc1cscn1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000050408694 654719512 /nfs/dbraw/zinc/71/95/12/654719512.db2.gz XKOWJHZXJKKINN-ZETCQYMHSA-N 0 0 384.244 2.751 10 0 GFAERN C[C@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000053502442 654747874 /nfs/dbraw/zinc/74/78/74/654747874.db2.gz YXSIHKYXTXBQFM-LBPRGKRZSA-N 0 0 381.885 2.590 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(F)cc(Br)c1 ZINC000125042833 654787277 /nfs/dbraw/zinc/78/72/77/654787277.db2.gz JCYWUAFNPHINNM-CQSZACIVSA-N 0 0 379.233 2.777 10 0 GFAERN CN1C(=O)C[C@@H](C(=O)Nc2cnc(Br)cn2)[C@H]1c1ccc(F)cc1 ZINC000127014947 654823567 /nfs/dbraw/zinc/82/35/67/654823567.db2.gz CLSORDPXCDKQJP-IAQYHMDHSA-N 0 0 393.216 2.536 10 0 GFAERN CCS(=O)(=O)N1CCC(C(=O)Oc2ccc(F)cc2Br)CC1 ZINC000061203607 654837251 /nfs/dbraw/zinc/83/72/51/654837251.db2.gz PARDHYWFUHJREE-UHFFFAOYSA-N 0 0 394.262 2.555 10 0 GFAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000128424686 654846458 /nfs/dbraw/zinc/84/64/58/654846458.db2.gz IPZYOEXEKFELNP-ZDUSSCGKSA-N 0 0 384.864 2.559 10 0 GFAERN Cc1cc(NC(=O)CNC(=O)N[C@H](C)[C@H]2CCCO2)ccc1Br ZINC000131997882 654924706 /nfs/dbraw/zinc/92/47/06/654924706.db2.gz WDVYAEXUVDMTPM-BXUZGUMPSA-N 0 0 384.274 2.563 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)NC[C@@H]3CSCCS3)CC2)cs1 ZINC000132294330 654932072 /nfs/dbraw/zinc/93/20/72/654932072.db2.gz LNECOIWZLIWAGI-OAHLLOKOSA-N 0 0 386.612 2.517 10 0 GFAERN CCOc1cc(Br)ccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000132989174 654951272 /nfs/dbraw/zinc/95/12/72/654951272.db2.gz REAXCLKWJCUETN-LLVKDONJSA-N 0 0 380.246 2.576 10 0 GFAERN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1ccc(Br)cc1 ZINC000068776018 654967794 /nfs/dbraw/zinc/96/77/94/654967794.db2.gz SHTWTCBBIXZPPZ-WBMJQRKESA-N 0 0 390.281 2.906 10 0 GFAERN C[C@H](Cc1ccccc1Br)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000133785805 654974069 /nfs/dbraw/zinc/97/40/69/654974069.db2.gz USKDOTSKQNPNCX-VXGBXAGGSA-N 0 0 379.254 2.908 10 0 GFAERN CC(=O)NCc1ccc(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)s1 ZINC000072085536 655003534 /nfs/dbraw/zinc/00/35/34/655003534.db2.gz CAEATPVBYRVUKQ-UHFFFAOYSA-N 0 0 393.515 2.822 10 0 GFAERN CNC(=O)[C@@H]1CCCN1Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000092097739 655011759 /nfs/dbraw/zinc/01/17/59/655011759.db2.gz SXWFCBDDNAUICP-KRWDZBQOSA-N 0 0 391.313 2.962 10 0 GFAERN COc1c(CN(CCO)Cc2cc(Br)ccc2F)c(C)nn1C ZINC000092737098 655015550 /nfs/dbraw/zinc/01/55/50/655015550.db2.gz VVMBEQMREKTKJI-UHFFFAOYSA-N 0 0 386.265 2.633 10 0 GFAERN NC(=O)c1c(F)cc(Br)cc1NC1CCN(c2ncccn2)CC1 ZINC000092828659 655015728 /nfs/dbraw/zinc/01/57/28/655015728.db2.gz ONZSOGCEFZNOQR-UHFFFAOYSA-N 0 0 394.248 2.558 10 0 GFAERN COCCN1C(=O)S/C(=C\c2cc(OC)c(O)cc2Br)C1=O ZINC000096469661 655031078 /nfs/dbraw/zinc/03/10/78/655031078.db2.gz ZCZRAISRLNXPPO-SDQBBNPISA-N 0 0 388.239 2.846 10 0 GFAERN CN(C)C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 ZINC000096965435 655032540 /nfs/dbraw/zinc/03/25/40/655032540.db2.gz GUUWXEHQWPOWCD-KRWDZBQOSA-N 0 0 380.897 2.776 10 0 GFAERN Cc1cc(C)c(-c2nn(CN3CCS(=O)(=O)[C@H](C)C3)c(=S)o2)c(C)c1 ZINC000151585123 655052638 /nfs/dbraw/zinc/05/26/38/655052638.db2.gz QSBRVMKFWNXAHD-CQSZACIVSA-N 0 0 381.523 2.874 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000103478609 655073223 /nfs/dbraw/zinc/07/32/23/655073223.db2.gz NLAKISOYMDUWEF-CYBMUJFWSA-N 0 0 392.301 2.879 10 0 GFAERN COCCN1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000106107380 655102791 /nfs/dbraw/zinc/10/27/91/655102791.db2.gz ZAEKIHOWPBBWBQ-AWEZNQCLSA-N 0 0 388.339 2.604 10 0 GFAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC(Cn2cccn2)CC1 ZINC000106182481 655104743 /nfs/dbraw/zinc/10/47/43/655104743.db2.gz WKWKGVRDHWORFZ-MRXNPFEDSA-N 0 0 377.286 2.584 10 0 GFAERN CN1CCO[C@@H](CNC(=O)CCCSc2ccc(Br)cc2)C1 ZINC000108263575 655130169 /nfs/dbraw/zinc/13/01/69/655130169.db2.gz UPQRUBMRWJYLIL-AWEZNQCLSA-N 0 0 387.343 2.768 10 0 GFAERN C[C@H]1CN(Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)CCS1 ZINC000171606823 655152859 /nfs/dbraw/zinc/15/28/59/655152859.db2.gz MLXAPWUDQLXPMB-NSHDSACASA-N 0 0 387.552 2.609 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(Br)s3)CCO2)n1 ZINC000110906786 655161745 /nfs/dbraw/zinc/16/17/45/655161745.db2.gz PALWYLJLSQMRRZ-LBPRGKRZSA-N 0 0 384.299 2.865 10 0 GFAERN Cc1ncc(CN2CCN(Cn3ncn(CC(F)(F)F)c3=S)CC2)s1 ZINC000111165107 655165819 /nfs/dbraw/zinc/16/58/19/655165819.db2.gz FHAQASCTGCWBRI-UHFFFAOYSA-N 0 0 392.476 2.517 10 0 GFAERN O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]1Cn1ccnc1 ZINC000173732526 655178334 /nfs/dbraw/zinc/17/83/34/655178334.db2.gz FMWMQOFNPKAEQS-JTQLQIEISA-N 0 0 376.301 2.560 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000173743763 655179107 /nfs/dbraw/zinc/17/91/07/655179107.db2.gz ALGNRSPJJCWSJD-LLVKDONJSA-N 0 0 375.281 2.747 10 0 GFAERN CC(C)c1nc(C2(NCc3csc(CS(C)(=O)=O)n3)CCCC2)no1 ZINC000174244634 655194883 /nfs/dbraw/zinc/19/48/83/655194883.db2.gz QLPWHKDAIKFFPI-UHFFFAOYSA-N 0 0 384.527 2.753 10 0 GFAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000174426824 655202266 /nfs/dbraw/zinc/20/22/66/655202266.db2.gz GQISLVHVBLHGFY-OAHLLOKOSA-N 0 0 382.302 2.992 10 0 GFAERN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000175266841 655217314 /nfs/dbraw/zinc/21/73/14/655217314.db2.gz ZYJJQRJFZGZMOH-LLVKDONJSA-N 0 0 375.296 2.864 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(F)cc1Br)CC2 ZINC000114902353 655230196 /nfs/dbraw/zinc/23/01/96/655230196.db2.gz NTQUCLUYCGIXBS-JTQLQIEISA-N 0 0 382.237 2.879 10 0 GFAERN CSc1nc(C)c(CCC(=O)N2CCCC[C@H]2c2nccs2)c(=O)[nH]1 ZINC000115366961 655236331 /nfs/dbraw/zinc/23/63/31/655236331.db2.gz OZJPTRCJOZKQQU-ZDUSSCGKSA-N 0 0 378.523 2.943 10 0 GFAERN COc1cc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc(OC)c1Br ZINC000116112637 655243931 /nfs/dbraw/zinc/24/39/31/655243931.db2.gz PPZBDWXKDMDUSL-LLVKDONJSA-N 0 0 394.269 2.830 10 0 GFAERN O=C(CNC(=O)c1cccc(Br)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000176463433 655246401 /nfs/dbraw/zinc/24/64/01/655246401.db2.gz JKMMTCSCBJOUDM-OAHLLOKOSA-N 0 0 391.269 2.656 10 0 GFAERN Cc1noc(Cl)c1CC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000176606047 655251052 /nfs/dbraw/zinc/25/10/52/655251052.db2.gz PPISRMJSQKJYPH-BXUZGUMPSA-N 0 0 383.901 2.819 10 0 GFAERN CCOCCN1CCN(S(=O)(=O)c2cccc3c2N=S=N3)C[C@H]1CC ZINC000116899236 655255895 /nfs/dbraw/zinc/25/58/95/655255895.db2.gz VTLWOUUTVPNKMA-CYBMUJFWSA-N 0 0 384.527 2.534 10 0 GFAERN CCOCCN1CCN(C(=O)c2ccc(Br)cc2O)C[C@@H]1CC ZINC000116977165 655258254 /nfs/dbraw/zinc/25/82/54/655258254.db2.gz ADNKSMZVUMOCRJ-AWEZNQCLSA-N 0 0 385.302 2.728 10 0 GFAERN Cc1csc([C@@H](OC(=O)c2ccc(CNS(C)(=O)=O)o2)C(F)(F)F)n1 ZINC000176920886 655261330 /nfs/dbraw/zinc/26/13/30/655261330.db2.gz RJJKUQPWHIFENI-SNVBAGLBSA-N 0 0 398.384 2.554 10 0 GFAERN COCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@H]1C ZINC000117286949 655263206 /nfs/dbraw/zinc/26/32/06/655263206.db2.gz KSNPPGCXKNSTJB-KBRIMQKVSA-N 0 0 381.314 2.732 10 0 GFAERN COCCN1CCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)C[C@H]1C ZINC000117284662 655263229 /nfs/dbraw/zinc/26/32/29/655263229.db2.gz TZGBHSWSEANOFD-LLVKDONJSA-N 0 0 398.276 2.862 10 0 GFAERN Cc1cnn(CCNC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1 ZINC000117987070 655270959 /nfs/dbraw/zinc/27/09/59/655270959.db2.gz HOLLDIDBCFSNJV-UHFFFAOYSA-N 0 0 376.869 2.606 10 0 GFAERN COC(=O)N[C@@H](C(=O)NC[C@H](C)Oc1ccccc1Br)C(C)C ZINC000177260411 655271256 /nfs/dbraw/zinc/27/12/56/655271256.db2.gz DADQOLRNBYTSLT-SMDDNHRTSA-N 0 0 387.274 2.713 10 0 GFAERN Cc1cnn(CCNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000118074890 655271606 /nfs/dbraw/zinc/27/16/06/655271606.db2.gz MNPBMOPERDUWQZ-CQSZACIVSA-N 0 0 392.301 2.532 10 0 GFAERN O=C(Cc1ccc(Br)cc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118669503 655280511 /nfs/dbraw/zinc/28/05/11/655280511.db2.gz UJZXZYKZROSXEM-HNNXBMFYSA-N 0 0 375.270 2.567 10 0 GFAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000177581691 655282382 /nfs/dbraw/zinc/28/23/82/655282382.db2.gz QXTBDGWYSYQHDG-QWRGUYRKSA-N 0 0 382.404 2.689 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCCc1ccc(-c2csc(C)n2)s1)C(C)C ZINC000178414221 655303262 /nfs/dbraw/zinc/30/32/62/655303262.db2.gz CNWVKSQBYVPYND-OAHLLOKOSA-N 0 0 380.539 2.792 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2nc(C)sc2C)CC1 ZINC000178537697 655304335 /nfs/dbraw/zinc/30/43/35/655304335.db2.gz MOEXLIPJGDHNJV-UHFFFAOYSA-N 0 0 381.933 2.667 10 0 GFAERN C[C@H](OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(Cl)(Cl)Cl ZINC000180350193 655325799 /nfs/dbraw/zinc/32/57/99/655325799.db2.gz BVKLWEVVGNDMAR-PTOFAABTSA-N 0 0 382.675 2.632 10 0 GFAERN COc1cccc([C@H]2C[C@H]2C(=O)OCCn2cc(Br)ccc2=O)c1 ZINC000181367806 655336305 /nfs/dbraw/zinc/33/63/05/655336305.db2.gz HWYNVMMNZYWCTI-HZPDHXFCSA-N 0 0 392.249 2.966 10 0 GFAERN COc1cccc([C@@H]2C[C@@H]2C(=O)OCCn2cc(Br)ccc2=O)c1 ZINC000181367758 655336316 /nfs/dbraw/zinc/33/63/16/655336316.db2.gz HWYNVMMNZYWCTI-HOTGVXAUSA-N 0 0 392.249 2.966 10 0 GFAERN CC(C)c1csc([C@@H]2CCCN(C(=O)c3coc(S(N)(=O)=O)c3)C2)n1 ZINC000120494688 655337217 /nfs/dbraw/zinc/33/72/17/655337217.db2.gz LIEWNWFRMDNKMA-LLVKDONJSA-N 0 0 383.495 2.527 10 0 GFAERN COC(=O)C[C@H](NC(=O)NC[C@@]1(C)CCCO1)c1cccc(Br)c1 ZINC000120494879 655337245 /nfs/dbraw/zinc/33/72/45/655337245.db2.gz OTCYXGYIZNATKA-WMLDXEAASA-N 0 0 399.285 2.922 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000188207870 655378768 /nfs/dbraw/zinc/37/87/68/655378768.db2.gz SXAMBTUGSSLIBS-JOZWUWCOSA-N 0 0 388.283 2.777 10 0 GFAERN O=S(=O)(/C=C/c1ccccc1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000190382896 655391567 /nfs/dbraw/zinc/39/15/67/655391567.db2.gz YVZWROSZEXISDE-BJRSVTDJSA-N 0 0 375.471 2.804 10 0 GFAERN Cc1nnc([C@H](C)OC(=O)Cc2cc3c(cc2Br)OCCO3)o1 ZINC000192582246 655405984 /nfs/dbraw/zinc/40/59/84/655405984.db2.gz MSANZZSGYXDVHT-QMMMGPOBSA-N 0 0 383.198 2.759 10 0 GFAERN Cc1cnc([C@@H](C)NS(=O)(=O)c2cc(Br)cnc2Cl)o1 ZINC000226556305 655422607 /nfs/dbraw/zinc/42/26/07/655422607.db2.gz LRLOIHSPLDNQHY-SSDOTTSWSA-N 0 0 380.651 2.833 10 0 GFAERN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c(Cl)n1 ZINC000248638048 655432953 /nfs/dbraw/zinc/43/29/53/655432953.db2.gz ARYXMEHENOKOOZ-RISCZKNCSA-N 0 0 388.823 2.818 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000255715323 655440249 /nfs/dbraw/zinc/44/02/49/655440249.db2.gz XXZKLBXOCVIEEQ-GDAGCXPBSA-N 0 0 397.298 2.774 10 0 GFAERN COc1ccc(CN2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)cc1Br ZINC000263534932 655452429 /nfs/dbraw/zinc/45/24/29/655452429.db2.gz YQFUATCZCGKKKX-AWEZNQCLSA-N 0 0 385.302 2.829 10 0 GFAERN C[C@@H](NC(=O)c1scc(Br)c1Br)c1cn(C)nn1 ZINC000720619997 655524518 /nfs/dbraw/zinc/52/45/18/655524518.db2.gz LRRBHGYRYHBIQP-RXMQYKEDSA-N 0 0 394.092 2.893 10 0 GFAERN COc1cc(/C=C\C(=O)N2CCC[C@@]23CCOC3)cc(Br)c1O ZINC000886059730 663102798 /nfs/dbraw/zinc/10/27/98/663102798.db2.gz YOGAJPHFEBLCCT-LIMHQNJXSA-N 0 0 382.254 2.958 10 0 GFAERN Cc1nsc(N2CCN(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC2)n1 ZINC000121363096 677398941 /nfs/dbraw/zinc/39/89/41/677398941.db2.gz IXYWHQWLRKGGGK-OAHLLOKOSA-N 0 0 377.901 2.815 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1[nH]nc(C(C)C)c1Br)CC2 ZINC000133858387 677400821 /nfs/dbraw/zinc/40/08/21/677400821.db2.gz VPLAOVSFBFSENK-SNVBAGLBSA-N 0 0 395.305 2.755 10 0 GFAERN Cc1cc(C)nc(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000001361547 212239033 /nfs/dbraw/zinc/23/90/33/212239033.db2.gz SKOFPTYNOUPWIN-UHFFFAOYSA-N 0 0 380.901 2.648 10 0 GFAERN O=c1oc2cccnc2n1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027556532 212158469 /nfs/dbraw/zinc/15/84/69/212158469.db2.gz RBRJDOPXFVWFDZ-UHFFFAOYSA-N 0 0 378.354 2.788 10 0 GFAERN O=c1nc2n(Cc3ccccc3Cl)cccc-2c(=O)n1Cc1ccccn1 ZINC000032641863 212109171 /nfs/dbraw/zinc/10/91/71/212109171.db2.gz SWQYSBIUCOEZIC-UHFFFAOYSA-N 0 0 378.819 2.655 10 0 GFAERN O=C(c1n[nH]c2ccccc21)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000328615960 212085939 /nfs/dbraw/zinc/08/59/39/212085939.db2.gz BFTGYMPEVZNTRN-OAHLLOKOSA-N 0 0 377.448 2.852 10 0 GFAERN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc4cccnc43)cc2)C1=O ZINC000012021408 221143775 /nfs/dbraw/zinc/14/37/75/221143775.db2.gz CKHCMKSITTVKRF-CYBMUJFWSA-N 0 0 395.440 2.800 10 0 GFAERN COCCC(=O)NC[C@@H]1Cc2cc(-c3ccnc(SC)n3)cc(Cl)c2O1 ZINC000012051247 221145370 /nfs/dbraw/zinc/14/53/70/221145370.db2.gz DDWWTMQIIZFVOF-ZDUSSCGKSA-N 0 0 393.896 2.975 10 0 GFAERN CSCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000012716924 221220416 /nfs/dbraw/zinc/22/04/16/221220416.db2.gz KXLDGFJQIOHRJH-FQEVSTJZSA-N 0 0 397.544 2.523 10 0 GFAERN NC(=O)c1nc(-c2ccco2)nc2c1[nH]c(=O)n2-c1ccc(Cl)c(Cl)c1 ZINC000013878718 221293290 /nfs/dbraw/zinc/29/32/90/221293290.db2.gz XTKVGYICXHOKJK-UHFFFAOYSA-N 0 0 390.186 2.775 10 0 GFAERN Nc1c(Nc2cc(F)ccc2F)ncnc1N1CCN(c2ccccn2)CC1 ZINC000040799251 132407676 /nfs/dbraw/zinc/40/76/76/132407676.db2.gz RTNDLERXNCSUEC-UHFFFAOYSA-N 0 0 383.406 2.802 10 0 GFAERN CC[C@@H](C)NC(=O)N1CCN(c2cc(-c3cc(F)ccc3OC)ncn2)CC1 ZINC000065008100 136158619 /nfs/dbraw/zinc/15/86/19/136158619.db2.gz QPMHZLBOPBOSEJ-CQSZACIVSA-N 0 0 387.459 2.921 10 0 GFAERN CCOCCCNC(=O)CCc1nc2onc(C)c2c(N2CCC(C)CC2)n1 ZINC000065056422 136158956 /nfs/dbraw/zinc/15/89/56/136158956.db2.gz BEXZQJXRVODRBU-UHFFFAOYSA-N 0 0 389.500 2.638 10 0 GFAERN CCCn1c2ccccc2nc(N2CCN(C(=O)c3ccccc3F)CC2)c1=O ZINC000065113134 136159277 /nfs/dbraw/zinc/15/92/77/136159277.db2.gz JTRCRRNOIAZEEO-UHFFFAOYSA-N 0 0 394.450 2.908 10 0 GFAERN O=C(NC[C@H]1CCCO1)c1csc(N2CCN(c3ccccc3F)CC2)n1 ZINC000096386374 136186674 /nfs/dbraw/zinc/18/66/74/136186674.db2.gz CNJCKTAWJVDMKM-CQSZACIVSA-N 0 0 390.484 2.518 10 0 GFAERN CCO[C@]1(C(=O)Nc2ccc(C)c(I)c2)CCOC1 ZINC000401559271 563535073 /nfs/dbraw/zinc/53/50/73/563535073.db2.gz VUZHFZVWPZERER-CQSZACIVSA-N 0 0 375.206 2.734 10 0 GFAERN Cc1c(Br)c(C(=O)N2CCN(c3ccccc3F)CC2)nn1C ZINC000028304246 221674201 /nfs/dbraw/zinc/67/42/01/221674201.db2.gz JTXGGDASYREART-UHFFFAOYSA-N 0 0 381.249 2.593 10 0 GFAERN CCn1nc(C)c(CCNC(=O)c2cccc(-n3nnc4cccnc43)c2)c1C ZINC000035482564 221825891 /nfs/dbraw/zinc/82/58/91/221825891.db2.gz POTLTOFOGNTNBW-UHFFFAOYSA-N 0 0 389.463 2.621 10 0 GFAERN CC1CCN(C(=O)c2nc(CCS(=O)(=O)c3ccc(Cl)cc3)no2)CC1 ZINC000065117421 222102667 /nfs/dbraw/zinc/10/26/67/222102667.db2.gz KZMBAVMMBRIHEX-UHFFFAOYSA-N 0 0 397.884 2.612 10 0 GFAERN O=C(CSc1ccccc1)N1CCC(c2cc3n(n2)CCCNC3=O)CC1 ZINC000065225721 222112875 /nfs/dbraw/zinc/11/28/75/222112875.db2.gz MOMIGLBEXUJMEJ-UHFFFAOYSA-N 0 0 384.505 2.515 10 0 GFAERN CCN1CCN(C(=O)CCNc2c(-c3ccccc3C)nc3cnccn32)CC1 ZINC000064758962 222080876 /nfs/dbraw/zinc/08/08/76/222080876.db2.gz VOYCPVKWMZFHES-UHFFFAOYSA-N 0 0 392.507 2.671 10 0 GFAERN COCCN=C1Nc2ccccc2CN[C@@]12CCN(C(=O)c1ccc(C)s1)C2 ZINC000065265749 222118959 /nfs/dbraw/zinc/11/89/59/222118959.db2.gz KYLKSKNZOCWZBP-OAQYLSRUSA-N 0 0 398.532 2.711 10 0 GFAERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[C@H]1COc2ccccc2O1 ZINC000095075245 222328572 /nfs/dbraw/zinc/32/85/72/222328572.db2.gz WCTQJDZVRUQAKB-RHSMWYFYSA-N 0 0 376.453 2.684 10 0 GFAERN COc1ccc(CS(=O)(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000095076394 222328590 /nfs/dbraw/zinc/32/85/90/222328590.db2.gz BOUZDJKAERRTIX-HNNXBMFYSA-N 0 0 384.498 2.514 10 0 GFAERN CC(C)(C)OC(=O)N1CC[C@H](CS(=O)(=O)c2cnc3ccccc3n2)C1 ZINC000095084220 222328680 /nfs/dbraw/zinc/32/86/80/222328680.db2.gz TUFZKCCOTUVFDT-ZDUSSCGKSA-N 0 0 377.466 2.661 10 0 GFAERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)OCCO2 ZINC000095075235 222329484 /nfs/dbraw/zinc/32/94/84/222329484.db2.gz NSDDYRHWNQRLRY-OAHLLOKOSA-N 0 0 376.453 2.929 10 0 GFAERN Cn1cc(-c2ccc(CN3c4ccccc4C4(OCCO4)C3=O)c(F)c2)cn1 ZINC000095592367 222358038 /nfs/dbraw/zinc/35/80/38/222358038.db2.gz LUQMRFHPCPWDMX-UHFFFAOYSA-N 0 0 379.391 2.973 10 0 GFAERN CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@H]2C[C@H]3CCC[C@H]3N2C(=O)[C@@H]1C ZINC000097975856 521249659 /nfs/dbraw/zinc/24/96/59/521249659.db2.gz KOVMAAYRBJCASY-FAJAVTLNSA-N 0 0 398.503 2.551 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000028265969 551123655 /nfs/dbraw/zinc/12/36/55/551123655.db2.gz DBOVLKBKECPZKL-CYBMUJFWSA-N 0 0 375.288 2.592 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000044323207 551144170 /nfs/dbraw/zinc/14/41/70/551144170.db2.gz LAZMLUZZAMRPCS-SNVBAGLBSA-N 0 0 391.873 2.922 10 0 GFAERN C[C@H](CNC(=O)N(Cc1cccc(Br)c1)C1CC1)N1CCOCC1 ZINC000046261849 551150153 /nfs/dbraw/zinc/15/01/53/551150153.db2.gz GXGJYCCHOZKDGC-CQSZACIVSA-N 0 0 396.329 2.844 10 0 GFAERN CCn1ccnc1CS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000107075186 551201602 /nfs/dbraw/zinc/20/16/02/551201602.db2.gz DNDJRBLJEGXKRZ-UHFFFAOYSA-N 0 0 387.255 2.509 10 0 GFAERN O=C(CCSc1ccccc1Br)N[C@@H]1CCc2ncnn2C1 ZINC000112650869 551206811 /nfs/dbraw/zinc/20/68/11/551206811.db2.gz KBTQLPUOFOOCCJ-LLVKDONJSA-N 0 0 381.299 2.654 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000116329637 551212382 /nfs/dbraw/zinc/21/23/82/551212382.db2.gz XICGUXAMYIEVGZ-JTQLQIEISA-N 0 0 393.939 2.986 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cs1 ZINC000116351397 551212736 /nfs/dbraw/zinc/21/27/36/551212736.db2.gz WJJWWXFDSSEIDC-UHFFFAOYSA-N 0 0 387.477 2.626 10 0 GFAERN Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116371356 551213488 /nfs/dbraw/zinc/21/34/88/551213488.db2.gz VLXYSGDUXZWJAI-LBPRGKRZSA-N 0 0 384.299 2.669 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)ccc1Br ZINC000119517463 551217183 /nfs/dbraw/zinc/21/71/83/551217183.db2.gz CKLDCOKLTAXXBL-UHFFFAOYSA-N 0 0 391.269 2.825 10 0 GFAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCN2C(=O)NC[C@@H]2C1 ZINC000121238242 551230130 /nfs/dbraw/zinc/23/01/30/551230130.db2.gz ZHXNGBWEXSTZDQ-ZKYQVNSYSA-N 0 0 383.279 2.516 10 0 GFAERN O=C(CCCc1ccccc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000124894878 551319071 /nfs/dbraw/zinc/31/90/71/551319071.db2.gz IXVSUQWFZKGIHM-INIZCTEOSA-N 0 0 392.297 2.896 10 0 GFAERN CN1CCO[C@H](CNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000126117604 551326347 /nfs/dbraw/zinc/32/63/47/551326347.db2.gz JNRHVUWILNSOQQ-OAHLLOKOSA-N 0 0 383.945 2.937 10 0 GFAERN O=C(NCc1ccc(O)c(Br)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000126300537 551328269 /nfs/dbraw/zinc/32/82/69/551328269.db2.gz VPNNUICCUDJPAS-CXAGYDPISA-N 0 0 383.286 2.991 10 0 GFAERN C[C@@H](NC(=O)N1CCN(C(=O)N(C)C)CC1)c1ccccc1Br ZINC000126732710 551332305 /nfs/dbraw/zinc/33/23/05/551332305.db2.gz IGHASEFNJVOHRB-GFCCVEGCSA-N 0 0 383.290 2.519 10 0 GFAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128923572 551353785 /nfs/dbraw/zinc/35/37/85/551353785.db2.gz FJORVGJPJLFZRB-NSHDSACASA-N 0 0 392.424 2.607 10 0 GFAERN O=C(CSc1nncn1-c1cccc(Cl)c1)N[C@H]1CCCC[C@H]1CO ZINC000151041012 551406301 /nfs/dbraw/zinc/40/63/01/551406301.db2.gz UZONJEIFCITCRN-WFASDCNBSA-N 0 0 380.901 2.680 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(Br)cc1 ZINC000151245965 551409794 /nfs/dbraw/zinc/40/97/94/551409794.db2.gz BYHILGLBGXUKCJ-CYBMUJFWSA-N 0 0 379.258 2.633 10 0 GFAERN CCn1cnnc1C1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000152190782 551428052 /nfs/dbraw/zinc/42/80/52/551428052.db2.gz LRRVAXCKCZBMNB-UHFFFAOYSA-N 0 0 392.301 2.879 10 0 GFAERN Cc1ccc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c(Br)n1 ZINC000152493614 551434224 /nfs/dbraw/zinc/43/42/24/551434224.db2.gz IRBPXOZWALYTDS-ZDUSSCGKSA-N 0 0 390.285 2.684 10 0 GFAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000152606417 551436385 /nfs/dbraw/zinc/43/63/85/551436385.db2.gz MWUCPIGIZYGGMI-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN CN(c1cccnn1)C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000152960346 551443731 /nfs/dbraw/zinc/44/37/31/551443731.db2.gz FPZSXOVDFNIEJP-UHFFFAOYSA-N 0 0 391.269 2.686 10 0 GFAERN CN(C)C(=O)[C@H]1CCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000153727622 551459726 /nfs/dbraw/zinc/45/97/26/551459726.db2.gz OHZVXKLTHSONAO-MRXNPFEDSA-N 0 0 389.297 2.959 10 0 GFAERN CCOCCOc1ccc(Br)cc1CN1CCC[C@H](NC(C)=O)C1 ZINC000153910809 551462977 /nfs/dbraw/zinc/46/29/77/551462977.db2.gz GESIKLNDAIVXAP-KRWDZBQOSA-N 0 0 399.329 2.965 10 0 GFAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000155224928 551494948 /nfs/dbraw/zinc/49/49/48/551494948.db2.gz SNVBIEOKKVNLJL-JSGCOSHPSA-N 0 0 380.432 2.625 10 0 GFAERN Cc1cccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1Br ZINC000155621643 551504001 /nfs/dbraw/zinc/50/40/01/551504001.db2.gz GDEGQLCRKVLZCM-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)o1 ZINC000156638738 551526248 /nfs/dbraw/zinc/52/62/48/551526248.db2.gz BXCQYLSBTXNSPF-GZMMTYOYSA-N 0 0 389.260 2.767 10 0 GFAERN C[C@@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000157999312 551545533 /nfs/dbraw/zinc/54/55/33/551545533.db2.gz KHWIZROLNBJKAC-IAQYHMDHSA-N 0 0 387.705 2.895 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000158496352 551552939 /nfs/dbraw/zinc/55/29/39/551552939.db2.gz MRHATIPUSVSQDV-ZYHUDNBSSA-N 0 0 376.400 2.904 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3ccc(Br)nc3)C2)n1 ZINC000166225055 551631581 /nfs/dbraw/zinc/63/15/81/551631581.db2.gz AYWXGUMPFBQYKQ-CYBMUJFWSA-N 0 0 393.289 2.997 10 0 GFAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2cc(Br)ccc2F)cn1 ZINC000171431983 551655690 /nfs/dbraw/zinc/65/56/90/551655690.db2.gz UZAAQNBIHWQKFO-ZDUSSCGKSA-N 0 0 388.262 2.848 10 0 GFAERN C[C@@H](NC(=O)c1cnc(-c2ccco2)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000171522027 551657380 /nfs/dbraw/zinc/65/73/80/551657380.db2.gz HGLPLYMWOZGYDS-SNVBAGLBSA-N 0 0 377.447 2.542 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CCS1 ZINC000171568505 551658054 /nfs/dbraw/zinc/65/80/54/551658054.db2.gz UQOOAZLHBFJQCH-QMMMGPOBSA-N 0 0 396.303 2.569 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000171636154 551659927 /nfs/dbraw/zinc/65/99/27/551659927.db2.gz VFEHWZZBUIIYCD-SNVBAGLBSA-N 0 0 390.296 2.568 10 0 GFAERN COc1ccc(CCC(=O)N2CCC[C@H](n3cncn3)C2)cc1Br ZINC000171664523 551660411 /nfs/dbraw/zinc/66/04/11/551660411.db2.gz MBRBJOAPDUYRFU-AWEZNQCLSA-N 0 0 393.285 2.846 10 0 GFAERN COC(=O)C[C@H](NC(=O)Cc1cc(C)on1)c1cccc(Br)c1 ZINC000172113985 551670705 /nfs/dbraw/zinc/67/07/05/551670705.db2.gz ZRJWRPUEPBTMDZ-AWEZNQCLSA-N 0 0 381.226 2.709 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1nc2c(s1)COCC2)c1ccc(F)c(Cl)c1 ZINC000172300453 551675537 /nfs/dbraw/zinc/67/55/37/551675537.db2.gz FANCBPPQWWJFEH-MRVPVSSYSA-N 0 0 383.832 2.824 10 0 GFAERN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@H](N2CCOCC2)C1 ZINC000172744073 551686427 /nfs/dbraw/zinc/68/64/27/551686427.db2.gz KAROJQBJIXFQLS-LBPRGKRZSA-N 0 0 396.260 2.616 10 0 GFAERN C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000173083850 551694777 /nfs/dbraw/zinc/69/47/77/551694777.db2.gz DTVXSDUXIFRRBB-SJKOYZFVSA-N 0 0 376.503 2.542 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3csc(-c4cccs4)n3)CCO2)[nH]1 ZINC000173573578 552088277 /nfs/dbraw/zinc/08/82/77/552088277.db2.gz XMFCXTMUXVPGTN-LLVKDONJSA-N 0 0 375.479 2.766 10 0 GFAERN C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@H]1N1CCOCC1 ZINC000173818005 552092409 /nfs/dbraw/zinc/09/24/09/552092409.db2.gz BJCOIVUAPXBUQO-RHSMWYFYSA-N 0 0 393.325 2.660 10 0 GFAERN CC[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000173826027 552093190 /nfs/dbraw/zinc/09/31/90/552093190.db2.gz BFFZMMJQXZHALC-WDEREUQCSA-N 0 0 380.436 2.633 10 0 GFAERN C[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@H]1N1CCOCC1 ZINC000173967955 552096479 /nfs/dbraw/zinc/09/64/79/552096479.db2.gz WUABVHGAYPCCGT-UKRRQHHQSA-N 0 0 377.535 2.568 10 0 GFAERN COc1cc(NC(=O)N2CCC[C@@H](n3cncn3)C2)ccc1Br ZINC000175015299 552113590 /nfs/dbraw/zinc/11/35/90/552113590.db2.gz XRYLREVYPMIHKV-GFCCVEGCSA-N 0 0 380.246 2.918 10 0 GFAERN Cc1cc(Br)ccc1CNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175774659 552129088 /nfs/dbraw/zinc/12/90/88/552129088.db2.gz DCSOZTJUENOQFD-WMLDXEAASA-N 0 0 396.329 2.620 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)[C@@H]1CCCO1 ZINC000175951129 552132525 /nfs/dbraw/zinc/13/25/25/552132525.db2.gz KILGJFZNXQTJEW-KRTXAFLBSA-N 0 0 393.640 2.864 10 0 GFAERN CSc1ccc(NC(=O)C(=O)N[C@H]2CCCn3nc(C)nc32)cc1Cl ZINC000176019542 552134195 /nfs/dbraw/zinc/13/41/95/552134195.db2.gz UODTXYYDSNVGCE-LBPRGKRZSA-N 0 0 379.873 2.552 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc(Br)cc3C)CCO2)[nH]1 ZINC000176967265 552148296 /nfs/dbraw/zinc/14/82/96/552148296.db2.gz SGICBOASRNOVAJ-ZDUSSCGKSA-N 0 0 380.246 2.789 10 0 GFAERN C[C@H]1CN(C(=O)Nc2cc(Br)ccc2F)C[C@H]1N1CCOCC1 ZINC000177849661 552159758 /nfs/dbraw/zinc/15/97/58/552159758.db2.gz YNNQAENSHCIWGQ-XHDPSFHLSA-N 0 0 386.265 2.773 10 0 GFAERN Cc1c(I)cccc1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177979582 552162054 /nfs/dbraw/zinc/16/20/54/552162054.db2.gz GUYACMAAVJORIC-CYBMUJFWSA-N 0 0 384.261 2.910 10 0 GFAERN O=C(Nc1cccnc1Br)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000178496996 552171174 /nfs/dbraw/zinc/17/11/74/552171174.db2.gz AZKWKSDNZUBREM-LLVKDONJSA-N 0 0 396.266 2.884 10 0 GFAERN O=C(Nc1cccnc1Br)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000178497009 552171377 /nfs/dbraw/zinc/17/13/77/552171377.db2.gz AZKWKSDNZUBREM-NSHDSACASA-N 0 0 396.266 2.884 10 0 GFAERN Cc1cc(S(=O)(=O)NCCNC(=O)N[C@@H](C)c2cccs2)c(C)s1 ZINC000178887276 552178549 /nfs/dbraw/zinc/17/85/49/552178549.db2.gz AGWMJYFEUIVFHG-NSHDSACASA-N 0 0 387.552 2.765 10 0 GFAERN COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1I ZINC000179244970 552187940 /nfs/dbraw/zinc/18/79/40/552187940.db2.gz MOEUTHAOLXKDPI-DGCLKSJQSA-N 0 0 389.233 2.581 10 0 GFAERN Cn1c(CSCCCOc2ccc(S(C)(=O)=O)cc2)nnc1C1CC1 ZINC000179827205 552203999 /nfs/dbraw/zinc/20/39/99/552203999.db2.gz YTDMKIPKLMRODQ-UHFFFAOYSA-N 0 0 381.523 2.798 10 0 GFAERN Cc1nc(S(=O)(=O)N2CCSc3ncccc32)sc1Br ZINC000180084838 552212661 /nfs/dbraw/zinc/21/26/61/552212661.db2.gz ZSTRAHQVHDBZQX-UHFFFAOYSA-N 0 0 392.325 2.910 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cccc(C)c3Cl)CCO2)n1 ZINC000180286385 552220775 /nfs/dbraw/zinc/22/07/75/552220775.db2.gz PHWRGUYZXQMADZ-OAHLLOKOSA-N 0 0 383.901 2.551 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cccc(C)c3Cl)CCO2)n1 ZINC000180286360 552220882 /nfs/dbraw/zinc/22/08/82/552220882.db2.gz PHWRGUYZXQMADZ-HNNXBMFYSA-N 0 0 383.901 2.551 10 0 GFAERN CN(C)S(=O)(=O)CCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180346839 552223587 /nfs/dbraw/zinc/22/35/87/552223587.db2.gz QRIJCOWEARVXSH-HNNXBMFYSA-N 0 0 378.416 2.554 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000180614351 552231031 /nfs/dbraw/zinc/23/10/31/552231031.db2.gz IPORJEICILCNPW-MRVPVSSYSA-N 0 0 375.380 2.580 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1cc(Br)ccc1=O)[C@H](C)C2 ZINC000181222603 552250151 /nfs/dbraw/zinc/25/01/51/552250151.db2.gz MMRLTKIWRZKJAZ-KZULUSFZSA-N 0 0 375.266 2.969 10 0 GFAERN COCCN1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@@H]1C ZINC000182553557 552287033 /nfs/dbraw/zinc/28/70/33/552287033.db2.gz DPLSUYHXFDZHGC-JTQLQIEISA-N 0 0 392.244 2.912 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2cccnc2Br)C1 ZINC000183244020 552303752 /nfs/dbraw/zinc/30/37/52/552303752.db2.gz FRMKAXRCOYFTKH-LLVKDONJSA-N 0 0 379.262 2.867 10 0 GFAERN C[C@H](NC(=O)NCc1cccc(N2CCCS2(=O)=O)c1)c1cccs1 ZINC000183957657 552323975 /nfs/dbraw/zinc/32/39/75/552323975.db2.gz FIDNVJRATPJFBS-ZDUSSCGKSA-N 0 0 379.507 2.848 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cc(C)c(F)cc2F)C12CCOCC2 ZINC000185146768 552355146 /nfs/dbraw/zinc/35/51/46/552355146.db2.gz GDUIIASIBIVJRN-CVEARBPZSA-N 0 0 375.437 2.526 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C)c(F)cc2F)C12CCOCC2 ZINC000185146750 552355151 /nfs/dbraw/zinc/35/51/51/552355151.db2.gz GDUIIASIBIVJRN-HZPDHXFCSA-N 0 0 375.437 2.526 10 0 GFAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000185153403 552355992 /nfs/dbraw/zinc/35/59/92/552355992.db2.gz WHAUKHDRVHFAQJ-UONOGXRCSA-N 0 0 386.901 2.594 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000186657205 552393972 /nfs/dbraw/zinc/39/39/72/552393972.db2.gz DBQHDIWTFGVGCX-LBPRGKRZSA-N 0 0 387.249 2.599 10 0 GFAERN O=C(CCCNC(=O)c1ccsc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187631393 552420931 /nfs/dbraw/zinc/42/09/31/552420931.db2.gz RKMOLLUIOYJGSZ-HOTGVXAUSA-N 0 0 378.519 2.554 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000187622414 552420932 /nfs/dbraw/zinc/42/09/32/552420932.db2.gz IXHQDGJYZFHRHH-QGZVFWFLSA-N 0 0 392.253 2.803 10 0 GFAERN Cc1ncc(CN2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)s1 ZINC000187679483 552421879 /nfs/dbraw/zinc/42/18/79/552421879.db2.gz MIRSQXMEUOZZTG-CQSZACIVSA-N 0 0 379.551 2.734 10 0 GFAERN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000187813515 552424804 /nfs/dbraw/zinc/42/48/04/552424804.db2.gz CQKRVMNMIWAHIK-HOTGVXAUSA-N 0 0 398.345 2.742 10 0 GFAERN Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000188084486 552433911 /nfs/dbraw/zinc/43/39/11/552433911.db2.gz JKYXYSXGHNDHLS-CQSZACIVSA-N 0 0 375.222 2.946 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cc(Br)sc1C ZINC000188202854 552439022 /nfs/dbraw/zinc/43/90/22/552439022.db2.gz RHXHUSXXJULXAF-GFCCVEGCSA-N 0 0 382.301 2.535 10 0 GFAERN Cc1noc([C@H]2COCCN2CC2=Cc3cc(Br)ccc3OC2)n1 ZINC000188466845 552445422 /nfs/dbraw/zinc/44/54/22/552445422.db2.gz SFHUZDYHENCALM-OAHLLOKOSA-N 0 0 392.253 2.990 10 0 GFAERN O=C(CCCc1ccccc1Br)N1CC(NC(=O)C2CCC2)C1 ZINC000188519269 552447041 /nfs/dbraw/zinc/44/70/41/552447041.db2.gz TVDNTAHMMIODAY-UHFFFAOYSA-N 0 0 379.298 2.899 10 0 GFAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000189064865 552461825 /nfs/dbraw/zinc/46/18/25/552461825.db2.gz ITNMFYPUWJSVNS-DGCLKSJQSA-N 0 0 376.400 2.570 10 0 GFAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Cl)CCO2)cn1 ZINC000189227386 552465935 /nfs/dbraw/zinc/46/59/35/552465935.db2.gz KVCMFXJKUSFLQO-ZDUSSCGKSA-N 0 0 390.292 2.972 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CCOc2ccccc2Br)C1 ZINC000189327669 552468770 /nfs/dbraw/zinc/46/87/70/552468770.db2.gz YPRSCXUOFVYYER-GXTWGEPZSA-N 0 0 382.258 2.981 10 0 GFAERN Cc1cc(Br)ccc1SCC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189403268 552471046 /nfs/dbraw/zinc/47/10/46/552471046.db2.gz NXZOZEIICJBRST-UHFFFAOYSA-N 0 0 383.311 2.587 10 0 GFAERN CCOc1ccc(NC(=O)NC[C@@H](C)N2CCOCC2)cc1Br ZINC000189489062 552473082 /nfs/dbraw/zinc/47/30/82/552473082.db2.gz WIXPTURHSKSSLI-GFCCVEGCSA-N 0 0 386.290 2.690 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1cccc(Br)c1 ZINC000189975347 552484533 /nfs/dbraw/zinc/48/45/33/552484533.db2.gz ZPMZBIXZZOORJT-GLQYFDAESA-N 0 0 384.270 2.985 10 0 GFAERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000190654374 552504992 /nfs/dbraw/zinc/50/49/92/552504992.db2.gz MPTYWBWUBFOPSQ-TZMCWYRMSA-N 0 0 387.343 2.970 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Cc3cc(Br)ccc3F)CCO2)cn1 ZINC000191736897 552536586 /nfs/dbraw/zinc/53/65/86/552536586.db2.gz LZFFYENLCAPYSL-MRXNPFEDSA-N 0 0 396.260 2.947 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)c3cc(Br)ccc3O)CCO2)cn1 ZINC000191729917 552536615 /nfs/dbraw/zinc/53/66/15/552536615.db2.gz TVDUVEPCOCMKBD-OAHLLOKOSA-N 0 0 380.242 2.585 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)c3ccc(Br)cc3OC)CCO2)cn1 ZINC000191799414 552538554 /nfs/dbraw/zinc/53/85/54/552538554.db2.gz VBCCYFDQPUCVLU-MRXNPFEDSA-N 0 0 394.269 2.888 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(Br)c(F)cc1F)CC2 ZINC000192119732 552551767 /nfs/dbraw/zinc/55/17/67/552551767.db2.gz JRTYMJZXJWYXML-QMMMGPOBSA-N 0 0 385.212 2.626 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCc2ccc(Br)cc2)C1 ZINC000192378321 552561416 /nfs/dbraw/zinc/56/14/16/552561416.db2.gz GVOYYJBOEUMXCP-UONOGXRCSA-N 0 0 395.257 2.812 10 0 GFAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc2sc3ccccc3c2s1 ZINC000192709964 552971785 /nfs/dbraw/zinc/97/17/85/552971785.db2.gz TXFMVOYJVRFOQP-LBPRGKRZSA-N 0 0 376.503 2.539 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000193942930 553007777 /nfs/dbraw/zinc/00/77/77/553007777.db2.gz MJIYVLZKROBUBW-MRXNPFEDSA-N 0 0 378.475 2.588 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)[C@H]2Cc3cc(Br)ccc3O2)cn1 ZINC000194257864 553015912 /nfs/dbraw/zinc/01/59/12/553015912.db2.gz MQLCTQKPNDMCGO-GDBMZVCRSA-N 0 0 376.254 2.850 10 0 GFAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCO[C@@H](c2nccs2)C1 ZINC000194291030 553016885 /nfs/dbraw/zinc/01/68/85/553016885.db2.gz KQSAKANNJXGHKI-ZIAGYGMSSA-N 0 0 395.278 2.809 10 0 GFAERN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)[C@H]1CNC(=O)C1 ZINC000194814991 553030762 /nfs/dbraw/zinc/03/07/62/553030762.db2.gz SVCHAIIATRDART-SJKOYZFVSA-N 0 0 391.240 2.930 10 0 GFAERN C[C@H](NC(=O)NCCc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000195273793 553043826 /nfs/dbraw/zinc/04/38/26/553043826.db2.gz DQCSXXMJYRCNQF-LBPRGKRZSA-N 0 0 381.885 2.590 10 0 GFAERN CCN1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000233494850 553067237 /nfs/dbraw/zinc/06/72/37/553067237.db2.gz PEHGXZNNFULHCF-SNVBAGLBSA-N 0 0 381.723 2.865 10 0 GFAERN O=S(=O)(c1ccc(Br)s1)N1CC[C@H](Oc2ccccn2)C1 ZINC000238968375 553087406 /nfs/dbraw/zinc/08/74/06/553087406.db2.gz ZELFOFFHDRSNGL-JTQLQIEISA-N 0 0 389.296 2.748 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245724541 553095382 /nfs/dbraw/zinc/09/53/82/553095382.db2.gz IENBPTVOCBSBPD-KFWWJZLASA-N 0 0 383.330 2.541 10 0 GFAERN Cc1nc(C[C@H]2CCCN([C@@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000245920822 553099789 /nfs/dbraw/zinc/09/97/89/553099789.db2.gz UAVGPVNANRRQEJ-MLGOLLRUSA-N 0 0 393.285 2.622 10 0 GFAERN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246373751 553106922 /nfs/dbraw/zinc/10/69/22/553106922.db2.gz HOUQRBORTXGFQU-XNJGSVPQSA-N 0 0 386.323 2.973 10 0 GFAERN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246464187 553108067 /nfs/dbraw/zinc/10/80/67/553108067.db2.gz NPODOVBSXMNSEQ-PBFPGSCMSA-N 0 0 386.323 2.973 10 0 GFAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000247015752 553117381 /nfs/dbraw/zinc/11/73/81/553117381.db2.gz OUNAYPZDHQNIHO-BVPBIZIASA-N 0 0 393.325 2.732 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@H]1C ZINC000249109027 553139694 /nfs/dbraw/zinc/13/96/94/553139694.db2.gz RBZLKRWNMUUXKO-ZJUUUORDSA-N 0 0 392.244 2.646 10 0 GFAERN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000252352931 553149047 /nfs/dbraw/zinc/14/90/47/553149047.db2.gz OHBXYPBITHSZBL-GXTWGEPZSA-N 0 0 383.279 2.918 10 0 GFAERN CCc1cc(=O)n2nc(NCCOc3cccc(Br)c3)sc2n1 ZINC000261375059 553153337 /nfs/dbraw/zinc/15/33/37/553153337.db2.gz NTAQQLVSLUFVMR-UHFFFAOYSA-N 0 0 395.282 2.967 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000263465248 553188095 /nfs/dbraw/zinc/18/80/95/553188095.db2.gz CMQNLPHDMIQQER-CYBMUJFWSA-N 0 0 380.794 2.576 10 0 GFAERN O=S(=O)(Cc1ccccc1)NC[C@H]1Cn2c(-c3ccccc3)cnc2CO1 ZINC000096296427 560060321 /nfs/dbraw/zinc/06/03/21/560060321.db2.gz SJRFWOWYCADWBN-SFHVURJKSA-N 0 0 383.473 2.569 10 0 GFAERN CSc1ccc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nn1 ZINC000301269568 563398702 /nfs/dbraw/zinc/39/87/02/563398702.db2.gz GONZXCUNEHFUKW-UHFFFAOYSA-N 0 0 378.523 2.605 10 0 GFAERN CCOc1cc(CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)ccn1 ZINC000301383979 563401982 /nfs/dbraw/zinc/40/19/82/563401982.db2.gz WARUNYOSRMYWAP-UHFFFAOYSA-N 0 0 375.372 2.759 10 0 GFAERN O=S(=O)(/C=C/c1ccccc1)N1CCN(c2nc(C3CC3)ns2)CC1 ZINC000301512193 563406161 /nfs/dbraw/zinc/40/61/61/563406161.db2.gz FOHMAYYPMKAEHR-MDWZMJQESA-N 0 0 376.507 2.538 10 0 GFAERN CCCc1nnc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)s1 ZINC000301657373 563409330 /nfs/dbraw/zinc/40/93/30/563409330.db2.gz IORCCPMUVCTLTF-UHFFFAOYSA-N 0 0 392.959 2.716 10 0 GFAERN COC(=O)CN1CCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1 ZINC000302047966 563419195 /nfs/dbraw/zinc/41/91/95/563419195.db2.gz YYJJBSJHFUSGDP-UHFFFAOYSA-N 0 0 398.688 2.946 10 0 GFAERN Cc1ccccc1C(=O)N1CCc2n[nH]c(C(=O)NCc3ccc(F)cc3)c2C1 ZINC000034789804 570336178 /nfs/dbraw/zinc/33/61/78/570336178.db2.gz IWFWVJLUSSEZHA-UHFFFAOYSA-N 0 0 392.434 2.986 10 0 GFAERN CC(C)Cn1c2nnc(CCC(=O)NC3CCCC3)n2c2ccsc2c1=O ZINC000035528605 570393268 /nfs/dbraw/zinc/39/32/68/570393268.db2.gz JKDTYNXOVJOUAI-UHFFFAOYSA-N 0 0 387.509 2.753 10 0 GFAERN Cn1c(=O)cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000005008077 570394037 /nfs/dbraw/zinc/39/40/37/570394037.db2.gz MUJAEUUOIYGGFT-UHFFFAOYSA-N 0 0 382.441 2.676 10 0 GFAERN COCCNC(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 ZINC000006833403 570409078 /nfs/dbraw/zinc/40/90/78/570409078.db2.gz MFLZUHOJFNIELM-MRXNPFEDSA-N 0 0 380.872 2.604 10 0 GFAERN CCCS(=O)(=O)N1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 ZINC000328606278 570411414 /nfs/dbraw/zinc/41/14/14/570411414.db2.gz QXIZFHPYJQTGKK-VQIMIIECSA-N 0 0 375.494 2.754 10 0 GFAERN CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000032971193 570553946 /nfs/dbraw/zinc/55/39/46/570553946.db2.gz ICQGRWFZFIOBPE-UHFFFAOYSA-N 0 0 395.525 2.601 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)c1ccc(Cl)s1 ZINC000041757523 654630989 /nfs/dbraw/zinc/63/09/89/654630989.db2.gz CMTJQFXYQXLCBQ-JTQLQIEISA-N 0 0 375.841 2.798 10 0 GFAERN CN(C(=O)Cc1ccc(Br)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000121983839 654727117 /nfs/dbraw/zinc/72/71/17/654727117.db2.gz ISQNWGLMXWYVFK-INIZCTEOSA-N 0 0 389.297 2.909 10 0 GFAERN CN(C(=O)c1ccc(Br)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122293450 654732577 /nfs/dbraw/zinc/73/25/77/654732577.db2.gz CRGMQBIPGJLCJP-HNNXBMFYSA-N 0 0 375.270 2.980 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCS1 ZINC000122878178 654745644 /nfs/dbraw/zinc/74/56/44/654745644.db2.gz CKQYJIOGYIRVAW-ZETCQYMHSA-N 0 0 379.226 2.630 10 0 GFAERN O=c1c(Br)nn(CN2CCO[C@H]3CCCC[C@@H]32)c2ccccc12 ZINC000123792002 654763758 /nfs/dbraw/zinc/76/37/58/654763758.db2.gz NCWHUNPLDRQYBI-GJZGRUSLSA-N 0 0 378.270 2.760 10 0 GFAERN C[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000057197623 654802725 /nfs/dbraw/zinc/80/27/25/654802725.db2.gz NBHCMDJEVLNSFK-FZMZJTMJSA-N 0 0 384.274 2.644 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000126236935 654811049 /nfs/dbraw/zinc/81/10/49/654811049.db2.gz ZIMPUSWEEJUKIM-MRXNPFEDSA-N 0 0 384.929 2.692 10 0 GFAERN COc1ccc(Br)cc1S(=O)(=O)N[C@H]1COc2ccccc21 ZINC000058507127 654819065 /nfs/dbraw/zinc/81/90/65/654819065.db2.gz OJGLBRSXWGMURM-LBPRGKRZSA-N 0 0 384.251 2.870 10 0 GFAERN CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000134284026 654989197 /nfs/dbraw/zinc/98/91/97/654989197.db2.gz UTMYAYRPYSYBNJ-NVXWUHKLSA-N 0 0 395.341 2.951 10 0 GFAERN COc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)cn1 ZINC000070955618 654997215 /nfs/dbraw/zinc/99/72/15/654997215.db2.gz AWKAVRJIOANSOO-SNVBAGLBSA-N 0 0 378.226 2.669 10 0 GFAERN Cc1nc2nc(=S)n(CN3CCO[C@H](c4nccs4)C3)n2c(C)c1C ZINC000152233424 655057293 /nfs/dbraw/zinc/05/72/93/655057293.db2.gz LLHHVHRWEGWEDK-ZDUSSCGKSA-N 0 0 376.511 2.673 10 0 GFAERN CO[C@H](C(=O)Nc1nc(Cc2n[nH]c(=S)n2C)cs1)c1ccccc1 ZINC000103187789 655068788 /nfs/dbraw/zinc/06/87/88/655068788.db2.gz DBTQKDLPUITDRP-ZDUSSCGKSA-N 0 0 375.479 2.851 10 0 GFAERN C[C@@H](OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1C(F)(F)F ZINC000103675674 655075041 /nfs/dbraw/zinc/07/50/41/655075041.db2.gz SNDGBGOXZWXGFA-NEPJUHHUSA-N 0 0 379.400 2.981 10 0 GFAERN CCn1ccnc1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000106436059 655108943 /nfs/dbraw/zinc/10/89/43/655108943.db2.gz BYGXYXFJWIEHAK-INIZCTEOSA-N 0 0 377.242 2.633 10 0 GFAERN O=C1C(=O)N(CN2CC[C@]3(O)CCCC[C@@H]3C2)c2ccc(Br)cc21 ZINC000164931223 655138952 /nfs/dbraw/zinc/13/89/52/655138952.db2.gz PONHKBJFSQMIQM-KZULUSFZSA-N 0 0 393.281 2.563 10 0 GFAERN COC(=O)[C@H]1C[C@@H]1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000108997071 655140195 /nfs/dbraw/zinc/14/01/95/655140195.db2.gz ZORGMWGBTUZFLH-KBPBESRZSA-N 0 0 385.291 2.883 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)CSc3ccccc3Cl)CC2)cn1 ZINC000109659187 655150148 /nfs/dbraw/zinc/15/01/48/655150148.db2.gz DXWMTIIBWSYURG-UHFFFAOYSA-N 0 0 378.929 2.900 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000109666273 655150228 /nfs/dbraw/zinc/15/02/28/655150228.db2.gz AAJLSJIXMVVOIO-UHFFFAOYSA-N 0 0 382.295 2.642 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3cccc(Br)c3)CCO2)n1 ZINC000110901671 655161686 /nfs/dbraw/zinc/16/16/86/655161686.db2.gz HXUDWYZJHDVQED-KRWDZBQOSA-N 0 0 392.297 2.733 10 0 GFAERN CC(C)(C(=O)N1CCO[C@@H](Cn2cccn2)C1)c1cccc(Br)c1 ZINC000111083114 655164145 /nfs/dbraw/zinc/16/41/45/655164145.db2.gz CJZYCAHILQFLPD-MRXNPFEDSA-N 0 0 392.297 2.851 10 0 GFAERN O=C(CCc1cc(Br)cs1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111084962 655164216 /nfs/dbraw/zinc/16/42/16/655164216.db2.gz GAIUJVJBMJCNEL-ZDUSSCGKSA-N 0 0 384.299 2.567 10 0 GFAERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111080714 655164234 /nfs/dbraw/zinc/16/42/34/655164234.db2.gz GPSBCEOJIAYWLC-BLLLJJGKSA-N 0 0 384.263 2.885 10 0 GFAERN Cc1ncc(CN2CCN(Cn3nc(N4CCCC4)sc3=S)CC2)s1 ZINC000111165232 655165830 /nfs/dbraw/zinc/16/58/30/655165830.db2.gz LMLVTUADNMJIRL-UHFFFAOYSA-N 0 0 396.611 2.815 10 0 GFAERN CCc1csc([C@H]2CCCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C2)n1 ZINC000173283792 655167426 /nfs/dbraw/zinc/16/74/26/655167426.db2.gz VHPBSYIPYNQYFU-ZDUSSCGKSA-N 0 0 387.571 2.808 10 0 GFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Br)cs2)ncn1 ZINC000173441291 655172811 /nfs/dbraw/zinc/17/28/11/655172811.db2.gz NWACWTPLYYDQHH-LLVKDONJSA-N 0 0 396.314 2.741 10 0 GFAERN O=C(NCCc1nc(C(F)(F)F)cs1)N1CCO[C@H](c2nccs2)C1 ZINC000173555516 655174911 /nfs/dbraw/zinc/17/49/11/655174911.db2.gz OFTVAHWRQGYHFG-VIFPVBQESA-N 0 0 392.428 2.944 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O)c1cccs1 ZINC000174581739 655204182 /nfs/dbraw/zinc/20/41/82/655204182.db2.gz QIWWQLGUAXUSCM-SECBINFHSA-N 0 0 386.882 2.621 10 0 GFAERN CC(C)[C@H](C)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000174746479 655207189 /nfs/dbraw/zinc/20/71/89/655207189.db2.gz MZAMHAULWHRXNU-AWEZNQCLSA-N 0 0 387.571 2.809 10 0 GFAERN Cc1c(C(=O)O[C@H](C)[C@@H]2CCOC2)nnn1-c1cccc(Br)c1 ZINC000175250981 655216452 /nfs/dbraw/zinc/21/64/52/655216452.db2.gz AFPOWGDKLBRWNU-VXGBXAGGSA-N 0 0 380.242 2.920 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000175307079 655219595 /nfs/dbraw/zinc/21/95/95/655219595.db2.gz AIXLRWXIRWGSAQ-LBPRGKRZSA-N 0 0 377.819 2.862 10 0 GFAERN CSC(C)(C)CNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000175512888 655221871 /nfs/dbraw/zinc/22/18/71/655221871.db2.gz CECCLVPNEOUBPU-HNNXBMFYSA-N 0 0 377.535 2.941 10 0 GFAERN C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000175613881 655223840 /nfs/dbraw/zinc/22/38/40/655223840.db2.gz NYELOGAHDQNQIB-SUMWQHHRSA-N 0 0 386.323 2.898 10 0 GFAERN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000175709890 655225490 /nfs/dbraw/zinc/22/54/90/655225490.db2.gz AHHCJOMKZWSLTP-SMDDNHRTSA-N 0 0 391.269 2.901 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(Br)c(F)c1)CC2 ZINC000114948116 655230723 /nfs/dbraw/zinc/23/07/23/655230723.db2.gz BXEVSFGEDHXNHU-LLVKDONJSA-N 0 0 396.264 2.556 10 0 GFAERN O=C(CCNS(=O)(=O)c1cccs1)N1CCCC[C@@H]1c1nccs1 ZINC000115366518 655236207 /nfs/dbraw/zinc/23/62/07/655236207.db2.gz ZBNPOQUHMCSTNG-GFCCVEGCSA-N 0 0 385.536 2.627 10 0 GFAERN COc1nc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ncc1Br ZINC000176230436 655240664 /nfs/dbraw/zinc/24/06/64/655240664.db2.gz MAHOLLNUJCTJPA-VIFPVBQESA-N 0 0 386.271 2.824 10 0 GFAERN COc1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc(OC)c1Br ZINC000116112639 655243950 /nfs/dbraw/zinc/24/39/50/655243950.db2.gz PPZBDWXKDMDUSL-NSHDSACASA-N 0 0 394.269 2.830 10 0 GFAERN O=C(NCCc1cc(Br)ccc1F)N[C@H]1CCCn2ncnc21 ZINC000176454602 655246137 /nfs/dbraw/zinc/24/61/37/655246137.db2.gz BYXGGJBUZOKRFQ-ZDUSSCGKSA-N 0 0 382.237 2.557 10 0 GFAERN O=C(CNC(=O)c1cccc(Br)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000176463445 655246427 /nfs/dbraw/zinc/24/64/27/655246427.db2.gz JKMMTCSCBJOUDM-HNNXBMFYSA-N 0 0 391.269 2.656 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3F)C2)n1 ZINC000116900106 655256255 /nfs/dbraw/zinc/25/62/55/655256255.db2.gz ZPQCERAUMAGJCU-CYBMUJFWSA-N 0 0 386.880 2.788 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)NCc1ccc(Br)cc1Oc1ccccc1 ZINC000117263003 655262732 /nfs/dbraw/zinc/26/27/32/655262732.db2.gz IJUXYJNSNITPJX-LLVKDONJSA-N 0 0 392.253 2.914 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2csc(-c3cccs3)n2)C[C@H]1C ZINC000117278990 655262900 /nfs/dbraw/zinc/26/29/00/655262900.db2.gz FHBKCJSXTDTRNP-CQSZACIVSA-N 0 0 379.551 2.983 10 0 GFAERN COCCN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@H]1C ZINC000117294559 655263528 /nfs/dbraw/zinc/26/35/28/655263528.db2.gz DQEJCPZFDLLAFP-GFCCVEGCSA-N 0 0 380.286 2.723 10 0 GFAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000117521867 655265428 /nfs/dbraw/zinc/26/54/28/655265428.db2.gz CDZMZNOTLUFRDH-LBPRGKRZSA-N 0 0 388.295 2.501 10 0 GFAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1CCOC ZINC000117526251 655265444 /nfs/dbraw/zinc/26/54/44/655265444.db2.gz XPUFTLSDEJUMGE-CYBMUJFWSA-N 0 0 388.295 2.501 10 0 GFAERN O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177521747 655279371 /nfs/dbraw/zinc/27/93/71/655279371.db2.gz HUAXBBWFROBDAC-GFCCVEGCSA-N 0 0 386.260 2.989 10 0 GFAERN O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177552070 655281126 /nfs/dbraw/zinc/28/11/26/655281126.db2.gz DPZFWVPKKSQBOQ-CABZTGNLSA-N 0 0 376.787 2.547 10 0 GFAERN O=C(Nc1ccc(Br)nc1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000178113472 655298022 /nfs/dbraw/zinc/29/80/22/655298022.db2.gz ZTOHRVGRVXBOIM-UHFFFAOYSA-N 0 0 378.270 2.724 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cc(C)ccc3Br)CC2)no1 ZINC000178255642 655300697 /nfs/dbraw/zinc/30/06/97/655300697.db2.gz ZBLLTLRMXSSSGM-UHFFFAOYSA-N 0 0 393.285 2.797 10 0 GFAERN O=C(Nc1ccccc1Br)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000119644893 655309807 /nfs/dbraw/zinc/30/98/07/655309807.db2.gz ZYQCYPCQJDSTNB-UHFFFAOYSA-N 0 0 391.269 2.523 10 0 GFAERN Cc1nc(Br)ccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000179604647 655314889 /nfs/dbraw/zinc/31/48/89/655314889.db2.gz QWKMVCYSONERDJ-JTQLQIEISA-N 0 0 388.221 2.776 10 0 GFAERN COc1ccc([C@H](C)OC(=O)c2cc(C(N)=O)cn2C)c(Br)c1 ZINC000179967859 655319991 /nfs/dbraw/zinc/31/99/91/655319991.db2.gz OEFNGURZPJVXSL-VIFPVBQESA-N 0 0 381.226 2.813 10 0 GFAERN CCc1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)n(C)n1 ZINC000119943561 655322187 /nfs/dbraw/zinc/32/21/87/655322187.db2.gz BZPIPBXHWNWAAQ-JTQLQIEISA-N 0 0 379.258 2.561 10 0 GFAERN CC(=O)c1cc(S(=O)(=O)N[C@H](CO)c2ccccc2)ccc1Br ZINC000180321429 655325465 /nfs/dbraw/zinc/32/54/65/655325465.db2.gz JSONJJDWYBPQRQ-MRXNPFEDSA-N 0 0 398.278 2.664 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000120154420 655329400 /nfs/dbraw/zinc/32/94/00/655329400.db2.gz AJFLNLUCQGSLKG-FZMZJTMJSA-N 0 0 393.285 2.942 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccnc1Br)c1ccc(F)c(F)c1 ZINC000181353078 655335816 /nfs/dbraw/zinc/33/58/16/655335816.db2.gz TXIVMVKMALTNKW-QMMMGPOBSA-N 0 0 384.180 2.938 10 0 GFAERN COc1cccc([C@H]2C[C@@H]2C(=O)OCCn2cc(Br)ccc2=O)c1 ZINC000181367771 655336289 /nfs/dbraw/zinc/33/62/89/655336289.db2.gz HWYNVMMNZYWCTI-CVEARBPZSA-N 0 0 392.249 2.966 10 0 GFAERN O=C(OC1CCC1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183647014 655352772 /nfs/dbraw/zinc/35/27/72/655352772.db2.gz MYSWJQPXHCZTOE-INIZCTEOSA-N 0 0 377.487 2.959 10 0 GFAERN O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@H]1CCn2ccnc2C1 ZINC000328639226 655386985 /nfs/dbraw/zinc/38/69/85/655386985.db2.gz WTLHTYNCMHHUNX-XYYIANASSA-N 0 0 396.310 2.798 10 0 GFAERN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1Br)c1nnnn1C1CC1 ZINC000190467094 655392303 /nfs/dbraw/zinc/39/23/03/655392303.db2.gz SRXBUFHCGIGFJF-VHSXEESVSA-N 0 0 379.262 2.892 10 0 GFAERN C[C@@H]1C(=O)NCCCN1Cn1nc(Cc2c(F)cccc2Cl)oc1=S ZINC000190709464 655394409 /nfs/dbraw/zinc/39/44/09/655394409.db2.gz RHPGTEPTSSYGSW-SNVBAGLBSA-N 0 0 384.864 2.757 10 0 GFAERN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c(Cl)n1 ZINC000193949339 655413331 /nfs/dbraw/zinc/41/33/31/655413331.db2.gz ARYXMEHENOKOOZ-SMDDNHRTSA-N 0 0 388.823 2.818 10 0 GFAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]1Cn1ccnc1 ZINC000194385514 655415435 /nfs/dbraw/zinc/41/54/35/655415435.db2.gz CXDXCYYSESJMPO-GDBMZVCRSA-N 0 0 376.254 2.640 10 0 GFAERN O=c1c(Cl)c(Cl)cnn1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195498348 655420964 /nfs/dbraw/zinc/42/09/64/655420964.db2.gz MJVZCLCVXPZDAG-GFCCVEGCSA-N 0 0 383.283 2.663 10 0 GFAERN CC[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000246487937 655430143 /nfs/dbraw/zinc/43/01/43/655430143.db2.gz RQIUUXITPRUMJJ-CSMYWGQOSA-N 0 0 389.323 2.721 10 0 GFAERN O=S(=O)(/C=C\c1cccc(Br)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000255188332 655437597 /nfs/dbraw/zinc/43/75/97/655437597.db2.gz NWULPACXDPADFJ-DDJMYBDESA-N 0 0 397.298 2.678 10 0 GFAERN CC[C@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)/C=C\c1ccccc1 ZINC000255660674 655440090 /nfs/dbraw/zinc/44/00/90/655440090.db2.gz VBSDSVZKQIDMLR-LKBMAGLMSA-N 0 0 379.503 2.829 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000262945490 655448047 /nfs/dbraw/zinc/44/80/47/655448047.db2.gz IFKHXMQVOZYECB-GFCCVEGCSA-N 0 0 395.308 2.553 10 0 GFAERN C[C@@H](O)[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 ZINC000721587988 655524913 /nfs/dbraw/zinc/52/49/13/655524913.db2.gz NRDBMVAURUVCGG-RNFRBKRXSA-N 0 0 398.038 2.553 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000760648833 655988896 /nfs/dbraw/zinc/98/88/96/655988896.db2.gz DJIRBVCLDVYWCE-QQBNSCQMSA-N 0 0 382.873 2.503 10 0 GFAERN C[C@@H](C(=O)N[C@H]1CCc2ncsc2C1)N1C(=S)N=NC1c1cccs1 ZINC000910832475 664229097 /nfs/dbraw/zinc/22/90/97/664229097.db2.gz ALUONOAUOFDGSF-UWVGGRQHSA-N 0 0 391.547 2.987 10 0 GFAERN O=C(COc1cccc(Cl)c1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000220343752 222600463 /nfs/dbraw/zinc/60/04/63/222600463.db2.gz XRWFUKWQKGRWDG-IBGZPJMESA-N 0 0 375.856 2.791 10 0 GFAERN Cc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001254061 212231939 /nfs/dbraw/zinc/23/19/39/212231939.db2.gz HVFDBPXVJYTPLW-QGZVFWFLSA-N 0 0 377.487 2.809 10 0 GFAERN COc1cc(C(=O)COC(=O)c2cccnc2)ccc1OC(=O)c1cccnc1 ZINC000003622786 212145955 /nfs/dbraw/zinc/14/59/55/212145955.db2.gz LIBWKUORUVCMDA-UHFFFAOYSA-N 0 0 392.367 2.744 10 0 GFAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000030762034 212117394 /nfs/dbraw/zinc/11/73/94/212117394.db2.gz PMNQWYUYANZREC-KBPBESRZSA-N 0 0 396.417 2.578 10 0 GFAERN COc1ccc(Cl)cc1CN(Cc1cn2c(n1)CCCC2)S(C)(=O)=O ZINC000328626555 212086808 /nfs/dbraw/zinc/08/68/08/212086808.db2.gz LVQDZVFFXIZHBM-UHFFFAOYSA-N 0 0 383.901 2.843 10 0 GFAERN CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(c2ccccc2C)=NO1 ZINC000006872211 220973179 /nfs/dbraw/zinc/97/31/79/220973179.db2.gz YCEVGJBSXGNEGR-SFTDATJTSA-N 0 0 393.487 2.742 10 0 GFAERN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)C1=O ZINC000012021527 221143953 /nfs/dbraw/zinc/14/39/53/221143953.db2.gz XLUNXSKBINLDFJ-UONOGXRCSA-N 0 0 384.457 2.591 10 0 GFAERN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1 ZINC000012202774 221166716 /nfs/dbraw/zinc/16/67/16/221166716.db2.gz CCJGMZIWEAFLII-AWEZNQCLSA-N 0 0 384.457 2.870 10 0 GFAERN CSc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)cc1 ZINC000012385941 221187437 /nfs/dbraw/zinc/18/74/37/221187437.db2.gz GDYWRQVWQZFWAJ-QGZVFWFLSA-N 0 0 389.565 2.815 10 0 GFAERN O=C(NCc1ccc(F)cc1)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724189 221340899 /nfs/dbraw/zinc/34/08/99/221340899.db2.gz PBGLQNPAVOOKHO-UHFFFAOYSA-N 0 0 378.407 2.889 10 0 GFAERN CCCCOc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)c1 ZINC000020594839 221502441 /nfs/dbraw/zinc/50/24/41/221502441.db2.gz VIEHTEYJTWGVSM-UHFFFAOYSA-N 0 0 398.492 2.964 10 0 GFAERN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2)c1ccccc1 ZINC000020724335 221508221 /nfs/dbraw/zinc/50/82/21/221508221.db2.gz GBSFBYHUOAGPRK-QKKBWIMNSA-N 0 0 397.500 2.880 10 0 GFAERN Cc1cc(F)ccc1NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226681 136160408 /nfs/dbraw/zinc/16/04/08/136160408.db2.gz MHKRYBJCDMJMFF-UHFFFAOYSA-N 0 0 399.470 2.616 10 0 GFAERN CC1CCN(c2ncc3c(n2)CC[C@@H](C(=O)NCCc2ccncc2)C3)CC1 ZINC000065289499 136162663 /nfs/dbraw/zinc/16/26/63/136162663.db2.gz NPZRYNJDAZDWKP-GOSISDBHSA-N 0 0 379.508 2.572 10 0 GFAERN Cc1cc(C)c2c(n1)nc(C(=O)NCc1ccccn1)nc2N1CCCCC1 ZINC000065307648 136162865 /nfs/dbraw/zinc/16/28/65/136162865.db2.gz CMGWZZXGIJYLBE-UHFFFAOYSA-N 0 0 376.464 2.957 10 0 GFAERN COc1cc(NC(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc(OC)c1 ZINC000224305168 136206674 /nfs/dbraw/zinc/20/66/74/136206674.db2.gz CRQROIVUDAPWBC-UHFFFAOYSA-N 0 0 387.440 2.591 10 0 GFAERN CC(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000027983844 221663319 /nfs/dbraw/zinc/66/33/19/221663319.db2.gz DHJOVQVUVRXSMR-HNNXBMFYSA-N 0 0 377.462 2.899 10 0 GFAERN CCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC[C@H](C)O)cc2)n1 ZINC000036145771 221844882 /nfs/dbraw/zinc/84/48/82/221844882.db2.gz JLNZQTTXCMXOFN-ZDUSSCGKSA-N 0 0 382.420 2.854 10 0 GFAERN CCCCOc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 ZINC000040803692 221932254 /nfs/dbraw/zinc/93/22/54/221932254.db2.gz RXQCBQYEDBVFFB-UHFFFAOYSA-N 0 0 383.857 2.965 10 0 GFAERN COCc1nn2c(nc(COC(=O)c3ccc(C(C)(C)C)cc3)cc2=O)s1 ZINC000041077317 221936289 /nfs/dbraw/zinc/93/62/89/221936289.db2.gz YFFZSDPEXMUVIX-UHFFFAOYSA-N 0 0 387.461 2.952 10 0 GFAERN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(C)cc2F)c2ccccc2N1 ZINC000064661229 222076972 /nfs/dbraw/zinc/07/69/72/222076972.db2.gz PFPYXBDPGBQBHJ-UHFFFAOYSA-N 0 0 397.406 2.978 10 0 GFAERN CCCn1c2nn(CC(=O)c3ccccc3)c(=O)n2c2cc(Cl)ccc2c1=O ZINC000064860794 222084868 /nfs/dbraw/zinc/08/48/68/222084868.db2.gz PDTGJZNXVHSMQV-UHFFFAOYSA-N 0 0 396.834 2.757 10 0 GFAERN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@H](C)C(=O)NCCC(C)C)c2=O ZINC000064971192 222090349 /nfs/dbraw/zinc/09/03/49/222090349.db2.gz QBGYGHGTCGZNMF-MRXNPFEDSA-N 0 0 381.480 2.922 10 0 GFAERN C[C@H](NS(=O)(=O)c1cc2c(cc1Cl)n(C)c(=O)n2C)c1ccccc1 ZINC000064976631 222090994 /nfs/dbraw/zinc/09/09/94/222090994.db2.gz GPHZVHBXVQOJOQ-NSHDSACASA-N 0 0 379.869 2.570 10 0 GFAERN CCn1c(=O)c(C(=O)NCc2ccccc2C(F)(F)F)nc2cccnc21 ZINC000065282765 222120159 /nfs/dbraw/zinc/12/01/59/222120159.db2.gz LEFHPYNVWMRFLS-UHFFFAOYSA-N 0 0 376.338 2.760 10 0 GFAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000065281799 222121065 /nfs/dbraw/zinc/12/10/65/222121065.db2.gz ZIIRXUWNVFBIHS-FQEVSTJZSA-N 0 0 387.505 2.631 10 0 GFAERN CC(C)[C@H]1CN(C(=O)CCn2ccnc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000072121759 222207359 /nfs/dbraw/zinc/20/73/59/222207359.db2.gz LKYSRXKYNABWNG-LJQANCHMSA-N 0 0 386.471 2.698 10 0 GFAERN COc1ccc(CS(=O)(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC000095076397 222329052 /nfs/dbraw/zinc/32/90/52/222329052.db2.gz BRFYCDLAKBJXIN-MRXNPFEDSA-N 0 0 398.525 2.904 10 0 GFAERN COc1ccc(CS(=O)(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000095076396 222329262 /nfs/dbraw/zinc/32/92/62/222329262.db2.gz SXCGUPNYGFSCJT-UHFFFAOYSA-N 0 0 384.498 2.514 10 0 GFAERN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000095075568 222329439 /nfs/dbraw/zinc/32/94/39/222329439.db2.gz NMJSSLMRLKKEED-UHFFFAOYSA-N 0 0 393.509 2.714 10 0 GFAERN Cc1cc(Cl)nc(S(=O)(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000095090492 222330770 /nfs/dbraw/zinc/33/07/70/222330770.db2.gz QFCDMNXHVNSOBL-LLVKDONJSA-N 0 0 375.878 2.612 10 0 GFAERN O=C1CC[C@]2(CCCN(c3nc4ccccc4n3CCO)C2)CN1CC1CC1 ZINC000077358799 222278906 /nfs/dbraw/zinc/27/89/06/222278906.db2.gz JTTDSQCDHHQBOQ-QFIPXVFZSA-N 0 0 382.508 2.648 10 0 GFAERN CCOC(=O)c1cn2cc(I)cc(Br)c2n1 ZINC000309515281 528284508 /nfs/dbraw/zinc/28/45/08/528284508.db2.gz UEDOXZNBVKMXCF-UHFFFAOYSA-N 0 0 394.994 2.878 10 0 GFAERN C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 ZINC000024688553 551119506 /nfs/dbraw/zinc/11/95/06/551119506.db2.gz YUBSJXPTXBUFLV-SNVBAGLBSA-N 0 0 398.282 2.979 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000110415844 551204626 /nfs/dbraw/zinc/20/46/26/551204626.db2.gz XYPCMYDMEOSVTK-VHSXEESVSA-N 0 0 382.239 2.715 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CCS1 ZINC000114043278 551208609 /nfs/dbraw/zinc/20/86/09/551208609.db2.gz KSRVGIJRKSIDMF-VIFPVBQESA-N 0 0 380.363 2.669 10 0 GFAERN Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116371360 551213315 /nfs/dbraw/zinc/21/33/15/551213315.db2.gz VLXYSGDUXZWJAI-GFCCVEGCSA-N 0 0 384.299 2.669 10 0 GFAERN CCc1ccc([C@H](C)NC(=O)NCCNS(=O)(=O)c2cccs2)cc1 ZINC000119662236 551218323 /nfs/dbraw/zinc/21/83/23/551218323.db2.gz PNZKMGBFNFIKTQ-ZDUSSCGKSA-N 0 0 381.523 2.649 10 0 GFAERN C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000120012587 551219081 /nfs/dbraw/zinc/21/90/81/551219081.db2.gz UWAJTIKKGILWHC-GFCCVEGCSA-N 0 0 378.881 2.896 10 0 GFAERN C[C@@H]1COC[C@@H](C)N1Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000120760055 551221509 /nfs/dbraw/zinc/22/15/09/551221509.db2.gz KYORCMKJLJZMRB-NXEZZACHSA-N 0 0 375.782 2.944 10 0 GFAERN CCc1noc([C@H](C)N2CCN(Cc3cc(O)ccc3Br)CC2)n1 ZINC000121407020 551233759 /nfs/dbraw/zinc/23/37/59/551233759.db2.gz OCRQDCZVXOPQFN-LBPRGKRZSA-N 0 0 395.301 2.979 10 0 GFAERN O=S(=O)(Cc1ccc(Br)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000121648246 551238760 /nfs/dbraw/zinc/23/87/60/551238760.db2.gz OQBGODHQSWYNDB-MRXNPFEDSA-N 0 0 397.294 2.827 10 0 GFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cccc(F)c1I ZINC000123617733 551307325 /nfs/dbraw/zinc/30/73/25/551307325.db2.gz OEYSKVDXOMYATD-QMMMGPOBSA-N 0 0 378.185 2.530 10 0 GFAERN O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000121928195 551292433 /nfs/dbraw/zinc/29/24/33/551292433.db2.gz NPJUYTVPKARKTK-JTQLQIEISA-N 0 0 390.228 2.666 10 0 GFAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000122718395 551301291 /nfs/dbraw/zinc/30/12/91/551301291.db2.gz WUXDSLILSMVCAC-NEPJUHHUSA-N 0 0 375.922 2.939 10 0 GFAERN O=C(CCCc1ccccc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000123144253 551303587 /nfs/dbraw/zinc/30/35/87/551303587.db2.gz MQUXFWHADLCKGQ-INIZCTEOSA-N 0 0 381.314 2.705 10 0 GFAERN Cc1csc(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)NCc2nc(C)cs2)n1 ZINC000128606834 551351064 /nfs/dbraw/zinc/35/10/64/551351064.db2.gz LCCKEVOQVWHINA-BETUJISGSA-N 0 0 378.523 2.565 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000130652651 551367902 /nfs/dbraw/zinc/36/79/02/551367902.db2.gz LBJDFVZZWXFFJC-CVEARBPZSA-N 0 0 385.913 2.846 10 0 GFAERN COc1ccc(Cl)cc1CNC(=O)C[S@@](=O)Cc1nccn1C(C)C ZINC000131251747 551373236 /nfs/dbraw/zinc/37/32/36/551373236.db2.gz ZFICPTORYJRMDJ-RUZDIDTESA-N 0 0 383.901 2.691 10 0 GFAERN COc1ccc(Cl)cc1CNC(=O)C[S@](=O)Cc1nccn1C(C)C ZINC000131251536 551373549 /nfs/dbraw/zinc/37/35/49/551373549.db2.gz ZFICPTORYJRMDJ-VWLOTQADSA-N 0 0 383.901 2.691 10 0 GFAERN CC(C)n1ccnc1C[S@](=O)CC(=O)NCCOc1cccc(Cl)c1 ZINC000131253102 551373620 /nfs/dbraw/zinc/37/36/20/551373620.db2.gz GWZNSQWPZBRXQS-RUZDIDTESA-N 0 0 383.901 2.561 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)cc1OC ZINC000151186394 551408628 /nfs/dbraw/zinc/40/86/28/551408628.db2.gz DOQTUAQRGXEYKB-GFCCVEGCSA-N 0 0 379.258 2.877 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)COc1cccc(Br)c1 ZINC000151227956 551409390 /nfs/dbraw/zinc/40/93/90/551409390.db2.gz LMRDXMWFRMMQHH-CYBMUJFWSA-N 0 0 379.258 2.633 10 0 GFAERN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000151376394 551412623 /nfs/dbraw/zinc/41/26/23/551412623.db2.gz DVNVIJWZPFYRPR-IINYFYTJSA-N 0 0 396.264 2.945 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(Br)cc3F)CCO2)[nH]1 ZINC000151992329 551424435 /nfs/dbraw/zinc/42/44/35/551424435.db2.gz ZLXWJEKKHXJLNG-LBPRGKRZSA-N 0 0 398.236 2.874 10 0 GFAERN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1C ZINC000152229530 551428782 /nfs/dbraw/zinc/42/87/82/551428782.db2.gz UAZKIBQFGLTOGM-LKFCYVNXSA-N 0 0 391.269 2.715 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(Br)c(O)c2)C1 ZINC000153466053 551453130 /nfs/dbraw/zinc/45/31/30/551453130.db2.gz RZCHBAWJFNRMGC-GFCCVEGCSA-N 0 0 379.258 2.786 10 0 GFAERN Cc1ccc(Br)c(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000155219460 551494648 /nfs/dbraw/zinc/49/46/48/551494648.db2.gz MKBHRBFADCCKGH-CYBMUJFWSA-N 0 0 375.270 2.946 10 0 GFAERN O=S(=O)(c1ccc(Cl)c2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000155324437 551497595 /nfs/dbraw/zinc/49/75/95/551497595.db2.gz SKCLBUDABHUKKI-AWEZNQCLSA-N 0 0 380.897 2.588 10 0 GFAERN O=C(CSc1nncn1-c1cccc(Cl)c1)NC[C@@H]1CCCC[C@@H]1O ZINC000155938821 551511287 /nfs/dbraw/zinc/51/12/87/551511287.db2.gz QMGITRKWCGOSFM-WFASDCNBSA-N 0 0 380.901 2.680 10 0 GFAERN O=S(=O)(c1ccc(F)cc1F)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158488197 551552402 /nfs/dbraw/zinc/55/24/02/551552402.db2.gz FQLQPLINLNKQFU-NHYWBVRUSA-N 0 0 375.343 2.740 10 0 GFAERN CCn1c(C)nnc1CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161727796 551597508 /nfs/dbraw/zinc/59/75/08/551597508.db2.gz SCLZBMKVPGVXAU-UHFFFAOYSA-N 0 0 396.308 2.826 10 0 GFAERN Cc1cc(Cl)c(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000164112067 551624070 /nfs/dbraw/zinc/62/40/70/551624070.db2.gz JDRYKSBJUAEMKE-LLVKDONJSA-N 0 0 381.263 2.990 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1nnc2n1CCCC2 ZINC000165551299 551629483 /nfs/dbraw/zinc/62/94/83/551629483.db2.gz IUVHEILXPFRVIG-SECBINFHSA-N 0 0 382.251 2.737 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(Br)cnc1Cl)CC2 ZINC000171299879 551651842 /nfs/dbraw/zinc/65/18/42/551651842.db2.gz WCLQMTOOHCLVDT-SNVBAGLBSA-N 0 0 398.692 2.957 10 0 GFAERN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]1c1cnn(C)c1 ZINC000171413357 551655336 /nfs/dbraw/zinc/65/53/36/551655336.db2.gz PKTOWMXSNXQZQR-QGZVFWFLSA-N 0 0 391.313 2.978 10 0 GFAERN C[C@H](NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccs1 ZINC000171968714 551667861 /nfs/dbraw/zinc/66/78/61/551667861.db2.gz LVXJTGXRBJOJNK-JTQLQIEISA-N 0 0 399.460 2.670 10 0 GFAERN COC(=O)C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(Br)c1 ZINC000172142213 551671235 /nfs/dbraw/zinc/67/12/35/551671235.db2.gz CWCKJFNIBCGYIT-BARDWOONSA-N 0 0 397.269 2.672 10 0 GFAERN C[C@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000173804443 552091846 /nfs/dbraw/zinc/09/18/46/552091846.db2.gz ADBRDXMXMLYSNZ-WMLDXEAASA-N 0 0 381.314 2.561 10 0 GFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)CC1CCCCC1 ZINC000175212916 552117994 /nfs/dbraw/zinc/11/79/94/552117994.db2.gz LPMPIPFPRLZRGX-KRWDZBQOSA-N 0 0 386.583 2.963 10 0 GFAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CCCC[C@@H]3c3nccs3)cc12 ZINC000175378184 552120761 /nfs/dbraw/zinc/12/07/61/552120761.db2.gz CEFMVDTYPLCMCT-CQSZACIVSA-N 0 0 377.495 2.649 10 0 GFAERN O=C(NC[C@H](O)CN1CCOCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000176438666 552140388 /nfs/dbraw/zinc/14/03/88/552140388.db2.gz OXARENOLVGYSKJ-NSHDSACASA-N 0 0 389.304 2.631 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000177003998 552149501 /nfs/dbraw/zinc/14/95/01/552149501.db2.gz PQVCQBOKRIWQKY-GFCCVEGCSA-N 0 0 378.351 2.558 10 0 GFAERN Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H]1CCCC[C@H]1O ZINC000177176352 552151340 /nfs/dbraw/zinc/15/13/40/552151340.db2.gz RMBYXOBYUZQMQS-NWDGAFQWSA-N 0 0 389.677 2.769 10 0 GFAERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3cc(Br)cn(C)c3=O)C2)c1 ZINC000177979920 552162154 /nfs/dbraw/zinc/16/21/54/552162154.db2.gz OOPHQAAJLFEHFK-CYBMUJFWSA-N 0 0 394.273 2.522 10 0 GFAERN O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1COc2ccccc21 ZINC000178032445 552162663 /nfs/dbraw/zinc/16/26/63/552162663.db2.gz NUTZLEHLYCBVAM-HUUCEWRRSA-N 0 0 377.238 2.915 10 0 GFAERN C[C@@H](N1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000178268141 552167885 /nfs/dbraw/zinc/16/78/85/552167885.db2.gz PJSQCPNQXYVGAC-CZUORRHYSA-N 0 0 380.838 2.786 10 0 GFAERN CNC(=O)[C@H](NC(=O)CCc1cc(Cl)ccc1Br)C(C)C ZINC000178725846 552174479 /nfs/dbraw/zinc/17/44/79/552174479.db2.gz NNVLANWZRGONRO-CQSZACIVSA-N 0 0 375.694 2.922 10 0 GFAERN CNC(=O)[C@H](NC(=O)COc1ccc2cc(Br)ccc2c1)C(C)C ZINC000178850846 552177049 /nfs/dbraw/zinc/17/70/49/552177049.db2.gz BXOUTQFLYHYHPY-QGZVFWFLSA-N 0 0 393.281 2.868 10 0 GFAERN COC(=O)C1CCC(C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000179474611 552194472 /nfs/dbraw/zinc/19/44/72/552194472.db2.gz IVXIABKYOMPILZ-UHFFFAOYSA-N 0 0 384.270 2.924 10 0 GFAERN Cn1c(CS(=O)(=O)c2nc(-c3ccc(F)cc3)cs2)nnc1C1CC1 ZINC000179619235 552197698 /nfs/dbraw/zinc/19/76/98/552197698.db2.gz APGOHQNPGGYMRQ-UHFFFAOYSA-N 0 0 378.454 2.929 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)C[C@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC000179836313 552204532 /nfs/dbraw/zinc/20/45/32/552204532.db2.gz CEUVASSZEQBHIR-KRWDZBQOSA-N 0 0 379.913 2.873 10 0 GFAERN C[C@H](NC(=O)NC[C@H]1COC2(CCOCC2)O1)c1ccccc1Br ZINC000180219918 552217880 /nfs/dbraw/zinc/21/78/80/552217880.db2.gz TXSGRMANFMDXTJ-STQMWFEESA-N 0 0 399.285 2.731 10 0 GFAERN COC(=O)C1CCC(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000180378067 552224711 /nfs/dbraw/zinc/22/47/11/552224711.db2.gz LOEJMEXVNGEECK-UHFFFAOYSA-N 0 0 375.252 2.863 10 0 GFAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1ccnc(Cl)c1I ZINC000181969235 552271776 /nfs/dbraw/zinc/27/17/76/552271776.db2.gz JABRIHVRVWYZPX-SCZZXKLOSA-N 0 0 394.640 2.621 10 0 GFAERN C[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)c1cccs1 ZINC000182353181 552281509 /nfs/dbraw/zinc/28/15/09/552281509.db2.gz DFVCOYDUJYKBFN-HIFRSBDPSA-N 0 0 385.555 2.845 10 0 GFAERN O=C(Nc1cc(F)c(Br)c(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000182496836 552285469 /nfs/dbraw/zinc/28/54/69/552285469.db2.gz QXVUVMIQZGWDIU-LLVKDONJSA-N 0 0 390.228 2.666 10 0 GFAERN COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000182634193 552289600 /nfs/dbraw/zinc/28/96/00/552289600.db2.gz MLXKWMFTLOTJDZ-CABCVRRESA-N 0 0 385.302 2.993 10 0 GFAERN COc1ccc(C(=O)N2CCC[C@H]2Cn2ccnc2C)nc1Br ZINC000183233567 552303306 /nfs/dbraw/zinc/30/33/06/552303306.db2.gz SESRSWDDMHHAEX-LBPRGKRZSA-N 0 0 379.258 2.662 10 0 GFAERN CC(C)n1nnnc1C[S@](=O)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000183437549 552309169 /nfs/dbraw/zinc/30/91/69/552309169.db2.gz KNTWSJQBDJEGLP-RUZDIDTESA-N 0 0 384.889 2.560 10 0 GFAERN Cc1cc2cc(C(=O)N[C@H]3CCc4ncnn4C3)oc2c(Br)c1 ZINC000183572496 552313536 /nfs/dbraw/zinc/31/35/36/552313536.db2.gz RUZOQBKMHYXAIW-NSHDSACASA-N 0 0 375.226 2.840 10 0 GFAERN C[C@@H](NC(=O)NCc1cccc(N2CCCS2(=O)=O)c1)c1cccs1 ZINC000183957673 552324059 /nfs/dbraw/zinc/32/40/59/552324059.db2.gz FIDNVJRATPJFBS-CYBMUJFWSA-N 0 0 379.507 2.848 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)NC[C@@H](C)c3nccs3)CC2)cs1 ZINC000184230926 552330694 /nfs/dbraw/zinc/33/06/94/552330694.db2.gz ILAUDMPIJJUPQT-CYBMUJFWSA-N 0 0 379.555 2.929 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cncnc1N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000184427180 552335278 /nfs/dbraw/zinc/33/52/78/552335278.db2.gz QOUXGGKSROJJFM-VIFPVBQESA-N 0 0 382.251 2.665 10 0 GFAERN O=C(NCCN1CCOCC1)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000184780713 552344132 /nfs/dbraw/zinc/34/41/32/552344132.db2.gz KYUJWCFPQHAUNK-NVXWUHKLSA-N 0 0 387.307 2.910 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(C)c(F)cc2F)C12CCOCC2 ZINC000185146711 552355489 /nfs/dbraw/zinc/35/54/89/552355489.db2.gz GDUIIASIBIVJRN-JKSUJKDBSA-N 0 0 375.437 2.526 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)C12CCOCC2 ZINC000185157151 552356007 /nfs/dbraw/zinc/35/60/07/552356007.db2.gz GMAMRXKMGYEVOP-HOTGVXAUSA-N 0 0 391.892 2.873 10 0 GFAERN COCC(=O)NC1CN(C(=O)c2cc(Cl)ccc2SC2CCCC2)C1 ZINC000185293881 552360461 /nfs/dbraw/zinc/36/04/61/552360461.db2.gz VUZJKLBLDCYWAJ-UHFFFAOYSA-N 0 0 382.913 2.962 10 0 GFAERN Cc1ccc(CCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000185557051 552365529 /nfs/dbraw/zinc/36/55/29/552365529.db2.gz HGHXYFOXKVQGTO-QAPCUYQASA-N 0 0 395.341 2.869 10 0 GFAERN COC(=O)C[C@H](NC(=O)NCCOC(C)C)c1cccc(Br)c1 ZINC000185602721 552367132 /nfs/dbraw/zinc/36/71/32/552367132.db2.gz YCHCHLNVJDLZHN-AWEZNQCLSA-N 0 0 387.274 2.778 10 0 GFAERN CCc1csc([C@@H]2CCCN(C(=O)NCCCCCS(C)(=O)=O)C2)n1 ZINC000186263349 552383246 /nfs/dbraw/zinc/38/32/46/552383246.db2.gz OQAQTFSLABXQAT-CQSZACIVSA-N 0 0 387.571 2.809 10 0 GFAERN O=C1C[C@H](N[C@H](c2ccc(Br)cc2)c2cncnc2)CN1C1CC1 ZINC000186284660 552383755 /nfs/dbraw/zinc/38/37/55/552383755.db2.gz KAYHKLKRWYPEAP-MAUKXSAKSA-N 0 0 387.281 2.681 10 0 GFAERN O=C1C[C@@H](N[C@@H](c2ccc(Br)cc2)c2cncnc2)CN1C1CC1 ZINC000186284607 552384006 /nfs/dbraw/zinc/38/40/06/552384006.db2.gz KAYHKLKRWYPEAP-QAPCUYQASA-N 0 0 387.281 2.681 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000186636419 552393133 /nfs/dbraw/zinc/39/31/33/552393133.db2.gz GRTMITJGCPWCHN-UHFFFAOYSA-N 0 0 387.249 2.599 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000186657488 552394294 /nfs/dbraw/zinc/39/42/94/552394294.db2.gz RTBMMAXUXWWZMX-GFCCVEGCSA-N 0 0 387.249 2.599 10 0 GFAERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3cnn(CC(F)F)c3)C2)n1 ZINC000186986177 552403649 /nfs/dbraw/zinc/40/36/49/552403649.db2.gz WFJCRPIBKLQACI-NSHDSACASA-N 0 0 390.481 2.735 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000188186212 552438713 /nfs/dbraw/zinc/43/87/13/552438713.db2.gz CAVTVYOOOQRPLF-CYBMUJFWSA-N 0 0 393.285 2.971 10 0 GFAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000188753487 552454796 /nfs/dbraw/zinc/45/47/96/552454796.db2.gz GMKNRQIJTZMSJS-ZACQAIPSSA-N 0 0 378.881 2.589 10 0 GFAERN CN1CCO[C@@H](CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000189158216 552464505 /nfs/dbraw/zinc/46/45/05/552464505.db2.gz YAUYMOUAHLNARB-LBPRGKRZSA-N 0 0 376.806 2.837 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)Cc2ccc(C)c(Br)c2)n1 ZINC000189860130 552481406 /nfs/dbraw/zinc/48/14/06/552481406.db2.gz ZZSLHFLOGHCJSC-CQSZACIVSA-N 0 0 380.242 2.592 10 0 GFAERN C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190398587 552494802 /nfs/dbraw/zinc/49/48/02/552494802.db2.gz SVIAQYQKZJNXEB-LBPRGKRZSA-N 0 0 394.313 2.690 10 0 GFAERN Cc1cccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)c1Br ZINC000190480840 552498117 /nfs/dbraw/zinc/49/81/17/552498117.db2.gz JZGOAOVEEYTUNC-CQSZACIVSA-N 0 0 378.274 2.896 10 0 GFAERN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc(C)c1Br ZINC000190542013 552500544 /nfs/dbraw/zinc/50/05/44/552500544.db2.gz XITPVCZKJXCFQW-TZMCWYRMSA-N 0 0 383.286 2.672 10 0 GFAERN COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000190892686 552512832 /nfs/dbraw/zinc/51/28/32/552512832.db2.gz IWOZQPLUGGYYDR-DOMZBBRYSA-N 0 0 384.270 2.766 10 0 GFAERN C[C@@H]1OCCC[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000191051305 552517515 /nfs/dbraw/zinc/51/75/15/552517515.db2.gz XEYRYOFMIFFNRN-GXSJLCMTSA-N 0 0 379.263 2.827 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cccc(Br)c3F)CC2)no1 ZINC000192094663 552550848 /nfs/dbraw/zinc/55/08/48/552550848.db2.gz ITGHFANNYSBTFP-UHFFFAOYSA-N 0 0 397.248 2.628 10 0 GFAERN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000193758881 553002162 /nfs/dbraw/zinc/00/21/62/553002162.db2.gz AHFVKDZTJXSPEA-GJZGRUSLSA-N 0 0 381.259 2.903 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC(c2cc[nH]n2)CC1 ZINC000194336277 553017516 /nfs/dbraw/zinc/01/75/16/553017516.db2.gz IVPNFOSVVWSEFP-INIZCTEOSA-N 0 0 376.254 2.882 10 0 GFAERN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)[C@H]1CNC(=O)C1 ZINC000194784419 553029988 /nfs/dbraw/zinc/02/99/88/553029988.db2.gz XLBAXLZBTVJTTN-SNVBAGLBSA-N 0 0 380.267 2.571 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000195274257 553043828 /nfs/dbraw/zinc/04/38/28/553043828.db2.gz XXOHXDYKPLSGRZ-AWEZNQCLSA-N 0 0 375.222 2.946 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000195405501 553047574 /nfs/dbraw/zinc/04/75/74/553047574.db2.gz SYBDREWBNBTEER-LBPRGKRZSA-N 0 0 397.269 2.699 10 0 GFAERN O=C(NC[C@@H]1CCC[C@@H]1O)c1ccc(I)c(Cl)c1 ZINC000226812105 553062202 /nfs/dbraw/zinc/06/22/02/553062202.db2.gz KGJMAXKCAKVNLE-CABZTGNLSA-N 0 0 379.625 2.835 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1F)N1CCO[C@H]2CCCC[C@H]21 ZINC000228765687 553063869 /nfs/dbraw/zinc/06/38/69/553063869.db2.gz NUNYUXCDZVZYQQ-OLZOCXBDSA-N 0 0 378.263 2.920 10 0 GFAERN O=C(c1ccc(F)cc1I)N1CCC[C@@H]1CCCO ZINC000230303387 553065052 /nfs/dbraw/zinc/06/50/52/553065052.db2.gz MDOKKUMAOJQMAV-LLVKDONJSA-N 0 0 377.197 2.807 10 0 GFAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1Cl ZINC000245889397 553098933 /nfs/dbraw/zinc/09/89/33/553098933.db2.gz FGXQRFOPMVESDP-HUUCEWRRSA-N 0 0 390.864 2.770 10 0 GFAERN CC[C@H](Cc1ccccc1Br)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246078332 553102377 /nfs/dbraw/zinc/10/23/77/553102377.db2.gz GAQFNHMQGZYWBO-HRCADAONSA-N 0 0 397.357 2.931 10 0 GFAERN COCCN1CCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000247869948 553125710 /nfs/dbraw/zinc/12/57/10/553125710.db2.gz XIRPPORXKAAKCV-UONOGXRCSA-N 0 0 388.339 2.823 10 0 GFAERN CC(=O)N[C@H](CC(=O)N[C@H]1CCCC[C@H]1CO)c1ccc(Br)cc1 ZINC000248122628 553127677 /nfs/dbraw/zinc/12/76/77/553127677.db2.gz UQLCISWTUXPSGY-BHYGNILZSA-N 0 0 397.313 2.684 10 0 GFAERN CN(Cc1ccccc1Br)C(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248325681 553128392 /nfs/dbraw/zinc/12/83/92/553128392.db2.gz BKWWXZKFKLIRFK-INIZCTEOSA-N 0 0 380.330 2.578 10 0 GFAERN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000248447549 553129987 /nfs/dbraw/zinc/12/99/87/553129987.db2.gz NKUOTAQWTOLEHR-MLGOLLRUSA-N 0 0 384.263 2.805 10 0 GFAERN CCN1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263281097 553185353 /nfs/dbraw/zinc/18/53/53/553185353.db2.gz UGEGBLOHIHQVBC-SOUVJXGZSA-N 0 0 375.822 2.728 10 0 GFAERN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000263383553 553187046 /nfs/dbraw/zinc/18/70/46/553187046.db2.gz CILCZBAJBYQULZ-SECBINFHSA-N 0 0 386.235 2.871 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000263566861 553189605 /nfs/dbraw/zinc/18/96/05/553189605.db2.gz WYQXTTPBYJQBEM-UHFFFAOYSA-N 0 0 378.270 2.983 10 0 GFAERN Cc1nc([C@H]2CCCN2C(=O)[C@@H]2COc3ccc(Br)cc32)no1 ZINC000372855932 563319728 /nfs/dbraw/zinc/31/97/28/563319728.db2.gz KTDFXVFNGUASHJ-CHWSQXEVSA-N 0 0 378.226 2.980 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NCc2ccc(F)cc2Br)ncn1 ZINC000301222276 563396337 /nfs/dbraw/zinc/39/63/37/563396337.db2.gz BDOXZDQZCFNOQP-ZDUSSCGKSA-N 0 0 381.249 2.951 10 0 GFAERN Cc1noc(C)c1CC(=O)N1CCN(c2ncc(Br)cc2C)CC1 ZINC000301634407 563408915 /nfs/dbraw/zinc/40/89/15/563408915.db2.gz VSBYGXXMXVKFJH-UHFFFAOYSA-N 0 0 393.285 2.649 10 0 GFAERN COC(=O)c1cc(N2CC[C@@H](C)[C@H](O)C2)c2cc(Br)ccc2n1 ZINC000301964415 563417506 /nfs/dbraw/zinc/41/75/06/563417506.db2.gz WCXLDDAADXALRQ-QLJPJBMISA-N 0 0 379.254 2.991 10 0 GFAERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ccccc1S(=O)(=O)C(F)(F)F)C2 ZINC000302065443 563419594 /nfs/dbraw/zinc/41/95/94/563419594.db2.gz ASASVRJLPBMHQT-IAQYHMDHSA-N 0 0 377.384 2.760 10 0 GFAERN O=C(NCC1(c2ccc(Br)s2)CCC1)[C@@H]1CCc2n[nH]nc2C1 ZINC000375928135 563423254 /nfs/dbraw/zinc/42/32/54/563423254.db2.gz RJIUINOIXUZESS-SNVBAGLBSA-N 0 0 395.326 2.972 10 0 GFAERN CN(C)c1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CSCCS3)CC2)cn1 ZINC000328633732 563461430 /nfs/dbraw/zinc/46/14/30/563461430.db2.gz MGBQDXDFERSSGN-GDBMZVCRSA-N 0 0 380.583 2.789 10 0 GFAERN O=C(c1csc(I)c1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398807300 563533723 /nfs/dbraw/zinc/53/37/23/563533723.db2.gz UDFJDEPYTPTYQR-ATZCPNFKSA-N 0 0 377.247 2.586 10 0 GFAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cccc(F)c1I ZINC000611154258 566118288 /nfs/dbraw/zinc/11/82/88/566118288.db2.gz DGOQZPKEOGDANT-SKDRFNHKSA-N 0 0 377.197 2.711 10 0 GFAERN CCOC(=O)/C(=C\C(F)(F)F)C[C@H](NC(=O)c1ccccc1)C(=O)OCC ZINC000032629258 570512477 /nfs/dbraw/zinc/51/24/77/570512477.db2.gz HTXXXLHPBYEURZ-FZDNWWAKSA-N 0 0 387.354 2.790 10 0 GFAERN O=C(c1cn2ccccc2n1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000275403507 570692291 /nfs/dbraw/zinc/69/22/91/570692291.db2.gz BESCKIDJVVKKJM-MRXNPFEDSA-N 0 0 377.448 2.623 10 0 GFAERN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000027852257 654566028 /nfs/dbraw/zinc/56/60/28/654566028.db2.gz YYXPNTABYSKTMF-RCBQFDQVSA-N 0 0 384.929 2.875 10 0 GFAERN O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@@H]1COc2ccccc21 ZINC000122843093 654744404 /nfs/dbraw/zinc/74/44/04/654744404.db2.gz GCFMWZOYVRYVIA-CYBMUJFWSA-N 0 0 397.175 2.916 10 0 GFAERN CC(C)(C)OC[C@H](O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000053420332 654746642 /nfs/dbraw/zinc/74/66/42/654746642.db2.gz KMYWBPUKENSBBB-CYBMUJFWSA-N 0 0 391.375 2.804 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)Nc3cc(Br)ccc3F)CCO2)[nH]1 ZINC000126073666 654808520 /nfs/dbraw/zinc/80/85/20/654808520.db2.gz KQCLRORVFBXIDN-GFCCVEGCSA-N 0 0 398.236 2.874 10 0 GFAERN COc1ccc(C(=O)O[C@H](C)[C@@H]2CCOC2)cc1I ZINC000126164001 654809592 /nfs/dbraw/zinc/80/95/92/654809592.db2.gz ONAIUHJIULRMLJ-MWLCHTKSSA-N 0 0 376.190 2.882 10 0 GFAERN O=C(Nc1cncc(Br)c1)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000127192187 654825958 /nfs/dbraw/zinc/82/59/58/654825958.db2.gz KJLRICAKZXDABP-LBPRGKRZSA-N 0 0 395.282 2.993 10 0 GFAERN Cc1nc(NC(=O)N[C@H](C)c2nnc3n2CCCC3)ccc1Br ZINC000128399614 654845832 /nfs/dbraw/zinc/84/58/32/654845832.db2.gz ZHJQGIGPXZDIIF-SNVBAGLBSA-N 0 0 379.262 2.963 10 0 GFAERN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1Cl ZINC000128398497 654845843 /nfs/dbraw/zinc/84/58/43/654845843.db2.gz MSFGXXICULDSHG-AWEZNQCLSA-N 0 0 380.901 2.728 10 0 GFAERN C[C@H](OC(=O)CCC(=O)N1CCOCC1)c1ccc(Br)cc1F ZINC000131173978 654897524 /nfs/dbraw/zinc/89/75/24/654897524.db2.gz MNTIIJKPXUIFDW-NSHDSACASA-N 0 0 388.233 2.831 10 0 GFAERN O=C(Cc1cc(Cl)ccc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000132332304 654933991 /nfs/dbraw/zinc/93/39/91/654933991.db2.gz CXAJVTVQDTXFCQ-AWEZNQCLSA-N 0 0 398.688 2.769 10 0 GFAERN O=S(=O)(c1sccc1Br)N1CC[C@H](Oc2cccnc2)C1 ZINC000132659678 654944743 /nfs/dbraw/zinc/94/47/43/654944743.db2.gz HUCMHDPXCLDCAD-NSHDSACASA-N 0 0 389.296 2.748 10 0 GFAERN O=C(c1cnn2cc(Br)cnc12)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000094148969 655028315 /nfs/dbraw/zinc/02/83/15/655028315.db2.gz GNPFKEDTDANWFS-CYBMUJFWSA-N 0 0 375.230 2.582 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000096368472 655030832 /nfs/dbraw/zinc/03/08/32/655030832.db2.gz XMMAQGBGXPJDTH-SNVBAGLBSA-N 0 0 380.293 2.796 10 0 GFAERN COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000136789318 655035407 /nfs/dbraw/zinc/03/54/07/655035407.db2.gz NOZSFKFVKMMNJM-VIFPVBQESA-N 0 0 386.832 2.626 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccccc2Br)C1 ZINC000101565315 655043997 /nfs/dbraw/zinc/04/39/97/655043997.db2.gz YBCHFRDTAHHFJU-CYBMUJFWSA-N 0 0 382.302 2.768 10 0 GFAERN C[C@H](CNC(=O)NCC(C)(C)c1cccc(Br)c1)N1CCOCC1 ZINC000101980891 655049423 /nfs/dbraw/zinc/04/94/23/655049423.db2.gz WTOILPKYXFNJSH-CQSZACIVSA-N 0 0 398.345 2.747 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000102102350 655050990 /nfs/dbraw/zinc/05/09/90/655050990.db2.gz BSZPYCXWOVNYNU-LLVKDONJSA-N 0 0 386.279 2.839 10 0 GFAERN C[C@@H](NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H]1CCCO1 ZINC000105570244 655095065 /nfs/dbraw/zinc/09/50/65/655095065.db2.gz FRLUHPFKBWVTTC-ZWNOBZJWSA-N 0 0 394.273 2.601 10 0 GFAERN O[C@H](CN1CCC(Nc2cccnn2)CC1)c1cccc(Br)c1 ZINC000106082237 655101975 /nfs/dbraw/zinc/10/19/75/655101975.db2.gz QDCHCRSPSACGLC-MRXNPFEDSA-N 0 0 377.286 2.849 10 0 GFAERN COCCN1CCN([C@H](C)C(=O)Nc2ccc(C)cc2Br)C[C@H]1C ZINC000106108837 655103204 /nfs/dbraw/zinc/10/32/04/655103204.db2.gz WCQHVKCAPMCMOS-HUUCEWRRSA-N 0 0 398.345 2.737 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)C[C@H]2CSCCS2)N2CCOCC2)s1 ZINC000160530710 655123038 /nfs/dbraw/zinc/12/30/38/655123038.db2.gz PJVNBQFELGKZIL-LSDHHAIUSA-N 0 0 386.608 2.785 10 0 GFAERN Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H](C)N1CCOCC1 ZINC000108214840 655129626 /nfs/dbraw/zinc/12/96/26/655129626.db2.gz XOPUBPUVPDVYGH-ZDUSSCGKSA-N 0 0 394.313 2.549 10 0 GFAERN C[C@H](Sc1nnc(N2CCOCC2)s1)C(=O)NCc1ccccc1Cl ZINC000109067987 655141744 /nfs/dbraw/zinc/14/17/44/655141744.db2.gz NDJFJOSVNCKEFW-NSHDSACASA-N 0 0 398.941 2.825 10 0 GFAERN C[C@H](OC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccc(I)cc1 ZINC000171107196 655148858 /nfs/dbraw/zinc/14/88/58/655148858.db2.gz WZRDLZDLZIKMHJ-CMPLNLGQSA-N 0 0 387.217 2.764 10 0 GFAERN O=C(c1cc(Br)ccc1F)N1CCCN(c2cccnn2)CC1 ZINC000109631821 655149283 /nfs/dbraw/zinc/14/92/83/655149283.db2.gz ACAVTNYIWMQJGG-UHFFFAOYSA-N 0 0 379.233 2.731 10 0 GFAERN O=C(c1coc(Br)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000109644970 655149545 /nfs/dbraw/zinc/14/95/45/655149545.db2.gz PQHACEVLIDXWGI-OAHLLOKOSA-N 0 0 379.254 2.534 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3sccc3Br)CC2)no1 ZINC000109923715 655154336 /nfs/dbraw/zinc/15/43/36/655154336.db2.gz SXNOYUHQBZYXIA-UHFFFAOYSA-N 0 0 385.287 2.550 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)COc2cccc(Br)c2)C1 ZINC000110755348 655159640 /nfs/dbraw/zinc/15/96/40/655159640.db2.gz MZMSQBWGOTZKIA-CYBMUJFWSA-N 0 0 393.285 2.846 10 0 GFAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nccs3)C2)cc1 ZINC000110878730 655160898 /nfs/dbraw/zinc/16/08/98/655160898.db2.gz NPTLKCOABBBXRV-OAHLLOKOSA-N 0 0 380.491 2.539 10 0 GFAERN CC(C)c1n[nH]c(C(=O)N2CCO[C@H](c3nccs3)C2)c1Br ZINC000110883765 655161001 /nfs/dbraw/zinc/16/10/01/655161001.db2.gz UAUWYKMMPTXABT-VIFPVBQESA-N 0 0 385.287 2.966 10 0 GFAERN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110886310 655161245 /nfs/dbraw/zinc/16/12/45/655161245.db2.gz XNPVMEBTSBMSJI-OCCSQVGLSA-N 0 0 379.507 2.559 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(Br)ccc3F)CCO2)n1 ZINC000110899376 655161460 /nfs/dbraw/zinc/16/14/60/655161460.db2.gz AQGFSSNNZBRUDI-CQSZACIVSA-N 0 0 396.260 2.943 10 0 GFAERN O=C(c1cc2ccc(Br)cc2[nH]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111084554 655164201 /nfs/dbraw/zinc/16/42/01/655164201.db2.gz NBECBVKZUDALKK-AWEZNQCLSA-N 0 0 389.253 2.668 10 0 GFAERN O=C(c1cc(Cl)ccc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000111085320 655164400 /nfs/dbraw/zinc/16/44/00/655164400.db2.gz JIQOLXJIGOBZIA-LBPRGKRZSA-N 0 0 384.661 2.840 10 0 GFAERN CCS(=O)(=O)c1ccc2oc(=S)n(CN3CCC([C@@H](C)O)CC3)c2c1 ZINC000173357213 655169432 /nfs/dbraw/zinc/16/94/32/655169432.db2.gz JMBPMLKEESXKHK-GFCCVEGCSA-N 0 0 384.523 2.808 10 0 GFAERN Cc1nnc([C@@H]2CN(CCC(=O)Nc3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000173716716 655177650 /nfs/dbraw/zinc/17/76/50/655177650.db2.gz RQIVHBAAEIDVNN-AWEZNQCLSA-N 0 0 384.267 2.822 10 0 GFAERN CC(C)(C)OC(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1F ZINC000173929034 655186226 /nfs/dbraw/zinc/18/62/26/655186226.db2.gz FQORGJYDSIKNNH-LLVKDONJSA-N 0 0 376.425 2.643 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2ccc(SC)o2)CC1 ZINC000112293649 655186876 /nfs/dbraw/zinc/18/68/76/655186876.db2.gz PNFHIFBSVIOCGK-UHFFFAOYSA-N 0 0 382.917 2.909 10 0 GFAERN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC[C@H](n2cncn2)C1 ZINC000173984471 655188220 /nfs/dbraw/zinc/18/82/20/655188220.db2.gz WDKNTXDHLJVYTO-JTQLQIEISA-N 0 0 394.806 2.976 10 0 GFAERN O=C(Nc1cccc(I)c1)N1CCC[C@H](n2cncn2)C1 ZINC000174426070 655202358 /nfs/dbraw/zinc/20/23/58/655202358.db2.gz ICYHPESSZWVTDL-ZDUSSCGKSA-N 0 0 397.220 2.752 10 0 GFAERN C[C@@H](NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCO1 ZINC000174954100 655211416 /nfs/dbraw/zinc/21/14/16/655211416.db2.gz DGLWTWLEPCVJLR-SKDRFNHKSA-N 0 0 381.782 2.999 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000174957167 655211477 /nfs/dbraw/zinc/21/14/77/655211477.db2.gz ZQDRQGKSCSUPQQ-SMDDNHRTSA-N 0 0 376.881 2.861 10 0 GFAERN C[C@H]1CN([C@@H](CNC(=O)N(C)Cc2nccs2)c2cccs2)CCO1 ZINC000175042592 655213208 /nfs/dbraw/zinc/21/32/08/655213208.db2.gz GBLUTAKEHPJDBI-KBPBESRZSA-N 0 0 380.539 2.808 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc(Br)cc3O)C2)n1 ZINC000116977496 655258165 /nfs/dbraw/zinc/25/81/65/655258165.db2.gz LCGCRDBBFCQJMF-CYBMUJFWSA-N 0 0 393.285 2.915 10 0 GFAERN COCCN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@H]1C ZINC000117291173 655263316 /nfs/dbraw/zinc/26/33/16/655263316.db2.gz NXPAAHDQVRODGE-CQSZACIVSA-N 0 0 381.314 2.660 10 0 GFAERN COc1cc(Br)c(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1OC ZINC000177270922 655272032 /nfs/dbraw/zinc/27/20/32/655272032.db2.gz ZLKJHFHBKHFLRS-CJNGLKHVSA-N 0 0 399.329 2.619 10 0 GFAERN COc1ccc(Br)c(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000118670459 655280509 /nfs/dbraw/zinc/28/05/09/655280509.db2.gz DWZPEIQVWGHLFA-GFCCVEGCSA-N 0 0 391.269 2.647 10 0 GFAERN COc1cc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1Br ZINC000177888881 655290458 /nfs/dbraw/zinc/29/04/58/655290458.db2.gz BNYXOEIIPILFCS-IUODEOHRSA-N 0 0 398.301 2.642 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1Br ZINC000177983604 655293502 /nfs/dbraw/zinc/29/35/02/655293502.db2.gz IFCDFQVFISWKLO-CYBMUJFWSA-N 0 0 391.269 2.584 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCC(C)(C)c1ccc(Br)cc1)C(C)C ZINC000178407727 655302971 /nfs/dbraw/zinc/30/29/71/655302971.db2.gz AJMMYHRDHFWVHR-CQSZACIVSA-N 0 0 384.318 2.797 10 0 GFAERN O=C(CCS(=O)(=O)N1CCC[C@H](C(F)(F)F)C1)OCc1ccccc1 ZINC000179307132 655312747 /nfs/dbraw/zinc/31/27/47/655312747.db2.gz KNDHOAIPHGAOQW-AWEZNQCLSA-N 0 0 379.400 2.724 10 0 GFAERN C[C@H]1C[C@H](C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC(C)(C)C1 ZINC000180417065 655326272 /nfs/dbraw/zinc/32/62/72/655326272.db2.gz BMMOVYNAARDISK-RYUDHWBXSA-N 0 0 384.464 2.879 10 0 GFAERN Cc1cc(I)ccc1NC(=O)CN1[C@H](C)COC[C@@H]1C ZINC000120875157 655345857 /nfs/dbraw/zinc/34/58/57/655345857.db2.gz MPAPBBSYFMEGML-TXEJJXNPSA-N 0 0 388.249 2.647 10 0 GFAERN C=C[C@H](C)OC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000187625550 655375704 /nfs/dbraw/zinc/37/57/04/655375704.db2.gz WTUSUKQDLCLKEG-BBRMVZONSA-N 0 0 377.487 2.981 10 0 GFAERN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1CCCO1 ZINC000189409492 655386360 /nfs/dbraw/zinc/38/63/60/655386360.db2.gz JAYWARSTAOZNFG-BXKDBHETSA-N 0 0 393.259 2.512 10 0 GFAERN COC(=O)C[C@H](NC(=O)C[C@H]1CCCOC1)c1cccc(Br)c1 ZINC000192856791 655407238 /nfs/dbraw/zinc/40/72/38/655407238.db2.gz CGFDTUFNMIQSHT-DOMZBBRYSA-N 0 0 384.270 2.986 10 0 GFAERN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCS[C@H](C)C1 ZINC000195223284 655419505 /nfs/dbraw/zinc/41/95/05/655419505.db2.gz URSLIDXAUBUJQB-SECBINFHSA-N 0 0 395.300 2.792 10 0 GFAERN Cc1csc([C@H]2CN(Cn3nnn(Cc4cccs4)c3=S)CCO2)n1 ZINC000195295093 655419791 /nfs/dbraw/zinc/41/97/91/655419791.db2.gz JIMJWSOIRUTIAV-CYBMUJFWSA-N 0 0 394.551 2.715 10 0 GFAERN O=C(NCCCn1ncc2c1cccc2Cl)c1nn2c(c1Cl)OCC2 ZINC000223836672 655422493 /nfs/dbraw/zinc/42/24/93/655422493.db2.gz NICABAKNPWHXLJ-UHFFFAOYSA-N 0 0 380.235 2.752 10 0 GFAERN CCc1ccc([C@@H](C)NC(=S)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000243050307 655427221 /nfs/dbraw/zinc/42/72/21/655427221.db2.gz IEMNJPXZMAJGDB-CYBMUJFWSA-N 0 0 377.535 2.622 10 0 GFAERN O=S(=O)(/C=C/c1ccccc1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246079252 655428881 /nfs/dbraw/zinc/42/88/81/655428881.db2.gz GJKFIQHTSXTODD-SCGCXBKJSA-N 0 0 379.503 2.873 10 0 GFAERN CC(=O)N(c1nn(CN2CC[C@@]3(O)CCCC[C@H]3C2)c(=S)s1)C1CC1 ZINC000247007830 655431025 /nfs/dbraw/zinc/43/10/25/655431025.db2.gz LBBLNZALBGMEFZ-GUYCJALGSA-N 0 0 382.555 2.774 10 0 GFAERN CCc1nsc(N2CCCN(S(=O)(=O)/C=C\c3ccccc3)CC2)n1 ZINC000255900567 655440920 /nfs/dbraw/zinc/44/09/20/655440920.db2.gz ANIUCOXHDGMGJH-ZROIWOOFSA-N 0 0 378.523 2.613 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H](O)C1 ZINC000702796154 655521826 /nfs/dbraw/zinc/52/18/26/655521826.db2.gz MZQKTUMVIRUUOQ-BXUZGUMPSA-N 0 0 389.279 2.951 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000705697181 655522127 /nfs/dbraw/zinc/52/21/27/655522127.db2.gz UCUXILIVUFWKFR-YGRLFVJLSA-N 0 0 389.279 2.951 10 0 GFAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cnc(Br)c(Br)c1 ZINC000708340455 655522314 /nfs/dbraw/zinc/52/23/14/655522314.db2.gz ZZRUTQDEVSPEQR-HTQZYQBOSA-N 0 0 378.064 2.856 10 0 GFAERN CCc1nnc([C@@H]2CN(S(=O)(=O)/C=C\c3ccc(Cl)cc3)CCO2)o1 ZINC000779884610 656955527 /nfs/dbraw/zinc/95/55/27/656955527.db2.gz SDGSRXPLZDCFBW-YHAOYDPOSA-N 0 0 383.857 2.659 10 0 GFAERN Cn1cncc1[C@@H]1C[C@H](NS(=O)(=O)/C=C\c2ccccc2Cl)CCO1 ZINC000886085709 663102956 /nfs/dbraw/zinc/10/29/56/663102956.db2.gz LDJKOPWESWEDBH-LOJACCTISA-N 0 0 381.885 2.884 10 0 GFAERN COC(=O)c1cc(Br)c(NC[C@H]2CCc3nccn3C2)nc1C ZINC000893585206 663416300 /nfs/dbraw/zinc/41/63/00/663416300.db2.gz RJEIAJQGTNTHFA-LLVKDONJSA-N 0 0 379.258 2.810 10 0 GFAERN CCOC(=O)c1ncc(Br)c(N2CCC[C@@H](c3cc(C)[nH]n3)C2)n1 ZINC000893710450 663421782 /nfs/dbraw/zinc/42/17/82/663421782.db2.gz GIQIADKDCUBNHM-LLVKDONJSA-N 0 0 394.273 2.831 10 0 GFAERN CC(C)n1cc([C@]2(O)CCCN(C(=O)c3ccnc(Cl)c3Cl)C2)nn1 ZINC000908098746 664082910 /nfs/dbraw/zinc/08/29/10/664082910.db2.gz XQKRDDPHLPFQKJ-INIZCTEOSA-N 0 0 384.267 2.685 10 0 GFAERN C[C@@H](C(=O)N1CCC(=O)C[C@H]1C1CC1)N1C(=S)N=NC1c1cccs1 ZINC000912191201 664275271 /nfs/dbraw/zinc/27/52/71/664275271.db2.gz VTYQPNOKGFKXFP-GWCFXTLKSA-N 0 0 376.507 2.826 10 0 GFAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCC(O)CC1 ZINC000035189062 204035529 /nfs/dbraw/zinc/03/55/29/204035529.db2.gz DOPPWJNGCJLANS-UHFFFAOYSA-N 0 0 398.706 2.693 10 0 GFAERN COc1ccc2c(C)nc(N3CCC[C@H](C(=O)N4CCC(OC)CC4)C3)nc2c1 ZINC000011969983 204366033 /nfs/dbraw/zinc/36/60/33/204366033.db2.gz KEUKALSTEVNVJT-INIZCTEOSA-N 0 0 398.507 2.801 10 0 GFAERN CN(C(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl)c1ccccc1 ZINC000012004908 204367238 /nfs/dbraw/zinc/36/72/38/204367238.db2.gz ZJFNLSJZUNCBIQ-UHFFFAOYSA-N 0 0 378.837 2.683 10 0 GFAERN O=C(NCc1cn2ccsc2n1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012316715 204395181 /nfs/dbraw/zinc/39/51/81/204395181.db2.gz GBWMFXMBLAPUAL-CQSZACIVSA-N 0 0 386.452 2.590 10 0 GFAERN CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccccc3)ccc21 ZINC000017316511 204611453 /nfs/dbraw/zinc/61/14/53/204611453.db2.gz NDCYNXUZFJALOY-UHFFFAOYSA-N 0 0 394.518 2.731 10 0 GFAERN Fc1ccccc1-c1cnnc(NC[C@H](c2ccncc2)N2CCOCC2)n1 ZINC000020501005 204724085 /nfs/dbraw/zinc/72/40/85/204724085.db2.gz GPZTYGUYQMPTAD-LJQANCHMSA-N 0 0 380.427 2.558 10 0 GFAERN COc1cc(C(=O)Nc2c(C)nc3sc(C)cn3c2=O)cc(OC)c1OC ZINC000021356857 204756609 /nfs/dbraw/zinc/75/66/09/204756609.db2.gz URRKHZCMJYTPMD-UHFFFAOYSA-N 0 0 389.433 2.651 10 0 GFAERN C[C@@H]1CN(c2nc3ccccc3c3nnc(C4CC4)n32)CCN1C(=O)C1CCC1 ZINC000034707229 204972758 /nfs/dbraw/zinc/97/27/58/204972758.db2.gz FMRPJSNKMDVZEB-CQSZACIVSA-N 0 0 390.491 2.992 10 0 GFAERN COCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1ccccc1C ZINC000036054983 205003805 /nfs/dbraw/zinc/00/38/05/205003805.db2.gz YACKWQJYCBUDSR-RBUKOAKNSA-N 0 0 384.451 2.753 10 0 GFAERN COCCNC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1c1ccccc1C ZINC000036054981 205004479 /nfs/dbraw/zinc/00/44/79/205004479.db2.gz YACKWQJYCBUDSR-MOPGFXCFSA-N 0 0 384.451 2.753 10 0 GFAERN CC(C)CN(C[C@H]1CN(C(=O)c2ccco2)CCO1)C(=O)Cc1ccccc1 ZINC000037545406 205028561 /nfs/dbraw/zinc/02/85/61/205028561.db2.gz YWBJZFPZCQOALX-LJQANCHMSA-N 0 0 384.476 2.848 10 0 GFAERN CC(C)(C)OC(=O)NC1CN([C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952024 205044863 /nfs/dbraw/zinc/04/48/63/205044863.db2.gz OEMDZXNJFWSZPI-SFHVURJKSA-N 0 0 389.496 2.997 10 0 GFAERN CC(C)N1CCN(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)C(=O)C1=O ZINC000065129802 205211566 /nfs/dbraw/zinc/21/15/66/205211566.db2.gz YBRQCXSOUOSXEM-KRWDZBQOSA-N 0 0 393.487 2.757 10 0 GFAERN Cc1cc([C@@H]2CC(=O)Nc3cc(OCC(=O)N4CCOCC4)ccc32)oc1C ZINC000065395464 205233039 /nfs/dbraw/zinc/23/30/39/205233039.db2.gz CXDVXVJXSFEPSB-QGZVFWFLSA-N 0 0 384.432 2.608 10 0 GFAERN COc1ccc(OC)c(NC(=O)Cn2c3cccnc3n(C3CCCC3)c2=O)c1 ZINC000065202754 205218471 /nfs/dbraw/zinc/21/84/71/205218471.db2.gz DQLIXAUYPLCEIG-UHFFFAOYSA-N 0 0 396.447 2.969 10 0 GFAERN COc1ccc2[nH]c3c(c2c1)CN(C[C@]1(O)CCCN(CC2CCC2)C1=O)CC3 ZINC000067588572 205249688 /nfs/dbraw/zinc/24/96/88/205249688.db2.gz WGIISBJACHDCBB-HSZRJFAPSA-N 0 0 397.519 2.688 10 0 GFAERN O=C(OCc1ccccc1)N1CCC[C@@H](Cn2c(CO)nc3cccnc32)C1 ZINC000095078425 205438230 /nfs/dbraw/zinc/43/82/30/205438230.db2.gz WJRBTNLJWKLXDN-QGZVFWFLSA-N 0 0 380.448 2.972 10 0 GFAERN COc1ccc(C2=N/C(=C/c3cc(OC)c4c(c3OC)OCO4)C(=O)O2)cc1 ZINC000096503769 205567824 /nfs/dbraw/zinc/56/78/24/205567824.db2.gz VTCZWSDSVWBTKO-RIYZIHGNSA-N 0 0 383.356 2.786 10 0 GFAERN COc1ccc(Cc2nnc3n(c2=O)N=C(c2ccc(C)cc2)CS3)cc1 ZINC000027525629 206013511 /nfs/dbraw/zinc/01/35/11/206013511.db2.gz CLKVJNKIAASKDA-UHFFFAOYSA-N 0 0 378.457 2.904 10 0 GFAERN Cc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1Br ZINC000027981749 206024868 /nfs/dbraw/zinc/02/48/68/206024868.db2.gz AFCMTYPBGJLTJB-UHFFFAOYSA-N 0 0 395.276 2.750 10 0 GFAERN COc1ccc(C(=O)N2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)cc1OC ZINC000096269088 206121731 /nfs/dbraw/zinc/12/17/31/206121731.db2.gz CURKDJOIFHRWRP-QGZVFWFLSA-N 0 0 387.480 2.599 10 0 GFAERN COC(=O)[C@@H]1C[C@@H](NC(=O)CC2CCCC2)CN1Cc1ccc(F)cc1F ZINC000299788798 206190879 /nfs/dbraw/zinc/19/08/79/206190879.db2.gz XOYFUINQKCOTGN-AEFFLSMTSA-N 0 0 380.435 2.777 10 0 GFAERN CC[C@@H](C)NC(=O)N1CCN(c2cc(-c3ccc(OC)c(OC)c3)ncn2)CC1 ZINC000065007978 136158654 /nfs/dbraw/zinc/15/86/54/136158654.db2.gz CMPVIRXHGASKTR-OAHLLOKOSA-N 0 0 399.495 2.791 10 0 GFAERN COc1cccc(C(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c1OC ZINC000224355200 136206951 /nfs/dbraw/zinc/20/69/51/136206951.db2.gz QLASWLDHIDLAOS-UHFFFAOYSA-N 0 0 385.468 2.802 10 0 GFAERN CCCn1c(=O)c2sccc2nc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000057346670 521618620 /nfs/dbraw/zinc/61/86/20/521618620.db2.gz QBTPBSRPPBRWCV-UHFFFAOYSA-N 0 0 378.498 2.925 10 0 GFAERN COc1cc(C)c(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1C ZINC000224213622 536611792 /nfs/dbraw/zinc/61/17/92/536611792.db2.gz XAZBAQQQMDWHJG-UHFFFAOYSA-N 0 0 390.509 2.571 10 0 GFAERN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cncs3)C2)CC1 ZINC000064015413 537071511 /nfs/dbraw/zinc/07/15/11/537071511.db2.gz ORHLXSSKECEKTE-INIZCTEOSA-N 0 0 386.521 2.579 10 0 GFAERN CSCC[C@H](NC(=O)CS(=O)(=O)CC(C)C)c1nc2ccccc2[nH]1 ZINC000042218768 551138759 /nfs/dbraw/zinc/13/87/59/551138759.db2.gz YIPBYWXVNZGYBD-HNNXBMFYSA-N 0 0 383.539 2.544 10 0 GFAERN C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000046583261 551151511 /nfs/dbraw/zinc/15/15/11/551151511.db2.gz KZBIYUHJASTKQR-GFCCVEGCSA-N 0 0 381.885 2.619 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(C)c1I ZINC000050608247 551161224 /nfs/dbraw/zinc/16/12/24/551161224.db2.gz JWBBIEVFZAUCGN-LBPRGKRZSA-N 0 0 387.217 2.767 10 0 GFAERN C[C@H](CCc1ccc(Br)cc1)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000054648478 551169889 /nfs/dbraw/zinc/16/98/89/551169889.db2.gz BUCNXRNOYGWAGJ-HUUCEWRRSA-N 0 0 398.345 2.790 10 0 GFAERN COC(=O)C[C@H](NC(=O)Nc1cnn(C)c1)c1cccc(Br)c1 ZINC000097173757 551196404 /nfs/dbraw/zinc/19/64/04/551196404.db2.gz MUEDMYNDTSKMHX-ZDUSSCGKSA-N 0 0 381.230 2.609 10 0 GFAERN CC(C)n1nnnc1CSc1nnc(COc2ccccc2Cl)n1C ZINC000107078109 551201342 /nfs/dbraw/zinc/20/13/42/551201342.db2.gz XNDSQDIJAINOSP-UHFFFAOYSA-N 0 0 379.877 2.907 10 0 GFAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000112650377 551206402 /nfs/dbraw/zinc/20/64/02/551206402.db2.gz SKLITHDJUORJIN-GFCCVEGCSA-N 0 0 377.235 2.515 10 0 GFAERN Cc1cc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)ccc1Br ZINC000116310476 551211967 /nfs/dbraw/zinc/21/19/67/551211967.db2.gz UITTWNVJFXYNPL-ZDUSSCGKSA-N 0 0 377.286 2.919 10 0 GFAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)C2)cn1 ZINC000116369765 551213323 /nfs/dbraw/zinc/21/33/23/551213323.db2.gz MURXIVBPSFCIEI-JTQLQIEISA-N 0 0 377.363 2.756 10 0 GFAERN CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CCN1CCOC ZINC000117371888 551213915 /nfs/dbraw/zinc/21/39/15/551213915.db2.gz OFKRIIRIGVJVDM-GFCCVEGCSA-N 0 0 381.325 2.725 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)Nc3cccnc3Br)CC2)s1 ZINC000119598786 551218060 /nfs/dbraw/zinc/21/80/60/551218060.db2.gz NZBIESMTZHAXMA-UHFFFAOYSA-N 0 0 396.314 2.959 10 0 GFAERN CCC1CCC(NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000120965762 551223810 /nfs/dbraw/zinc/22/38/10/551223810.db2.gz JPJDCIGZHDNVDC-UHFFFAOYSA-N 0 0 386.901 2.767 10 0 GFAERN Cc1cccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c1Br ZINC000121057506 551226387 /nfs/dbraw/zinc/22/63/87/551226387.db2.gz CJZPXAXHXMQOPC-UHFFFAOYSA-N 0 0 391.269 2.825 10 0 GFAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](n4cncn4)C3)s2)cs1 ZINC000121091881 551226708 /nfs/dbraw/zinc/22/67/08/551226708.db2.gz GJDWYMRKXSTNEY-GFCCVEGCSA-N 0 0 395.535 2.797 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000121683931 551239776 /nfs/dbraw/zinc/23/97/76/551239776.db2.gz REPWBXDOHDQHHZ-LLVKDONJSA-N 0 0 382.251 2.737 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000121704594 551240081 /nfs/dbraw/zinc/24/00/81/551240081.db2.gz HKEHHTPWOTYNBT-NSHDSACASA-N 0 0 382.251 2.737 10 0 GFAERN C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000122749502 551301621 /nfs/dbraw/zinc/30/16/21/551301621.db2.gz BRDBHPFEQRQFEX-GJZGRUSLSA-N 0 0 381.519 2.603 10 0 GFAERN Cc1ccc(Br)c(S(=O)(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000128324564 551348956 /nfs/dbraw/zinc/34/89/56/551348956.db2.gz GFBRLWUOSFAWGN-LLVKDONJSA-N 0 0 399.314 2.725 10 0 GFAERN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000131097448 551372472 /nfs/dbraw/zinc/37/24/72/551372472.db2.gz SBOXXQIYLQWKJS-BETUJISGSA-N 0 0 388.917 2.618 10 0 GFAERN C[C@H](NC(=O)CCC(=O)N1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000131154629 551372900 /nfs/dbraw/zinc/37/29/00/551372900.db2.gz PSPZZXCKJFSDLK-JTQLQIEISA-N 0 0 377.243 2.949 10 0 GFAERN O=C(Nc1cc(Br)c(F)cc1Cl)N[C@H]1CCc2ncnn2C1 ZINC000132809889 551379337 /nfs/dbraw/zinc/37/93/37/551379337.db2.gz GOEKJZFRQQRRAE-ZETCQYMHSA-N 0 0 388.628 2.970 10 0 GFAERN C[C@H](C(=O)N1CCO[C@@H](C)[C@@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000151072252 551406385 /nfs/dbraw/zinc/40/63/85/551406385.db2.gz HNOLUXDQUGCIGF-AEJSXWLSSA-N 0 0 385.247 2.614 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1I ZINC000151286441 551410691 /nfs/dbraw/zinc/41/06/91/551410691.db2.gz LPPWTHWHPIABJQ-LBPRGKRZSA-N 0 0 396.232 2.710 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C)nc1Br ZINC000151333681 551411943 /nfs/dbraw/zinc/41/19/43/551411943.db2.gz UUMKMYQMJSXGBA-NSHDSACASA-N 0 0 379.262 2.963 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@@H]1CCCO1 ZINC000151814667 551421425 /nfs/dbraw/zinc/42/14/25/551421425.db2.gz BLYXWLIFZFPWIC-PELKAZGASA-N 0 0 375.650 2.725 10 0 GFAERN CN(c1cccnn1)C1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000152932338 551443066 /nfs/dbraw/zinc/44/30/66/551443066.db2.gz STMLJURHTHPXLY-QGZVFWFLSA-N 0 0 391.313 2.873 10 0 GFAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](C)c2ccccc2Br)c1 ZINC000153279560 551449503 /nfs/dbraw/zinc/44/95/03/551449503.db2.gz FJXCEJCTHWEHSG-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cc(Br)cs1 ZINC000153783948 551460551 /nfs/dbraw/zinc/46/05/51/551460551.db2.gz YTKAAIYAQFMOLO-LLVKDONJSA-N 0 0 384.303 2.999 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc(Br)c(O)c1)CC2 ZINC000153966169 551464181 /nfs/dbraw/zinc/46/41/81/551464181.db2.gz HIWQJJMLHQDBFL-LLVKDONJSA-N 0 0 379.258 2.614 10 0 GFAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000153974959 551464596 /nfs/dbraw/zinc/46/45/96/551464596.db2.gz JOLWQYMLQNWVIM-LLVKDONJSA-N 0 0 389.445 2.798 10 0 GFAERN NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@H](Oc2cccnc2)C1 ZINC000154690844 551480966 /nfs/dbraw/zinc/48/09/66/551480966.db2.gz UQCOIYPCIFVBOR-BBRMVZONSA-N 0 0 394.244 2.663 10 0 GFAERN CCc1nnc(NC(=O)[C@@H]2CCC[C@H]2C(=O)Nc2nnc(CC)s2)s1 ZINC000154782061 551482673 /nfs/dbraw/zinc/48/26/73/551482673.db2.gz OXQQLHURARELRR-RKDXNWHRSA-N 0 0 380.499 2.508 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1csc(-c2cccs2)n1 ZINC000154971694 551487180 /nfs/dbraw/zinc/48/71/80/551487180.db2.gz KJKLVCZAVOIHBS-SNVBAGLBSA-N 0 0 375.479 2.874 10 0 GFAERN Cc1cnn(CCNC(=O)NCC2(c3ccccc3Br)CC2)c1 ZINC000155019724 551489192 /nfs/dbraw/zinc/48/91/92/551489192.db2.gz BXHPRSPHGQJDMZ-UHFFFAOYSA-N 0 0 377.286 2.985 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)cn1C(C)C ZINC000155342170 551497403 /nfs/dbraw/zinc/49/74/03/551497403.db2.gz HBAZNHXMJFUHST-GFCCVEGCSA-N 0 0 396.289 2.834 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(F)cc1Br ZINC000155365937 551498346 /nfs/dbraw/zinc/49/83/46/551498346.db2.gz ZUDYWEBPXHLCJB-GFCCVEGCSA-N 0 0 383.221 2.591 10 0 GFAERN COC(=O)[C@@H](NC(=O)COc1ccccc1Br)c1ccccc1 ZINC000155395589 551499015 /nfs/dbraw/zinc/49/90/15/551499015.db2.gz DMQQVEHOXXCSMK-INIZCTEOSA-N 0 0 378.222 2.858 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000156016703 551512700 /nfs/dbraw/zinc/51/27/00/551512700.db2.gz LZPRFYSBAUIPEU-LBPRGKRZSA-N 0 0 379.873 2.575 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)[C@H](C)Cc3ccc(Br)cc3)CCO2)[nH]1 ZINC000156389307 551521636 /nfs/dbraw/zinc/52/16/36/551521636.db2.gz MJZBZLHFGXLBRJ-IAQYHMDHSA-N 0 0 393.285 2.654 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000157070028 551532650 /nfs/dbraw/zinc/53/26/50/551532650.db2.gz KXZSOJYIVDZHMJ-SNVBAGLBSA-N 0 0 375.281 2.961 10 0 GFAERN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)cc1Br ZINC000157991791 551545487 /nfs/dbraw/zinc/54/54/87/551545487.db2.gz DFNQODXLMVGAQR-PBHICJAKSA-N 0 0 381.314 2.859 10 0 GFAERN COc1cc(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)sc1S(N)(=O)=O ZINC000162643357 551611033 /nfs/dbraw/zinc/61/10/33/551611033.db2.gz LKVPUBMPDNWPMF-MFKMUULPSA-N 0 0 380.491 2.773 10 0 GFAERN Cc1cnc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(Br)c1 ZINC000163064534 551615481 /nfs/dbraw/zinc/61/54/81/551615481.db2.gz NCMNIGURYLCGJJ-SNVBAGLBSA-N 0 0 388.221 2.776 10 0 GFAERN O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000163336530 551618912 /nfs/dbraw/zinc/61/89/12/551618912.db2.gz HRRJPULWZUSBMP-BXKDBHETSA-N 0 0 389.677 2.708 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1CCCO1 ZINC000164261182 551624772 /nfs/dbraw/zinc/62/47/72/551624772.db2.gz LDFIJSJRZZIFRZ-CABZTGNLSA-N 0 0 376.400 2.805 10 0 GFAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC000170754977 551638908 /nfs/dbraw/zinc/63/89/08/551638908.db2.gz KOVKZGUZIQCVFY-CHWSQXEVSA-N 0 0 378.226 2.691 10 0 GFAERN CCOc1cc(Br)c(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1OCC ZINC000170821567 551640527 /nfs/dbraw/zinc/64/05/27/551640527.db2.gz RYQQTBOSUGTKPL-GXSJLCMTSA-N 0 0 385.258 2.710 10 0 GFAERN O=C(c1ccc(I)c(F)c1)N1CCN2CCCC[C@@H]2C1 ZINC000171476776 551657000 /nfs/dbraw/zinc/65/70/00/551657000.db2.gz VYRPCDAWRFQWAD-GFCCVEGCSA-N 0 0 388.224 2.741 10 0 GFAERN COc1cc(Br)c(CN2CCO[C@@H](Cn3cccn3)C2)cc1OC ZINC000171512792 551657635 /nfs/dbraw/zinc/65/76/35/551657635.db2.gz ZCVFAPYTWVJEAT-CQSZACIVSA-N 0 0 396.285 2.564 10 0 GFAERN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CCS1 ZINC000171568237 551658016 /nfs/dbraw/zinc/65/80/16/551658016.db2.gz DXRPIAUBYAUGBB-ZDUSSCGKSA-N 0 0 396.559 2.804 10 0 GFAERN O[C@H](COc1cccc(Br)c1)CN1CCO[C@H](c2nccs2)C1 ZINC000171662631 551660131 /nfs/dbraw/zinc/66/01/31/551660131.db2.gz NYGAQPARPNXXJT-ZFWWWQNUSA-N 0 0 399.310 2.719 10 0 GFAERN O=S(=O)(c1ccc(Cl)nc1Cl)N1CCO[C@H](c2nccs2)C1 ZINC000171769518 551662681 /nfs/dbraw/zinc/66/26/81/551662681.db2.gz MHXAEPQLMJCLLY-QMMMGPOBSA-N 0 0 380.278 2.607 10 0 GFAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CCO[C@@H](c2nccs2)C1 ZINC000171855251 551665145 /nfs/dbraw/zinc/66/51/45/551665145.db2.gz CEOGODRGFZYLHF-GFCCVEGCSA-N 0 0 397.250 2.848 10 0 GFAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173019355 551692588 /nfs/dbraw/zinc/69/25/88/551692588.db2.gz AVGKUTYXCCUMAX-LKFCYVNXSA-N 0 0 384.267 2.820 10 0 GFAERN C[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)C[C@H]1N1CCOCC1 ZINC000173850690 552094342 /nfs/dbraw/zinc/09/43/42/552094342.db2.gz ATFQFFYNEHFXLV-IAQYHMDHSA-N 0 0 387.705 2.895 10 0 GFAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000173856821 552094555 /nfs/dbraw/zinc/09/45/55/552094555.db2.gz KIVMNEAKJCGIPG-UONOGXRCSA-N 0 0 393.285 2.747 10 0 GFAERN COc1ccc(Br)cc1CNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174458201 552104675 /nfs/dbraw/zinc/10/46/75/552104675.db2.gz BWXBSXYKSXYIGT-AWEZNQCLSA-N 0 0 394.273 2.596 10 0 GFAERN Cc1ccc([C@@H](CNS(=O)(=O)c2ccccc2F)N2CCOCC2)s1 ZINC000175217439 552117701 /nfs/dbraw/zinc/11/77/01/552117701.db2.gz SVXYQRRGEIFONY-OAHLLOKOSA-N 0 0 384.498 2.547 10 0 GFAERN CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)Cc1ccccc1 ZINC000175212896 552117861 /nfs/dbraw/zinc/11/78/61/552117861.db2.gz LHZANGWCDBODFW-QGZVFWFLSA-N 0 0 380.535 2.583 10 0 GFAERN O=C(CCc1ccc(Br)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000176361753 552139217 /nfs/dbraw/zinc/13/92/17/552139217.db2.gz WJXHHTHVDGNXGW-MRXNPFEDSA-N 0 0 378.270 2.506 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000177004636 552149402 /nfs/dbraw/zinc/14/94/02/552149402.db2.gz XXZKLBXOCVIEEQ-PLWJUESGSA-N 0 0 397.298 2.774 10 0 GFAERN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cccs2)c(Br)o1 ZINC000177479604 552155475 /nfs/dbraw/zinc/15/54/75/552155475.db2.gz BOMLFAARMNNOTA-ZETCQYMHSA-N 0 0 394.268 2.930 10 0 GFAERN Cc1c(Br)cccc1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177824486 552159376 /nfs/dbraw/zinc/15/93/76/552159376.db2.gz QHERHKDUGOZTAT-LRDDRELGSA-N 0 0 382.302 2.942 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)c1ccc(Cl)s1 ZINC000178418295 552170242 /nfs/dbraw/zinc/17/02/42/552170242.db2.gz KSJKCAYAINXFAM-VIFPVBQESA-N 0 0 398.893 2.547 10 0 GFAERN CNC(=O)[C@H](NC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C(C)C ZINC000178431182 552170357 /nfs/dbraw/zinc/17/03/57/552170357.db2.gz GUQRFEFKKMLVCJ-SWLSCSKDSA-N 0 0 388.295 2.927 10 0 GFAERN CNC(=O)[C@H](NC(=O)COc1ccc2ccccc2c1Br)C(C)C ZINC000178858970 552177728 /nfs/dbraw/zinc/17/77/28/552177728.db2.gz ZYAKPKHSPLPDCE-QGZVFWFLSA-N 0 0 393.281 2.868 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(F)c(I)c1 ZINC000179223657 552187478 /nfs/dbraw/zinc/18/74/78/552187478.db2.gz HIHBHPDTIODEAV-GWCFXTLKSA-N 0 0 377.197 2.711 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1cnc(C)nc1C)c1cccc(Br)c1 ZINC000179821165 552203775 /nfs/dbraw/zinc/20/37/75/552203775.db2.gz OYVQBADVLMZBGK-HNNXBMFYSA-N 0 0 392.253 2.890 10 0 GFAERN CCc1nnc([C@@H]2CN(Cc3ccc(Br)cc3OC)CCO2)[nH]1 ZINC000182029407 552273338 /nfs/dbraw/zinc/27/33/38/552273338.db2.gz XAOAHZMOYLFZES-AWEZNQCLSA-N 0 0 381.274 2.712 10 0 GFAERN Cc1cc(NC(=O)N[C@@H](C)c2nnc3n2CCCC3)cnc1Br ZINC000182426328 552283810 /nfs/dbraw/zinc/28/38/10/552283810.db2.gz BUIIFIDAHVERHZ-JTQLQIEISA-N 0 0 379.262 2.963 10 0 GFAERN COC(=O)c1cc(NC(=O)N[C@H]2CCCC[C@@H]2CO)ccc1Br ZINC000182641066 552289477 /nfs/dbraw/zinc/28/94/77/552289477.db2.gz OPBLKLKVSYRUCA-YGRLFVJLSA-N 0 0 385.258 2.908 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCS[C@@H](C)C2)nn1-c1ccccc1Cl ZINC000183129007 552300817 /nfs/dbraw/zinc/30/08/17/552300817.db2.gz MHLOHTNPWUGVIN-LBPRGKRZSA-N 0 0 378.885 2.737 10 0 GFAERN O=C(CNC(=O)N1CCc2sccc2[C@H]1c1cccs1)NCC1CC1 ZINC000183800298 552319778 /nfs/dbraw/zinc/31/97/78/552319778.db2.gz AQPPYKNUODHWGW-KRWDZBQOSA-N 0 0 375.519 2.993 10 0 GFAERN C[C@@H](NC(=O)c1cn(CC2(C)COC2)nn1)c1cccc(Br)c1 ZINC000183946886 552323923 /nfs/dbraw/zinc/32/39/23/552323923.db2.gz UULQTEXJWAGBRT-LLVKDONJSA-N 0 0 379.258 2.568 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)Nc2nnc(C(F)(F)F)s2)C12CCOCC2 ZINC000183982613 552324649 /nfs/dbraw/zinc/32/46/49/552324649.db2.gz MPOUKAGQDATYOW-DTWKUNHWSA-N 0 0 380.392 2.653 10 0 GFAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000185154424 552355705 /nfs/dbraw/zinc/35/57/05/552355705.db2.gz YEMOEFPTOOJNCT-UONOGXRCSA-N 0 0 386.901 2.594 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3csc(Br)c3C)CC2)no1 ZINC000185549596 552365759 /nfs/dbraw/zinc/36/57/59/552365759.db2.gz XIVFYSHNTYQTLG-UHFFFAOYSA-N 0 0 399.314 2.859 10 0 GFAERN CN(C)C(=O)NCCNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000185567852 552366370 /nfs/dbraw/zinc/36/63/70/552366370.db2.gz PNWDBOTTYKMZCB-ZFWWWQNUSA-N 0 0 388.295 2.849 10 0 GFAERN O=C1CCCN1C[C@@H](O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185642508 552368246 /nfs/dbraw/zinc/36/82/46/552368246.db2.gz VNXMXXSSBBLGFS-JKSUJKDBSA-N 0 0 385.277 2.708 10 0 GFAERN C[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)c1cccc(Br)c1 ZINC000186314332 552384808 /nfs/dbraw/zinc/38/48/08/552384808.db2.gz QJZHHLMWPKDGLD-VIFPVBQESA-N 0 0 394.241 2.950 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000186668718 552394283 /nfs/dbraw/zinc/39/42/83/552394283.db2.gz XCWILRYTVQCOJD-MRXNPFEDSA-N 0 0 397.313 2.779 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000186833197 552399176 /nfs/dbraw/zinc/39/91/76/552399176.db2.gz LIEBMHDFSVPVOV-ZDUSSCGKSA-N 0 0 392.253 2.850 10 0 GFAERN COc1c(Br)cccc1CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000186948432 552402426 /nfs/dbraw/zinc/40/24/26/552402426.db2.gz GISJMBKTVLGUTA-OAHLLOKOSA-N 0 0 380.286 2.864 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ncc(Br)cc1F ZINC000187306101 552412415 /nfs/dbraw/zinc/41/24/15/552412415.db2.gz YKAZKZNUVYAOFI-JOYOIKCWSA-N 0 0 384.253 2.907 10 0 GFAERN Cc1ncc(CN2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)s1 ZINC000187679466 552422155 /nfs/dbraw/zinc/42/21/55/552422155.db2.gz MIRSQXMEUOZZTG-AWEZNQCLSA-N 0 0 379.551 2.734 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc3c(cc2Br)OCO3)C1 ZINC000189341018 552469112 /nfs/dbraw/zinc/46/91/12/552469112.db2.gz MKSPSNKWPJHWPT-WCQYABFASA-N 0 0 396.241 2.831 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cc(Br)ccc1C)CC2 ZINC000190782480 552508864 /nfs/dbraw/zinc/50/88/64/552508864.db2.gz MTMJWZQRCZKFGT-AWEZNQCLSA-N 0 0 392.301 2.726 10 0 GFAERN COCCN1CCN(C(=O)C2(c3ccccc3Br)CC2)C[C@H]1C ZINC000191738334 552536542 /nfs/dbraw/zinc/53/65/42/552536542.db2.gz LZKKWOOBVHKMKJ-CQSZACIVSA-N 0 0 381.314 2.660 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)c3ccc(Br)c(O)c3)CCO2)cn1 ZINC000191805957 552538778 /nfs/dbraw/zinc/53/87/78/552538778.db2.gz RXVSQFFRBYJQCU-OAHLLOKOSA-N 0 0 380.242 2.585 10 0 GFAERN C[C@@H](NC(=O)c1sccc1-n1cccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192478985 552565277 /nfs/dbraw/zinc/56/52/77/552565277.db2.gz XTQDZJFYMYPGMI-GFCCVEGCSA-N 0 0 375.475 2.677 10 0 GFAERN CCN(C(=O)N[C@@H](C)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000193334820 552990513 /nfs/dbraw/zinc/99/05/13/552990513.db2.gz GVSVQTNCYQBCJO-SMDDNHRTSA-N 0 0 389.315 2.729 10 0 GFAERN CCCCOC[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000193362359 552991234 /nfs/dbraw/zinc/99/12/34/552991234.db2.gz CFCVPDUTMSRDPW-PXAZEXFGSA-N 0 0 389.279 2.938 10 0 GFAERN CCCCOC[C@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000193370003 552991669 /nfs/dbraw/zinc/99/16/69/552991669.db2.gz KXLGPBHANLJDIR-QGZVFWFLSA-N 0 0 389.323 2.929 10 0 GFAERN CCCCOC[C@@H](O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000193372675 552991793 /nfs/dbraw/zinc/99/17/93/552991793.db2.gz OOGABEQPEOWEJV-AWEZNQCLSA-N 0 0 389.323 2.929 10 0 GFAERN COC(=O)C[C@H](NC(=O)NC1CCOCC1)c1cccc(Br)c1 ZINC000193890366 553005868 /nfs/dbraw/zinc/00/58/68/553005868.db2.gz WQBCRQCKDYOTIA-AWEZNQCLSA-N 0 0 385.258 2.532 10 0 GFAERN CC(C)(C)c1csc([C@H]2CN(S(=O)(=O)N3CCCCCC3)CCO2)n1 ZINC000193955286 553008005 /nfs/dbraw/zinc/00/80/05/553008005.db2.gz IKNQOCBHVYZOEI-CQSZACIVSA-N 0 0 387.571 2.935 10 0 GFAERN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@H]1CNC(=O)C1 ZINC000194814979 553030906 /nfs/dbraw/zinc/03/09/06/553030906.db2.gz SVCHAIIATRDART-PXAZEXFGSA-N 0 0 391.240 2.930 10 0 GFAERN C[C@@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)c1ccccc1Br ZINC000195244346 553042476 /nfs/dbraw/zinc/04/24/76/553042476.db2.gz NTVDEQDLBZCQAM-LLVKDONJSA-N 0 0 397.294 2.729 10 0 GFAERN C=Cc1oc2cc(N(C)S(C)(=O)=O)c(Br)cc2c1C(=O)NC ZINC000219400981 553054510 /nfs/dbraw/zinc/05/45/10/553054510.db2.gz WZQZQRDZPYCPMD-UHFFFAOYSA-N 0 0 387.255 2.594 10 0 GFAERN C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCCO1 ZINC000245526239 553091950 /nfs/dbraw/zinc/09/19/50/553091950.db2.gz OYUOCWLOUVSXOR-NZVBXONLSA-N 0 0 386.279 2.965 10 0 GFAERN O[C@@H](COc1ccc(Br)cc1)CN1CCO[C@@H](c2nccs2)C1 ZINC000246064348 553101405 /nfs/dbraw/zinc/10/14/05/553101405.db2.gz ASEDZEPEEDXIRG-UKRRQHHQSA-N 0 0 399.310 2.719 10 0 GFAERN CNc1snc(C)c1C(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246969948 553116289 /nfs/dbraw/zinc/11/62/89/553116289.db2.gz PYQCBNXMCIZULW-AAEUAGOBSA-N 0 0 380.539 2.747 10 0 GFAERN O[C@]12CCCC[C@H]1CN(Cc1nnnn1-c1ccccc1Br)CC2 ZINC000247977499 553127243 /nfs/dbraw/zinc/12/72/43/553127243.db2.gz HYSQSMYALCPHJX-GUYCJALGSA-N 0 0 392.301 2.552 10 0 GFAERN C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(S(N)(=O)=O)cc1 ZINC000248274037 553128067 /nfs/dbraw/zinc/12/80/67/553128067.db2.gz XOAXMSRMFIQCPC-SNVBAGLBSA-N 0 0 377.853 2.960 10 0 GFAERN C[C@H]1CN([C@H](CNS(=O)(=O)c2ccccc2F)c2cccs2)CCO1 ZINC000248332638 553128376 /nfs/dbraw/zinc/12/83/76/553128376.db2.gz FKCQRLRIRVMEDU-DZGCQCFKSA-N 0 0 384.498 2.628 10 0 GFAERN C[C@@H]1CN([C@H](CNS(=O)(=O)c2ccccc2F)c2cccs2)CCO1 ZINC000248332639 553128385 /nfs/dbraw/zinc/12/83/85/553128385.db2.gz FKCQRLRIRVMEDU-UKRRQHHQSA-N 0 0 384.498 2.628 10 0 GFAERN O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCN2CCCC[C@H]2C1 ZINC000249769285 553145992 /nfs/dbraw/zinc/14/59/92/553145992.db2.gz RUUAESFETUNVQZ-NSHDSACASA-N 0 0 380.844 2.800 10 0 GFAERN C[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000253356256 553151176 /nfs/dbraw/zinc/15/11/76/553151176.db2.gz OOABZSIIRUHSPN-DMDPSCGWSA-N 0 0 377.268 2.600 10 0 GFAERN NCc1nc(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)no1 ZINC000262227397 553167364 /nfs/dbraw/zinc/16/73/64/553167364.db2.gz NLTPUOWPOYHNSZ-ZDUSSCGKSA-N 0 0 384.267 2.828 10 0 GFAERN CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000301337137 563400823 /nfs/dbraw/zinc/40/08/23/563400823.db2.gz GVOLJSQFHCGXRZ-QWRGUYRKSA-N 0 0 385.429 2.748 10 0 GFAERN Cc1cc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)sc1Br ZINC000328625912 563461575 /nfs/dbraw/zinc/46/15/75/563461575.db2.gz LCZDHKDELMZCPT-JTQLQIEISA-N 0 0 390.328 2.556 10 0 GFAERN Cc1cccc(C(=O)N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1I ZINC000398682421 563532704 /nfs/dbraw/zinc/53/27/04/563532704.db2.gz KUFNANJDARLALL-RWMBFGLXSA-N 0 0 385.245 2.833 10 0 GFAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O)CCC2 ZINC000368355989 563868854 /nfs/dbraw/zinc/86/88/54/563868854.db2.gz UFIBEZQQEZMFMO-VHDGCEQUSA-N 0 0 385.555 2.826 10 0 GFAERN CN1C[C@H](CNc2ncc(C(F)(F)F)cc2I)CC1=O ZINC000601195665 565771145 /nfs/dbraw/zinc/77/11/45/565771145.db2.gz SEMMYHAEFIIFIL-ZETCQYMHSA-N 0 0 399.154 2.595 10 0 GFAERN CN1OC[C@@H](S(=O)(=O)N2CCc3ccccc3C2)[C@@H]1c1cc(F)ccc1F ZINC000034739397 570330703 /nfs/dbraw/zinc/33/07/03/570330703.db2.gz HZZBPBQJFCHZKZ-MOPGFXCFSA-N 0 0 394.443 2.640 10 0 GFAERN O=S(=O)(N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1cccc(F)c1 ZINC000220147689 570382680 /nfs/dbraw/zinc/38/26/80/570382680.db2.gz ROMIYLWWTHCSRS-KJXMEXGPSA-N 0 0 377.437 2.551 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000157086596 570957454 /nfs/dbraw/zinc/95/74/54/570957454.db2.gz ZSMUPTCGJRJPKW-QGZVFWFLSA-N 0 0 390.509 2.975 10 0 GFAERN Cc1ccc(Cl)cc1C(=O)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1 ZINC000328602858 570995240 /nfs/dbraw/zinc/99/52/40/570995240.db2.gz CZPZEQUJZONNJP-INIZCTEOSA-N 0 0 386.883 2.893 10 0 GFAERN CCc1c(Cl)nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2c1=O ZINC000725243894 571010360 /nfs/dbraw/zinc/01/03/60/571010360.db2.gz AYXVYNWVFAWGBD-UHFFFAOYSA-N 0 0 392.887 2.967 10 0 GFAERN Nc1c(Cl)cc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1Cl ZINC000041819340 654632479 /nfs/dbraw/zinc/63/24/79/654632479.db2.gz WNRHTFXBHHWAJW-AWEZNQCLSA-N 0 0 377.235 2.985 10 0 GFAERN C[C@@H](NC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)c1cccs1 ZINC000048768075 654712955 /nfs/dbraw/zinc/71/29/55/654712955.db2.gz ZNHMXVSFDAUNJC-QMTHXVAHSA-N 0 0 376.404 2.682 10 0 GFAERN C[C@H](C(=O)NCCc1nccs1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000050469307 654719955 /nfs/dbraw/zinc/71/99/55/654719955.db2.gz WRIOFZYOUZGGMS-MRVPVSSYSA-N 0 0 398.271 2.793 10 0 GFAERN CN(C(=O)c1ccc(Br)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122293247 654732628 /nfs/dbraw/zinc/73/26/28/654732628.db2.gz CRGMQBIPGJLCJP-OAHLLOKOSA-N 0 0 375.270 2.980 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000123016000 654750296 /nfs/dbraw/zinc/75/02/96/654750296.db2.gz IEYAWMNKHGDTEG-OAHLLOKOSA-N 0 0 376.881 2.642 10 0 GFAERN Cc1cnn(CCNC(=O)c2cc(I)c(F)cc2F)c1 ZINC000123806685 654764072 /nfs/dbraw/zinc/76/40/72/654764072.db2.gz SCDKJELMXFEFGO-UHFFFAOYSA-N 0 0 391.159 2.504 10 0 GFAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(I)c(F)cc1F ZINC000124364754 654775460 /nfs/dbraw/zinc/77/54/60/654775460.db2.gz FOUZXDKFBKCICQ-HTQZYQBOSA-N 0 0 381.160 2.819 10 0 GFAERN O=C(Cc1ccc(F)c(Br)c1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000125043122 654787178 /nfs/dbraw/zinc/78/71/78/654787178.db2.gz MNEKODZLOPZAHG-ZDUSSCGKSA-N 0 0 393.260 2.706 10 0 GFAERN CSCCCCNC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000125929282 654805456 /nfs/dbraw/zinc/80/54/56/654805456.db2.gz GYGVXPUGJDPTTK-MRXNPFEDSA-N 0 0 377.535 2.942 10 0 GFAERN COc1ccc(C(=O)O[C@H](C)[C@H]2CCOC2)cc1I ZINC000126164464 654809499 /nfs/dbraw/zinc/80/94/99/654809499.db2.gz ONAIUHJIULRMLJ-KOLCDFICSA-N 0 0 376.190 2.882 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 ZINC000126434158 654813815 /nfs/dbraw/zinc/81/38/15/654813815.db2.gz NXYPUVWLKJBDQE-ZIAGYGMSSA-N 0 0 379.551 2.692 10 0 GFAERN C[C@@H](NC(=O)NCCNC(=O)c1cccnc1)c1cccc(Br)c1 ZINC000061915522 654843195 /nfs/dbraw/zinc/84/31/95/654843195.db2.gz ZIBWTBKLFMYQNT-GFCCVEGCSA-N 0 0 391.269 2.634 10 0 GFAERN COc1cc(Br)c(CN2CCC[C@H](Cn3cncn3)C2)c(OC)c1 ZINC000128458664 654847463 /nfs/dbraw/zinc/84/74/63/654847463.db2.gz YHOHJEKKMRQPQU-ZDUSSCGKSA-N 0 0 395.301 2.970 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc(F)c(F)cc1I ZINC000128640816 654849575 /nfs/dbraw/zinc/84/95/75/654849575.db2.gz RWVWPQSNRZNLOD-SDBXPKJASA-N 0 0 395.187 2.850 10 0 GFAERN COCC(=O)N[C@H](C(=O)O[C@H](C)c1ccc(Br)cc1F)C(C)C ZINC000131101777 654896378 /nfs/dbraw/zinc/89/63/78/654896378.db2.gz VSPUJRPSXZHDTJ-BMIGLBTASA-N 0 0 390.249 2.980 10 0 GFAERN CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000131925521 654922079 /nfs/dbraw/zinc/92/20/79/654922079.db2.gz UPABAGZSILPSDG-CABCVRRESA-N 0 0 383.330 2.855 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000132464407 654938650 /nfs/dbraw/zinc/93/86/50/654938650.db2.gz KSIAETATCHDNMW-ZDUSSCGKSA-N 0 0 382.873 2.510 10 0 GFAERN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H]1CSCCS1 ZINC000133008601 654951816 /nfs/dbraw/zinc/95/18/16/654951816.db2.gz IANACYMULPEHKW-ABAIWWIYSA-N 0 0 388.505 2.684 10 0 GFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)CSCc1cscn1 ZINC000133288608 654959422 /nfs/dbraw/zinc/95/94/22/654959422.db2.gz QMRIJXOQIAFLKJ-HNNXBMFYSA-N 0 0 397.591 2.970 10 0 GFAERN COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)cn1 ZINC000070730418 654994346 /nfs/dbraw/zinc/99/43/46/654994346.db2.gz AJPSPYMTVDBPEI-JTQLQIEISA-N 0 0 378.226 2.669 10 0 GFAERN COc1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)sc1Br ZINC000135364940 655014632 /nfs/dbraw/zinc/01/46/32/655014632.db2.gz WLZIBMVBOLRQSV-SNVBAGLBSA-N 0 0 385.287 2.663 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccnc(Br)c1 ZINC000136019491 655026683 /nfs/dbraw/zinc/02/66/83/655026683.db2.gz DAQKAOKLBXRNLE-LBPRGKRZSA-N 0 0 384.274 2.973 10 0 GFAERN CC(=O)N[C@@H]1CCCN(Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)C1 ZINC000153373012 655066427 /nfs/dbraw/zinc/06/64/27/655066427.db2.gz AVXUUFIFCKCJOF-OAHLLOKOSA-N 0 0 379.917 2.829 10 0 GFAERN O=S(=O)(c1ccc(N[C@H](CO)c2ccc(Cl)cc2)nc1)N1CCCC1 ZINC000271406677 655080139 /nfs/dbraw/zinc/08/01/39/655080139.db2.gz JOSULGZLUAJSBA-MRXNPFEDSA-N 0 0 381.885 2.665 10 0 GFAERN CCc1nc(NC(=O)CN2CCN(Cc3cnc(C)s3)CC2)sc1C ZINC000106090099 655102030 /nfs/dbraw/zinc/10/20/30/655102030.db2.gz OJBKURLZWDVVDL-UHFFFAOYSA-N 0 0 379.555 2.535 10 0 GFAERN Cc1ccc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)c(Br)c1 ZINC000106175585 655104429 /nfs/dbraw/zinc/10/44/29/655104429.db2.gz HVGNZEOYFSCVDV-AWEZNQCLSA-N 0 0 392.301 2.700 10 0 GFAERN O=C(CCN1CCO[C@@H](Cn2cccn2)C1)Nc1cc(Cl)ccc1Cl ZINC000106191034 655104693 /nfs/dbraw/zinc/10/46/93/655104693.db2.gz QRWSXTKFQNSQHN-CQSZACIVSA-N 0 0 383.279 2.920 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000106368035 655107579 /nfs/dbraw/zinc/10/75/79/655107579.db2.gz VLMAETIYYNNPOI-GFCCVEGCSA-N 0 0 399.314 2.629 10 0 GFAERN CCn1ccnc1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000106436056 655108658 /nfs/dbraw/zinc/10/86/58/655108658.db2.gz BYGXYXFJWIEHAK-MRXNPFEDSA-N 0 0 377.242 2.633 10 0 GFAERN C[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000160324473 655120530 /nfs/dbraw/zinc/12/05/30/655120530.db2.gz NEDFFKJCVHBEJS-QMMMGPOBSA-N 0 0 388.276 2.714 10 0 GFAERN COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000107514332 655121726 /nfs/dbraw/zinc/12/17/26/655121726.db2.gz UAVGUMOEPRBLHK-CQSZACIVSA-N 0 0 384.251 2.642 10 0 GFAERN C[C@H](NC(=O)NCC(=O)NCc1ccco1)c1cccc(Br)c1 ZINC000107717245 655124210 /nfs/dbraw/zinc/12/42/10/655124210.db2.gz VLKAVTDLYJCRRG-NSHDSACASA-N 0 0 380.242 2.719 10 0 GFAERN COC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C(C)C ZINC000108172304 655129047 /nfs/dbraw/zinc/12/90/47/655129047.db2.gz AVXFKDDKANGDRL-DZGCQCFKSA-N 0 0 398.301 2.525 10 0 GFAERN C[C@@H]1CN([C@@H](CNc2ncc(C(N)=O)cc2Cl)c2cccs2)CCO1 ZINC000109320649 655145002 /nfs/dbraw/zinc/14/50/02/655145002.db2.gz KTMFVAPQWTULDB-RISCZKNCSA-N 0 0 380.901 2.769 10 0 GFAERN Cc1nc(C[C@H]2CCCN(Cn3nc(N4CCCC4)sc3=S)C2)no1 ZINC000171357765 655151232 /nfs/dbraw/zinc/15/12/32/655151232.db2.gz LPINFGYNEPDKCH-CYBMUJFWSA-N 0 0 380.543 2.878 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)COc2cccc(Br)c2)C1 ZINC000110755351 655159651 /nfs/dbraw/zinc/15/96/51/655159651.db2.gz MZMSQBWGOTZKIA-ZDUSSCGKSA-N 0 0 393.285 2.846 10 0 GFAERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCO[C@H](c2nccs2)C1 ZINC000110882195 655160971 /nfs/dbraw/zinc/16/09/71/655160971.db2.gz GANHGOHQJYBVHA-AWEZNQCLSA-N 0 0 380.853 2.710 10 0 GFAERN O=C(CCc1cc(Br)cs1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111084964 655164153 /nfs/dbraw/zinc/16/41/53/655164153.db2.gz GAIUJVJBMJCNEL-CYBMUJFWSA-N 0 0 384.299 2.567 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)c2cccnc12 ZINC000111344205 655169390 /nfs/dbraw/zinc/16/93/90/655169390.db2.gz DUPVAGXJCATUAF-CQSZACIVSA-N 0 0 375.475 2.762 10 0 GFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2sccc2Br)ncn1 ZINC000173440623 655172405 /nfs/dbraw/zinc/17/24/05/655172405.db2.gz XAPKATOJYKTAHG-SNVBAGLBSA-N 0 0 396.314 2.741 10 0 GFAERN CCc1nc(C2(NCC(=O)Nc3ccc(Br)cn3)CCCC2)no1 ZINC000173718614 655177616 /nfs/dbraw/zinc/17/76/16/655177616.db2.gz VVWZWFAQNNASAL-UHFFFAOYSA-N 0 0 394.273 2.787 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3cc(Cl)ccc3Cl)CCO2)c1 ZINC000112060740 655181256 /nfs/dbraw/zinc/18/12/56/655181256.db2.gz SUVGYTHYGOLAMF-AWEZNQCLSA-N 0 0 384.263 2.805 10 0 GFAERN O=C(N[C@H]1CCc2ncnn2C1)C1(c2ccc(Br)cc2)CCC1 ZINC000112655492 655194513 /nfs/dbraw/zinc/19/45/13/655194513.db2.gz JCEVXIZZBKRUEO-AWEZNQCLSA-N 0 0 375.270 2.594 10 0 GFAERN CCN(C(=O)N[C@H](C)c1ccccc1Br)[C@@H](C)CS(C)(=O)=O ZINC000112714010 655196386 /nfs/dbraw/zinc/19/63/86/655196386.db2.gz RQMQGQGBIUHRPQ-NWDGAFQWSA-N 0 0 391.331 2.975 10 0 GFAERN Cc1ncc(CN2CCN(S(=O)(=O)/C=C/c3ccc(F)cc3)CC2)s1 ZINC000175280017 655217767 /nfs/dbraw/zinc/21/77/67/655217767.db2.gz NZACAPSENYNMOQ-IZZDOVSWSA-N 0 0 381.498 2.709 10 0 GFAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000175355987 655220671 /nfs/dbraw/zinc/22/06/71/655220671.db2.gz LKIBWCUYIWBQRB-ZBEGNZNMSA-N 0 0 379.869 2.590 10 0 GFAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000114874721 655229979 /nfs/dbraw/zinc/22/99/79/655229979.db2.gz JEQHZRCNIDBNAZ-LLVKDONJSA-N 0 0 389.308 2.582 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)CC2 ZINC000114874168 655229985 /nfs/dbraw/zinc/22/99/85/655229985.db2.gz AQUXNUSGTCAWTO-JTQLQIEISA-N 0 0 389.308 2.582 10 0 GFAERN C[C@@H](CNC(=O)CCc1cc(Cl)ccc1Br)N1CCOCC1 ZINC000175977956 655230816 /nfs/dbraw/zinc/23/08/16/655230816.db2.gz ZVQYOFUOKGBWOS-LBPRGKRZSA-N 0 0 389.721 2.872 10 0 GFAERN C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000176507160 655248307 /nfs/dbraw/zinc/24/83/07/655248307.db2.gz BIBKOQWRJKEKLS-RHSMWYFYSA-N 0 0 381.314 2.561 10 0 GFAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cc(C(F)(F)F)ccc1Cl ZINC000176746433 655254743 /nfs/dbraw/zinc/25/47/43/655254743.db2.gz KTVORZLCSAZKRY-SNVBAGLBSA-N 0 0 380.779 2.764 10 0 GFAERN CCOCCN1CCN(c2ccccc2S(=O)(=O)C(F)F)C[C@@H]1CC ZINC000116871296 655255081 /nfs/dbraw/zinc/25/50/81/655255081.db2.gz VVTPCJZRFPLHGH-AWEZNQCLSA-N 0 0 376.469 2.620 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)n1 ZINC000116899703 655256129 /nfs/dbraw/zinc/25/61/29/655256129.db2.gz QIRCBOBBRRWDEZ-HNNXBMFYSA-N 0 0 382.917 2.958 10 0 GFAERN C[C@@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)s1 ZINC000177047438 655266114 /nfs/dbraw/zinc/26/61/14/655266114.db2.gz PRKRZTMTIUZBPN-VVVCHXIZSA-N 0 0 377.853 2.947 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000177591031 655283147 /nfs/dbraw/zinc/28/31/47/655283147.db2.gz ZPBAMTVULIRWBG-VIFPVBQESA-N 0 0 396.278 2.939 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000177590809 655283162 /nfs/dbraw/zinc/28/31/62/655283162.db2.gz FPBPXGJXYKNUHZ-MRVPVSSYSA-N 0 0 384.317 2.861 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177765720 655288138 /nfs/dbraw/zinc/28/81/38/655288138.db2.gz QCGZNNRUHHRTBU-BBRMVZONSA-N 0 0 382.302 2.942 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(I)c1C ZINC000177812419 655289163 /nfs/dbraw/zinc/28/91/63/655289163.db2.gz JGOGEVNWMFGHJY-ZDUSSCGKSA-N 0 0 387.217 2.767 10 0 GFAERN COc1ccc(Br)c(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177818094 655289647 /nfs/dbraw/zinc/28/96/47/655289647.db2.gz WDIDZXHRWJQFAM-BLLLJJGKSA-N 0 0 398.301 2.642 10 0 GFAERN C[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000178531917 655304155 /nfs/dbraw/zinc/30/41/55/655304155.db2.gz ANBLDJAIIXDKSF-NSHDSACASA-N 0 0 389.315 2.634 10 0 GFAERN C[C@@H](NC(=O)c1[nH]nc2ccc(Br)cc21)c1nnc2n1CCCC2 ZINC000178621570 655306047 /nfs/dbraw/zinc/30/60/47/655306047.db2.gz JFTSYNMLVMWWIM-SECBINFHSA-N 0 0 389.257 2.744 10 0 GFAERN CCO[C@@H]1C[C@H](OC(=O)Cn2cc(Br)ccc2=O)C12CCCC2 ZINC000119711548 655312144 /nfs/dbraw/zinc/31/21/44/655312144.db2.gz YCJLRYIGPGYBDD-KGLIPLIRSA-N 0 0 384.270 2.892 10 0 GFAERN COCCN1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000180014037 655320957 /nfs/dbraw/zinc/32/09/57/655320957.db2.gz FSJIAQUMTIQGGG-LRDDRELGSA-N 0 0 375.296 2.596 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1cccnc1Br)CC2 ZINC000119979988 655323743 /nfs/dbraw/zinc/32/37/43/655323743.db2.gz FHTDJGXWOLTJGO-SNVBAGLBSA-N 0 0 379.262 2.696 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1 ZINC000120257512 655332846 /nfs/dbraw/zinc/33/28/46/655332846.db2.gz BMENOZGLXBWOFL-LLVKDONJSA-N 0 0 386.520 2.754 10 0 GFAERN C[C@@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)c1cccc(Br)c1 ZINC000120522412 655337945 /nfs/dbraw/zinc/33/79/45/655337945.db2.gz SYMAATUSQNCAGZ-OLZOCXBDSA-N 0 0 393.285 2.542 10 0 GFAERN C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246100538 655429064 /nfs/dbraw/zinc/42/90/64/655429064.db2.gz HXGBMZRGYFOEJL-BZNIZROVSA-N 0 0 398.326 2.611 10 0 GFAERN CC[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000246487953 655430123 /nfs/dbraw/zinc/43/01/23/655430123.db2.gz RQIUUXITPRUMJJ-VUCTXSBTSA-N 0 0 389.323 2.721 10 0 GFAERN COc1cccc(CC(=O)N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)c1 ZINC000328605735 203759998 /nfs/dbraw/zinc/75/99/98/203759998.db2.gz OYHBYFXMGFLIFM-GOSISDBHSA-N 0 0 398.507 2.503 10 0 GFAERN O=C(CN(Cc1ccc(F)cc1)C(=O)c1csnn1)NCCc1ccccc1 ZINC000004964871 204096942 /nfs/dbraw/zinc/09/69/42/204096942.db2.gz XDKZMPAVMRMEHC-UHFFFAOYSA-N 0 0 398.463 2.679 10 0 GFAERN CCCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000005431265 204131813 /nfs/dbraw/zinc/13/18/13/204131813.db2.gz PTGSIAOLLJBCKT-ZDUSSCGKSA-N 0 0 380.400 2.877 10 0 GFAERN CC[C@H](C(=O)NC1CC1)n1c2ccccc2c(=O)n(-c2ccc(F)cc2)c1=O ZINC000006766418 204202021 /nfs/dbraw/zinc/20/20/21/204202021.db2.gz WFSJZLVLWJIZCM-QGZVFWFLSA-N 0 0 381.407 2.521 10 0 GFAERN Cc1cccc(C)c1NC(=O)CN1CCC2(CC1)N=C(c1ccccc1)C(=O)N2 ZINC000009526708 204314381 /nfs/dbraw/zinc/31/43/81/204314381.db2.gz OCSKBAYVEMQIBR-UHFFFAOYSA-N 0 0 390.487 2.653 10 0 GFAERN COc1cccc(OCc2cc(C(=O)NCc3cnc4ccccn34)no2)c1 ZINC000011664131 204350357 /nfs/dbraw/zinc/35/03/57/204350357.db2.gz YBOICPGKCRXOKJ-UHFFFAOYSA-N 0 0 378.388 2.840 10 0 GFAERN CC(C)(CO)NC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000011818327 204354451 /nfs/dbraw/zinc/35/44/51/204354451.db2.gz JKDCGIUEYXDJEW-KRWDZBQOSA-N 0 0 394.519 2.736 10 0 GFAERN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000011936817 204364339 /nfs/dbraw/zinc/36/43/39/204364339.db2.gz YXXJWIIBAMDOPK-SFHVURJKSA-N 0 0 380.492 2.810 10 0 GFAERN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(N2C(=O)CCCC2=O)ccc1OC ZINC000012203434 204382410 /nfs/dbraw/zinc/38/24/10/204382410.db2.gz HKUQPFCLILIHNP-CQSZACIVSA-N 0 0 394.493 2.692 10 0 GFAERN O=C(NCCn1nnc2ccccc21)[C@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000012592881 204429001 /nfs/dbraw/zinc/42/90/01/204429001.db2.gz NNHTYCQISMZBCY-INIZCTEOSA-N 0 0 383.496 2.509 10 0 GFAERN Cc1nc(-c2c(C)ncc3c2CCN(C(=O)c2noc4c2CCCC4)C3)no1 ZINC000019731062 204679318 /nfs/dbraw/zinc/67/93/18/204679318.db2.gz WMQLFZVIVCCWRM-UHFFFAOYSA-N 0 0 379.420 2.814 10 0 GFAERN O=C(NCCc1nc2cccnc2n1Cc1ccccc1)NC[C@H]1CCCO1 ZINC000033025448 204941479 /nfs/dbraw/zinc/94/14/79/204941479.db2.gz HYOQDJCJDPBYOA-QGZVFWFLSA-N 0 0 379.464 2.500 10 0 GFAERN COCCN(C[C@H]1CN(C(=O)c2ccccc2C)CCO1)C(=O)c1ccccc1 ZINC000037609047 205029264 /nfs/dbraw/zinc/02/92/64/205029264.db2.gz JKKDPRZCIHCVNA-FQEVSTJZSA-N 0 0 396.487 2.625 10 0 GFAERN O=C(Cn1nc2c(SC3CCCCC3)nccn2c1=O)NC1CCCCC1 ZINC000065151082 205213643 /nfs/dbraw/zinc/21/36/43/205213643.db2.gz HCGFKQOKWFXRGB-UHFFFAOYSA-N 0 0 389.525 2.765 10 0 GFAERN COc1ccc(-c2cc3n(n2)CCC(=O)N3CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000064817799 205197028 /nfs/dbraw/zinc/19/70/28/205197028.db2.gz IWPUSCTWVNSDHX-HNNXBMFYSA-N 0 0 382.464 2.696 10 0 GFAERN O=C(c1ccc(F)cc1F)N1CCN(c2nnc3c(Cl)cccn32)CC1 ZINC000065313342 205229135 /nfs/dbraw/zinc/22/91/35/205229135.db2.gz QOZBFYHFOLAALU-UHFFFAOYSA-N 0 0 377.782 2.623 10 0 GFAERN Cc1nn2c(CNS(=O)(=O)Cc3c(F)cccc3Cl)c(C)nc2s1 ZINC000065217565 205219744 /nfs/dbraw/zinc/21/97/44/205219744.db2.gz HOLJIDGKLOTOPJ-UHFFFAOYSA-N 0 0 388.877 2.820 10 0 GFAERN C=C1C(N2CCC(NC(=O)[C@H](C)CC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239135 205220671 /nfs/dbraw/zinc/22/06/71/205220671.db2.gz PFOHCOFOLGLZFO-CQSZACIVSA-N 0 0 389.521 2.786 10 0 GFAERN COc1ccc(CS(=O)(=O)N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000095076369 205436686 /nfs/dbraw/zinc/43/66/86/205436686.db2.gz VKOGZWDWXPZRNH-INIZCTEOSA-N 0 0 398.525 2.856 10 0 GFAERN Nc1cn([C@@H]2CCCCO2)nc1C(=O)N[C@H]1CC[C@H](O[C@H]2CCCCO2)CC1 ZINC000216061577 205930144 /nfs/dbraw/zinc/93/01/44/205930144.db2.gz MDOWQBXYJOGFFM-MVJTYMMSSA-N 0 0 392.500 2.749 10 0 GFAERN COc1cccc(C(=O)CSc2nn3c(nnc(C(C)(C)C)c3=O)s2)c1 ZINC000027525619 206013535 /nfs/dbraw/zinc/01/35/35/206013535.db2.gz WVYCHYLCCQFTNX-UHFFFAOYSA-N 0 0 390.490 2.827 10 0 GFAERN COc1cccc(OCc2ccc(C(=O)N3CCN(c4ncccn4)CC3)o2)c1 ZINC000028227778 206035652 /nfs/dbraw/zinc/03/56/52/206035652.db2.gz CVISQTGRAXLJDI-UHFFFAOYSA-N 0 0 394.431 2.620 10 0 GFAERN Cc1ccc(CN2C[C@H]3CN(Cc4ccc5c(c4)OCCO5)CCN3C2=O)cc1 ZINC000096269153 206120514 /nfs/dbraw/zinc/12/05/14/206120514.db2.gz HODVRERDPHACLU-HXUWFJFHSA-N 0 0 393.487 2.888 10 0 GFAERN COc1ccc(C(=O)N2CCN3C(=O)N(Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC000096269093 206122055 /nfs/dbraw/zinc/12/20/55/206122055.db2.gz OPVYXQKXCPNOSA-LJQANCHMSA-N 0 0 379.460 2.766 10 0 GFAERN CN(Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1)Cc1ccccn1 ZINC000055308808 206209864 /nfs/dbraw/zinc/20/98/64/206209864.db2.gz ATBOPKNAAAOZQP-UHFFFAOYSA-N 0 0 398.532 2.946 10 0 GFAERN Cc1nc2cc(N3CCC(C(=O)NCc4ccncc4)CC3)cnc2nc1C ZINC000065227449 136160485 /nfs/dbraw/zinc/16/04/85/136160485.db2.gz GRERPIRVTBNJSN-UHFFFAOYSA-N 0 0 376.464 2.569 10 0 GFAERN Nc1ccc(N2CCOCC2)c(NC(=O)c2cncc(Br)c2)c1 ZINC000226252621 136192555 /nfs/dbraw/zinc/19/25/55/136192555.db2.gz SOSZWIRUBWDDOK-UHFFFAOYSA-N 0 0 377.242 2.515 10 0 GFAERN CCC(=O)Nc1nnc(SCc2cc(=O)n3nc(C(C)C)sc3n2)s1 ZINC000020983564 551116271 /nfs/dbraw/zinc/11/62/71/551116271.db2.gz IJMKOKUPKJPRTB-UHFFFAOYSA-N 0 0 396.523 2.767 10 0 GFAERN C[C@H](NC(=O)c1cccc(OCC(N)=O)c1)c1cccc(Br)c1 ZINC000030463806 551127884 /nfs/dbraw/zinc/12/78/84/551127884.db2.gz SSGPWWCPQOVUOR-NSHDSACASA-N 0 0 377.238 2.804 10 0 GFAERN C[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCOCC1)[C@H]1CCCO1 ZINC000047805981 551153649 /nfs/dbraw/zinc/15/36/49/551153649.db2.gz WSWGQQGLQJGVEH-MLGOLLRUSA-N 0 0 398.301 2.975 10 0 GFAERN CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000048004004 551155406 /nfs/dbraw/zinc/15/54/06/551155406.db2.gz NMIJTRZAJAPTGC-CYBMUJFWSA-N 0 0 389.323 2.927 10 0 GFAERN O=C(CCSCc1ccccn1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000066410463 551187174 /nfs/dbraw/zinc/18/71/74/551187174.db2.gz ARJMXJMXZIMPLG-MRXNPFEDSA-N 0 0 376.503 2.740 10 0 GFAERN C[C@@H]1COC[C@H](C)N1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000120760778 551221764 /nfs/dbraw/zinc/22/17/64/551221764.db2.gz JRVWQLWZPRLDIV-LOWVWBTDSA-N 0 0 378.694 2.951 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)c2cc(C)c(Br)cc2C)n1 ZINC000121128782 551227879 /nfs/dbraw/zinc/22/78/79/551227879.db2.gz LAOKEWTXADVCKC-CQSZACIVSA-N 0 0 380.242 2.971 10 0 GFAERN C[C@@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1cccc(Br)c1 ZINC000121195651 551229272 /nfs/dbraw/zinc/22/92/72/551229272.db2.gz MSVNVBAFUACICF-LLVKDONJSA-N 0 0 396.285 2.737 10 0 GFAERN O=C(CCc1ccccc1Br)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127102220 551336542 /nfs/dbraw/zinc/33/65/42/551336542.db2.gz IMIHAYOQIIRPIJ-CQSZACIVSA-N 0 0 377.286 2.912 10 0 GFAERN O=C(Nc1cccnc1Br)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000127170171 551337614 /nfs/dbraw/zinc/33/76/14/551337614.db2.gz LQVUTXQMADOBSC-LLVKDONJSA-N 0 0 395.282 2.993 10 0 GFAERN Cc1nn(C)c(OCC(F)(F)F)c1CN1CCO[C@@H](c2nccs2)C1 ZINC000129288500 551355500 /nfs/dbraw/zinc/35/55/00/551355500.db2.gz DAVLIXMFJIIXKR-GFCCVEGCSA-N 0 0 376.404 2.700 10 0 GFAERN O=C(Cc1ccc(Br)c(F)c1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000152118280 551426298 /nfs/dbraw/zinc/42/62/98/551426298.db2.gz KETXZBDLTAUUSA-CYBMUJFWSA-N 0 0 393.260 2.706 10 0 GFAERN C[C@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)s1 ZINC000152206889 551428388 /nfs/dbraw/zinc/42/83/88/551428388.db2.gz ZFRMASBZMUAGSZ-JTQLQIEISA-N 0 0 379.935 2.528 10 0 GFAERN Cc1nn(C)c(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1-c1ccc(Br)cc1 ZINC000152231206 551428930 /nfs/dbraw/zinc/42/89/30/551428930.db2.gz ASWNFBCKLJKBHE-ZANVPECISA-N 0 0 391.269 2.621 10 0 GFAERN NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)cc1Cl ZINC000153156614 551447450 /nfs/dbraw/zinc/44/74/50/551447450.db2.gz HTOSPUKYGAWHIQ-HNNXBMFYSA-N 0 0 382.844 2.934 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153372530 551451058 /nfs/dbraw/zinc/45/10/58/551451058.db2.gz MMHGRUKDERLUNQ-ABAIWWIYSA-N 0 0 382.482 2.748 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)COc2ccccc2Br)C1 ZINC000153465924 551453380 /nfs/dbraw/zinc/45/33/80/551453380.db2.gz GVMWSSZXLFWSGD-ZDUSSCGKSA-N 0 0 393.285 2.846 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000153662117 551457569 /nfs/dbraw/zinc/45/75/69/551457569.db2.gz INNPJQFABWVMOS-NOZJJQNGSA-N 0 0 389.677 2.708 10 0 GFAERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3cc(Cl)cnc3N)C2)n1 ZINC000153839385 551461433 /nfs/dbraw/zinc/46/14/33/551461433.db2.gz IIYPRGDMDAOMRN-JTQLQIEISA-N 0 0 386.930 2.904 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)c(I)c1 ZINC000153994666 551464874 /nfs/dbraw/zinc/46/48/74/551464874.db2.gz OBNQGKYPPWIKFE-NEPJUHHUSA-N 0 0 379.625 2.978 10 0 GFAERN CC(C)[C@H](O)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000154388782 551474301 /nfs/dbraw/zinc/47/43/01/551474301.db2.gz ZDCXWMDIRJWMLJ-CYBMUJFWSA-N 0 0 375.332 2.562 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000154541850 551477584 /nfs/dbraw/zinc/47/75/84/551477584.db2.gz BQOHUZUCKGXZBH-BBRMVZONSA-N 0 0 395.276 2.784 10 0 GFAERN CCc1nnc(NC(=O)[C@H]2CCC[C@@H]2C(=O)Nc2nnc(CC)s2)s1 ZINC000154781963 551482943 /nfs/dbraw/zinc/48/29/43/551482943.db2.gz OXQQLHURARELRR-IUCAKERBSA-N 0 0 380.499 2.508 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1c(F)cccc1Br ZINC000155344391 551498090 /nfs/dbraw/zinc/49/80/90/551498090.db2.gz ZWHMAGUIZCDZSI-NSHDSACASA-N 0 0 383.221 2.591 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)ccc1F ZINC000155422545 551499427 /nfs/dbraw/zinc/49/94/27/551499427.db2.gz QWWGLYUWOZPIKC-GFCCVEGCSA-N 0 0 383.221 2.591 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3c[nH]c4cccc(Br)c34)CCO2)[nH]1 ZINC000156528942 551524446 /nfs/dbraw/zinc/52/44/46/551524446.db2.gz KRVVHMUCYQACBR-ZDUSSCGKSA-N 0 0 390.241 2.571 10 0 GFAERN COc1cc(CNC(=O)N[C@H](C)[C@@H]2CCCO2)cc(Br)c1OC ZINC000157215389 551534875 /nfs/dbraw/zinc/53/48/75/551534875.db2.gz UOBXELNBOWRYHL-MFKMUULPSA-N 0 0 387.274 2.833 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccccc1Br ZINC000157277499 551535923 /nfs/dbraw/zinc/53/59/23/551535923.db2.gz MVOWEZFBTSKKRP-ZDUSSCGKSA-N 0 0 394.273 2.521 10 0 GFAERN C[C@H]1COC[C@H](C)N1C(=O)c1cc(F)c(F)cc1I ZINC000157436974 551538014 /nfs/dbraw/zinc/53/80/14/551538014.db2.gz WQGLFNRVYIVTDV-YUMQZZPRSA-N 0 0 381.160 2.819 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3cc(C)c(Br)cc3C)CCO2)[nH]1 ZINC000157972094 551545454 /nfs/dbraw/zinc/54/54/54/551545454.db2.gz SDAGNAMOLTXFNM-CQSZACIVSA-N 0 0 393.285 2.960 10 0 GFAERN COc1cc(Br)c(CN2CCO[C@H](Cn3cccn3)C2)cc1OC ZINC000171512788 551657564 /nfs/dbraw/zinc/65/75/64/551657564.db2.gz ZCVFAPYTWVJEAT-AWEZNQCLSA-N 0 0 396.285 2.564 10 0 GFAERN C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCS1 ZINC000171571861 551658360 /nfs/dbraw/zinc/65/83/60/551658360.db2.gz KOVILEKLCCQEMI-RYUDHWBXSA-N 0 0 383.311 2.766 10 0 GFAERN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCS[C@H](C)C1 ZINC000171574269 551658561 /nfs/dbraw/zinc/65/85/61/551658561.db2.gz KHODTPACSYEPBH-DOMZBBRYSA-N 0 0 382.913 2.917 10 0 GFAERN C[C@@H]1CN(CC(=O)Nc2ccc(I)cc2)CCS1 ZINC000171702678 551661367 /nfs/dbraw/zinc/66/13/67/551661367.db2.gz CIEUYJAVKYAOLW-SNVBAGLBSA-N 0 0 376.263 2.667 10 0 GFAERN COC(=O)[C@@H]1CCCCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000171883414 551665756 /nfs/dbraw/zinc/66/57/56/551665756.db2.gz ULEBWYCRWNMNNA-AWEZNQCLSA-N 0 0 394.269 2.950 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCc3ccc(Cl)s3)CCO2)n1 ZINC000171902591 551666301 /nfs/dbraw/zinc/66/63/01/551666301.db2.gz VVEZTMXIXHCJJA-AWEZNQCLSA-N 0 0 382.917 2.868 10 0 GFAERN CC[C@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)CCN1CCOC ZINC000172229239 551673901 /nfs/dbraw/zinc/67/39/01/551673901.db2.gz UIDDBXDHBKTZMQ-LBPRGKRZSA-N 0 0 382.555 2.607 10 0 GFAERN COc1ccc(Br)cc1CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000173049443 551693870 /nfs/dbraw/zinc/69/38/70/551693870.db2.gz JZMKUXKYJGSNAY-GFCCVEGCSA-N 0 0 378.270 2.750 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)CSCc3cccc(Cl)c3)CCO2)[nH]1 ZINC000173095606 551695842 /nfs/dbraw/zinc/69/58/42/551695842.db2.gz PVAGHLOAFXVWTM-AWEZNQCLSA-N 0 0 380.901 2.854 10 0 GFAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000173809437 552092737 /nfs/dbraw/zinc/09/27/37/552092737.db2.gz OUNAYPZDHQNIHO-PILAGYSTSA-N 0 0 393.325 2.732 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000173840786 552093524 /nfs/dbraw/zinc/09/35/24/552093524.db2.gz AYVAJHLRIUYUGM-AWEZNQCLSA-N 0 0 384.299 2.807 10 0 GFAERN C[C@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000173843411 552093915 /nfs/dbraw/zinc/09/39/15/552093915.db2.gz QUKLTNHKKSXYBQ-WMLDXEAASA-N 0 0 395.341 2.906 10 0 GFAERN C[C@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)c1ccccc1Br ZINC000174117248 552099458 /nfs/dbraw/zinc/09/94/58/552099458.db2.gz DFVJERXRUNYPBV-ZDUSSCGKSA-N 0 0 392.301 2.775 10 0 GFAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCCC[C@H]1c1nccs1 ZINC000174608824 552106780 /nfs/dbraw/zinc/10/67/80/552106780.db2.gz NPLKHMHLBXOTSD-JTQLQIEISA-N 0 0 398.282 2.982 10 0 GFAERN Cc1cc(I)ccc1NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000175863770 552130158 /nfs/dbraw/zinc/13/01/58/552130158.db2.gz LEYVEQIDEFEHNJ-GFCCVEGCSA-N 0 0 397.220 2.848 10 0 GFAERN O=C(Nc1ccccc1I)N[C@H]1CCCn2ncnc21 ZINC000175862876 552130305 /nfs/dbraw/zinc/13/03/05/552130305.db2.gz XMEMUDVLMDEIKL-NSHDSACASA-N 0 0 383.193 2.539 10 0 GFAERN Cc1cc(CCC(=O)N2CCO[C@H](Cn3cccn3)C2)ccc1Br ZINC000176054526 552134862 /nfs/dbraw/zinc/13/48/62/552134862.db2.gz ILPFPVPQOKCAJU-INIZCTEOSA-N 0 0 392.297 2.814 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cc(Br)ccc3C)CCO2)[nH]1 ZINC000177027670 552149880 /nfs/dbraw/zinc/14/98/80/552149880.db2.gz DNURBFIOQDCQLI-ZDUSSCGKSA-N 0 0 380.246 2.789 10 0 GFAERN C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)c1cccs1 ZINC000178897246 552178971 /nfs/dbraw/zinc/17/89/71/552178971.db2.gz OUHNCKCMDWLROV-QMMMGPOBSA-N 0 0 389.296 2.649 10 0 GFAERN CC(=O)N[C@H]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179307544 552189700 /nfs/dbraw/zinc/18/97/00/552189700.db2.gz YLWVMQNSHACJKE-INIZCTEOSA-N 0 0 377.286 2.735 10 0 GFAERN COc1ccc(Br)c(CN2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000179488418 552194714 /nfs/dbraw/zinc/19/47/14/552194714.db2.gz YSGPXMSXBMYCQC-UHFFFAOYSA-N 0 0 395.301 2.857 10 0 GFAERN CSc1nsc(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)n1 ZINC000179513037 552195003 /nfs/dbraw/zinc/19/50/03/552195003.db2.gz RLWNUTXFMCOGSR-SNVBAGLBSA-N 0 0 379.515 2.947 10 0 GFAERN Cc1cnc(CCN(C)C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000179495905 552195172 /nfs/dbraw/zinc/19/51/72/552195172.db2.gz QLKPKHCBAXUWEH-CQSZACIVSA-N 0 0 379.507 2.554 10 0 GFAERN COC[C@H](C)NC(=O)NC(=O)CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179537888 552195750 /nfs/dbraw/zinc/19/57/50/552195750.db2.gz PFDSOGCVYJHHGH-DTWKUNHWSA-N 0 0 380.247 2.644 10 0 GFAERN COCCCN(C(=O)N[C@H](C)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000179570713 552196753 /nfs/dbraw/zinc/19/67/53/552196753.db2.gz ZOHUJVKAICOTKF-VXGBXAGGSA-N 0 0 394.946 2.698 10 0 GFAERN CN(C(=O)c1ccc(Br)cc1O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000179590766 552197277 /nfs/dbraw/zinc/19/72/77/552197277.db2.gz XJOIMDAWTPQDCG-CYBMUJFWSA-N 0 0 391.269 2.686 10 0 GFAERN CC[C@H](O)C[NH+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000180164134 552215752 /nfs/dbraw/zinc/21/57/52/552215752.db2.gz JHZIDUJBNUYVIX-ZDUSSCGKSA-N 0 0 393.272 2.939 10 0 GFAERN O=C1[C@H](N2CC[C@H](N3CCOCC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000181121096 552247308 /nfs/dbraw/zinc/24/73/08/552247308.db2.gz QNFQSLDWBLEARA-WMLDXEAASA-N 0 0 384.307 2.505 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCc1ccc(Br)cc1)CC2 ZINC000181567719 552261074 /nfs/dbraw/zinc/26/10/74/552261074.db2.gz UMMHYQREBQOBAC-AWEZNQCLSA-N 0 0 392.301 2.978 10 0 GFAERN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182377710 552281897 /nfs/dbraw/zinc/28/18/97/552281897.db2.gz VHCCOGADKQXYNT-UXIGCNINSA-N 0 0 392.304 2.764 10 0 GFAERN C[C@@H]1CN(C(=O)CCc2cc(F)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000182484185 552285394 /nfs/dbraw/zinc/28/53/94/552285394.db2.gz QJTJGXSUKCUVGO-DYVFJYSZSA-N 0 0 399.304 2.700 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183535801 552312507 /nfs/dbraw/zinc/31/25/07/552312507.db2.gz FEQWDBYLIVZEID-CABZTGNLSA-N 0 0 376.787 2.547 10 0 GFAERN O=C(N[C@H]1CCCn2ncnc21)N1CCc2c(Br)ccc(F)c2C1 ZINC000183669440 552316296 /nfs/dbraw/zinc/31/62/96/552316296.db2.gz PQMJVMUPKDNWDQ-AWEZNQCLSA-N 0 0 394.248 2.783 10 0 GFAERN Cc1csc([C@@H]2CCCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)C2)n1 ZINC000184962964 552349632 /nfs/dbraw/zinc/34/96/32/552349632.db2.gz IBHWFHOCDJHVLK-LLVKDONJSA-N 0 0 394.444 2.779 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1csc(Br)c1C ZINC000185717379 552369479 /nfs/dbraw/zinc/36/94/79/552369479.db2.gz FTFQMMMFGWEOSW-JTQLQIEISA-N 0 0 385.287 2.822 10 0 GFAERN CNC(=O)[C@H](NC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)C(C)C ZINC000185882488 552372919 /nfs/dbraw/zinc/37/29/19/552372919.db2.gz JLTHOHBNEHRNRH-CQSZACIVSA-N 0 0 387.311 2.596 10 0 GFAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000186274819 552383245 /nfs/dbraw/zinc/38/32/45/552383245.db2.gz PSDIYVWRRFUDRF-GFCCVEGCSA-N 0 0 384.807 2.600 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000186655362 552393812 /nfs/dbraw/zinc/39/38/12/552393812.db2.gz KMHXXTPAJNKNMX-LBPRGKRZSA-N 0 0 389.279 2.770 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000186657507 552394223 /nfs/dbraw/zinc/39/42/23/552394223.db2.gz RTBMMAXUXWWZMX-LBPRGKRZSA-N 0 0 387.249 2.599 10 0 GFAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000186757768 552396858 /nfs/dbraw/zinc/39/68/58/552396858.db2.gz OCNDDUMVHAPJNE-CQSZACIVSA-N 0 0 382.917 2.637 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(OC)c(Br)n2)C12CCOCC2 ZINC000187076429 552405737 /nfs/dbraw/zinc/40/57/37/552405737.db2.gz XMRXWOCJQMZMKH-ZIAGYGMSSA-N 0 0 399.285 2.557 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)c2cc(Br)ccc2O)C12CCOCC2 ZINC000187150936 552407693 /nfs/dbraw/zinc/40/76/93/552407693.db2.gz YVGDICAPGSNANK-LSDHHAIUSA-N 0 0 384.270 2.859 10 0 GFAERN C[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)c1cccc(Br)c1 ZINC000187195636 552408646 /nfs/dbraw/zinc/40/86/46/552408646.db2.gz RXJKRNCLDZLPRH-GWCFXTLKSA-N 0 0 377.229 2.592 10 0 GFAERN O=C(CSCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)c1ccccc1 ZINC000187563979 552418846 /nfs/dbraw/zinc/41/88/46/552418846.db2.gz PMFAVGAVZGIPPY-IRXDYDNUSA-N 0 0 375.515 2.899 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)NCc3ccccc3Br)CCO2)cn1 ZINC000187886474 552427328 /nfs/dbraw/zinc/42/73/28/552427328.db2.gz SGWOISUKDWDMDJ-MRXNPFEDSA-N 0 0 393.285 2.949 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000188086250 552434105 /nfs/dbraw/zinc/43/41/05/552434105.db2.gz QGJRHSCEUCUKDQ-NSHDSACASA-N 0 0 376.869 2.632 10 0 GFAERN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC[C@H](Cn2cncn2)C1 ZINC000188159914 552437577 /nfs/dbraw/zinc/43/75/77/552437577.db2.gz JZSPTFJDNORTBT-SNVBAGLBSA-N 0 0 393.271 2.825 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccc(C)c(Br)c3)CCO2)[nH]1 ZINC000188200286 552439045 /nfs/dbraw/zinc/43/90/45/552439045.db2.gz OUVUXAXMWVZSMT-CQSZACIVSA-N 0 0 393.285 2.581 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)N2CCSCC[C@H]2C)N2CCOCC2)s1 ZINC000189444270 552472158 /nfs/dbraw/zinc/47/21/58/552472158.db2.gz HUYZMCXBUKRCBM-GDBMZVCRSA-N 0 0 383.583 2.967 10 0 GFAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)C2)no1 ZINC000189589840 552475244 /nfs/dbraw/zinc/47/52/44/552475244.db2.gz DWTOYHUSDDQYCM-GFCCVEGCSA-N 0 0 387.864 2.955 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000189576106 552475520 /nfs/dbraw/zinc/47/55/20/552475520.db2.gz YBHWWEHIAPDPIL-CYBMUJFWSA-N 0 0 376.881 2.690 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)CC2 ZINC000189616019 552475931 /nfs/dbraw/zinc/47/59/31/552475931.db2.gz DAPDSHFGKCBRDX-VIFPVBQESA-N 0 0 376.873 2.690 10 0 GFAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(F)c(Br)c2)C1 ZINC000190042788 552485929 /nfs/dbraw/zinc/48/59/29/552485929.db2.gz VULOAJXVZHURQN-MFKMUULPSA-N 0 0 384.205 2.882 10 0 GFAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190153917 552488739 /nfs/dbraw/zinc/48/87/39/552488739.db2.gz SPBQALSYCKPJEF-CQSZACIVSA-N 0 0 377.242 2.865 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@H]1C ZINC000190678725 552505912 /nfs/dbraw/zinc/50/59/12/552505912.db2.gz RBZLKRWNMUUXKO-NXEZZACHSA-N 0 0 392.244 2.646 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCc1cc(Cl)ccc1Br ZINC000191502746 552530253 /nfs/dbraw/zinc/53/02/53/552530253.db2.gz UABNXNLQXUZPTL-SNVBAGLBSA-N 0 0 388.693 2.565 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)[C@H]1CCCO1 ZINC000191928686 552543228 /nfs/dbraw/zinc/54/32/28/552543228.db2.gz YVIVLYRUYSDUOF-LDYMZIIASA-N 0 0 375.650 2.725 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cccc(Br)c3F)CCO2)n1 ZINC000192093882 552550928 /nfs/dbraw/zinc/55/09/28/552550928.db2.gz WEKNOGVUEWJXGQ-CYBMUJFWSA-N 0 0 396.260 2.943 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)C2)cn1 ZINC000193560247 552996524 /nfs/dbraw/zinc/99/65/24/552996524.db2.gz ONEZISLMNUOJJX-MEDUHNTESA-N 0 0 376.254 2.502 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000193942912 553007815 /nfs/dbraw/zinc/00/78/15/553007815.db2.gz MJIYVLZKROBUBW-INIZCTEOSA-N 0 0 378.475 2.588 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)[C@@H]2Cc3cc(Br)ccc3O2)cn1 ZINC000194257837 553016069 /nfs/dbraw/zinc/01/60/69/553016069.db2.gz MQLCTQKPNDMCGO-ZBFHGGJFSA-N 0 0 376.254 2.850 10 0 GFAERN CS(=O)(=O)c1cc(C(=O)N[C@@H]2COc3ccccc32)ccc1Br ZINC000194642650 553026420 /nfs/dbraw/zinc/02/64/20/553026420.db2.gz SEBARZYRHVXGDF-CYBMUJFWSA-N 0 0 396.262 2.716 10 0 GFAERN C[C@H](c1ccccc1Br)N(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000195056860 553036813 /nfs/dbraw/zinc/03/68/13/553036813.db2.gz VONLXRMHSQWWRH-UONOGXRCSA-N 0 0 384.318 2.872 10 0 GFAERN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@@H]1CNC(=O)C1 ZINC000195357999 553046137 /nfs/dbraw/zinc/04/61/37/553046137.db2.gz XTBOLUMUCMQSFR-JTQLQIEISA-N 0 0 380.267 2.571 10 0 GFAERN COc1cc(-n2ccc(I)n2)c(Br)cn1 ZINC000217742426 553053533 /nfs/dbraw/zinc/05/35/33/553053533.db2.gz DNCVFVFLYARIGW-UHFFFAOYSA-N 0 0 379.983 2.643 10 0 GFAERN O=C(c1ccc(I)c(O)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000230889347 553065736 /nfs/dbraw/zinc/06/57/36/553065736.db2.gz DGLQBEKQGDVFQT-TZMCWYRMSA-N 0 0 387.217 2.780 10 0 GFAERN O=C(NC[C@@H]1CCC[C@@H]1O)c1cc(Cl)ccc1I ZINC000231563628 553066430 /nfs/dbraw/zinc/06/64/30/553066430.db2.gz WVHRSTDFCGVQMJ-UFBFGSQYSA-N 0 0 379.625 2.835 10 0 GFAERN CC[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246720954 553111947 /nfs/dbraw/zinc/11/19/47/553111947.db2.gz DQHMTRHKJDSORC-YOEHRIQHSA-N 0 0 395.341 2.784 10 0 GFAERN COCCN1CCN(C(=O)N[C@H](C)c2cccc(Br)c2)C[C@@H]1C ZINC000247215791 553120271 /nfs/dbraw/zinc/12/02/71/553120271.db2.gz VCLGPWCYZRQGBL-UONOGXRCSA-N 0 0 384.318 2.872 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2csc(Br)c2)CC1 ZINC000262865234 553177451 /nfs/dbraw/zinc/17/74/51/553177451.db2.gz BYERLJNWQWTTQI-NSHDSACASA-N 0 0 375.288 2.522 10 0 GFAERN CO[C@@]1(C(=O)Nc2cc(Cl)ccc2I)CCOC1 ZINC000297833422 563337087 /nfs/dbraw/zinc/33/70/87/563337087.db2.gz QULDXKORZJNCBR-LBPRGKRZSA-N 0 0 381.597 2.689 10 0 GFAERN CSc1nc2ncnc(N3CCC[C@@H](C(=O)NCC(F)(F)F)C3)c2s1 ZINC000301475326 563404115 /nfs/dbraw/zinc/40/41/15/563404115.db2.gz SBRBOTXNHAXWLL-MRVPVSSYSA-N 0 0 391.444 2.703 10 0 GFAERN CN(CCN1CCOC1=O)c1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000302411701 563425091 /nfs/dbraw/zinc/42/50/91/563425091.db2.gz HXWDQPNHGBHSHR-UHFFFAOYSA-N 0 0 377.857 3.000 10 0 GFAERN Cc1cnn(CCNS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000282984609 563431705 /nfs/dbraw/zinc/43/17/05/563431705.db2.gz MJBMDRGFTGUMJF-UHFFFAOYSA-N 0 0 378.679 2.586 10 0 GFAERN COc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)cc1Cl ZINC000328626918 563461591 /nfs/dbraw/zinc/46/15/91/563461591.db2.gz MELYMSMRYDTHHJ-JTQLQIEISA-N 0 0 390.292 2.739 10 0 GFAERN COc1cccc(CN2COc3ccc(Br)cc3S2(=O)=O)c1 ZINC000669385179 565687398 /nfs/dbraw/zinc/68/73/98/565687398.db2.gz HULXCUMIWCRKRQ-UHFFFAOYSA-N 0 0 384.251 2.999 10 0 GFAERN CCCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000034899557 570343379 /nfs/dbraw/zinc/34/33/79/570343379.db2.gz JRKNEYZEOXHFMP-WOJBJXKFSA-N 0 0 399.535 2.883 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Br)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000015555913 654511133 /nfs/dbraw/zinc/51/11/33/654511133.db2.gz VCZBNYJKEDGHOI-MRVPVSSYSA-N 0 0 389.296 2.649 10 0 GFAERN C[C@@H](NC(=O)c1cc(Br)cn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000016263364 654516819 /nfs/dbraw/zinc/51/68/19/654516819.db2.gz ZQRURKZUMHYOBO-SNVBAGLBSA-N 0 0 385.283 2.682 10 0 GFAERN Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)ccc1Br ZINC000025381630 654549394 /nfs/dbraw/zinc/54/93/94/654549394.db2.gz RRYGCYFCMJTANS-HNNXBMFYSA-N 0 0 376.254 2.976 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000027915162 654566655 /nfs/dbraw/zinc/56/66/55/654566655.db2.gz WXIBBQOHKYXBRT-WBMJQRKESA-N 0 0 388.917 2.668 10 0 GFAERN C[C@@H](NC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1Br ZINC000030982666 654590991 /nfs/dbraw/zinc/59/09/91/654590991.db2.gz QXDFURKIPBBOBY-SNVBAGLBSA-N 0 0 398.282 2.979 10 0 GFAERN O=S(=O)(N[C@@H]1CCC[C@@H]1n1ccnc1)c1ccc(Br)s1 ZINC000042435234 654639896 /nfs/dbraw/zinc/63/98/96/654639896.db2.gz TZWCXCFWSWWNNK-ZJUUUORDSA-N 0 0 376.301 2.779 10 0 GFAERN CCN(C(=O)N[C@H](C)c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000049789280 654716082 /nfs/dbraw/zinc/71/60/82/654716082.db2.gz MRCIMJSDHRWCHC-NEPJUHHUSA-N 0 0 389.315 2.729 10 0 GFAERN NC(=O)c1ccccc1COC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000124119916 654771208 /nfs/dbraw/zinc/77/12/08/654771208.db2.gz BLVNFFMZOSOGGY-CQSZACIVSA-N 0 0 376.206 2.767 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCSc1ccc(F)cc1 ZINC000055416011 654774695 /nfs/dbraw/zinc/77/46/95/654774695.db2.gz CYKFPXVTZGLAIR-INIZCTEOSA-N 0 0 388.530 2.628 10 0 GFAERN C[C@H]1COC[C@H](C)N1C(=O)c1cc(I)c(F)cc1F ZINC000124364548 654775532 /nfs/dbraw/zinc/77/55/32/654775532.db2.gz FOUZXDKFBKCICQ-YUMQZZPRSA-N 0 0 381.160 2.819 10 0 GFAERN O=C(Cc1ccc(F)c(Br)c1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000125043355 654787154 /nfs/dbraw/zinc/78/71/54/654787154.db2.gz MNEKODZLOPZAHG-CYBMUJFWSA-N 0 0 393.260 2.706 10 0 GFAERN C[C@@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccccc1Br ZINC000125268175 654790065 /nfs/dbraw/zinc/79/00/65/654790065.db2.gz TVZZVEXWCBVTDZ-LLVKDONJSA-N 0 0 376.254 2.837 10 0 GFAERN Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H](C)c2ccccc2C)s1 ZINC000125598202 654799120 /nfs/dbraw/zinc/79/91/20/654799120.db2.gz PHXWESXXNSYNQL-AWEZNQCLSA-N 0 0 381.523 2.704 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000126237182 654811125 /nfs/dbraw/zinc/81/11/25/654811125.db2.gz ZIMPUSWEEJUKIM-INIZCTEOSA-N 0 0 384.929 2.692 10 0 GFAERN Cc1cnn(C[C@@H]2CN(CCOc3ccccc3Br)CCO2)c1 ZINC000126681443 654818658 /nfs/dbraw/zinc/81/86/58/654818658.db2.gz KVXBPULCGVKDNW-HNNXBMFYSA-N 0 0 380.286 2.734 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1cc(F)cc(Br)c1 ZINC000131405844 654905520 /nfs/dbraw/zinc/90/55/20/654905520.db2.gz UCIAGRXOCUIEHW-CYBMUJFWSA-N 0 0 394.262 2.698 10 0 GFAERN O=S(=O)(c1sccc1Br)N1CC[C@@H](Oc2cccnc2)C1 ZINC000132659485 654944804 /nfs/dbraw/zinc/94/48/04/654944804.db2.gz HUCMHDPXCLDCAD-LLVKDONJSA-N 0 0 389.296 2.748 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1ccccc1Br)CC2 ZINC000133994410 654979858 /nfs/dbraw/zinc/97/98/58/654979858.db2.gz SSKOYRCPLSSBNF-ZDUSSCGKSA-N 0 0 377.286 2.838 10 0 GFAERN C[C@@H](NC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1ccc(OC(F)(F)F)cc1 ZINC000069922611 654989530 /nfs/dbraw/zinc/98/95/30/654989530.db2.gz OPILWIVLHCZTTP-GHMZBOCLSA-N 0 0 382.404 2.721 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(OC)c(Br)s2)C[C@H]1C ZINC000135095154 655009472 /nfs/dbraw/zinc/00/94/72/655009472.db2.gz XTXHCONOGJHVTE-LLVKDONJSA-N 0 0 391.331 2.702 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(Br)nc1)c1ccc(F)c(F)c1 ZINC000151089939 655047822 /nfs/dbraw/zinc/04/78/22/655047822.db2.gz UWOWHKKCJNUOCK-QMMMGPOBSA-N 0 0 384.180 2.938 10 0 GFAERN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@@H](C)C1CCOCC1 ZINC000151593850 655052985 /nfs/dbraw/zinc/05/29/85/655052985.db2.gz QICPBRQJWFOGEX-UWVGGRQHSA-N 0 0 390.299 2.987 10 0 GFAERN CCOC(=O)C1CCN(C(=O)CN[C@H](C)c2ccccc2Br)CC1 ZINC000102683921 655057918 /nfs/dbraw/zinc/05/79/18/655057918.db2.gz YLLGNWZLNACMKE-CYBMUJFWSA-N 0 0 397.313 2.901 10 0 GFAERN CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)N1CCOCC1 ZINC000102801721 655061280 /nfs/dbraw/zinc/06/12/80/655061280.db2.gz MJRDTPNXDQKMJW-LBPRGKRZSA-N 0 0 386.290 2.690 10 0 GFAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000104681950 655084125 /nfs/dbraw/zinc/08/41/25/655084125.db2.gz DZBPCKMIWCUCQO-STQMWFEESA-N 0 0 382.283 2.506 10 0 GFAERN COc1ccc(Br)cc1CN1CCCN(Cc2noc(C)n2)CC1 ZINC000106148247 655104037 /nfs/dbraw/zinc/10/40/37/655104037.db2.gz NVRPEZQMXXFFRI-UHFFFAOYSA-N 0 0 395.301 2.857 10 0 GFAERN Brc1ccc(-c2nnc(CN3CCC[C@H](Cn4cncn4)C3)o2)o1 ZINC000106175106 655104530 /nfs/dbraw/zinc/10/45/30/655104530.db2.gz HZAOISVXVSBGCX-NSHDSACASA-N 0 0 393.245 2.596 10 0 GFAERN CCCC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)OC(C)(C)C ZINC000162042505 655129795 /nfs/dbraw/zinc/12/97/95/655129795.db2.gz AIOYNKSMQDZMQX-LLVKDONJSA-N 0 0 379.910 2.561 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)c3ccc(Br)cc3O)CC2)nn1 ZINC000109634367 655149294 /nfs/dbraw/zinc/14/92/94/655149294.db2.gz OKOCYZZQASOSDG-UHFFFAOYSA-N 0 0 391.269 2.606 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000109666718 655150231 /nfs/dbraw/zinc/15/02/31/655150231.db2.gz IPIXXCQWQXPHKL-UHFFFAOYSA-N 0 0 381.933 2.667 10 0 GFAERN Cn1cc([C@H]2CCCN2Cn2nnn(-c3ccc(Cl)cc3)c2=S)cn1 ZINC000171362113 655151140 /nfs/dbraw/zinc/15/11/40/655151140.db2.gz FUDXPYXPIQWVQH-OAHLLOKOSA-N 0 0 375.889 2.980 10 0 GFAERN CN(C)c1nn(CN2CCN(c3nc4ccccc4o3)CC2)c(=S)s1 ZINC000172497785 655158360 /nfs/dbraw/zinc/15/83/60/655158360.db2.gz LJNNUQFNXFIHFD-UHFFFAOYSA-N 0 0 376.511 2.661 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccccc3Br)CCO2)n1 ZINC000110900034 655161399 /nfs/dbraw/zinc/16/13/99/655161399.db2.gz SKGQPQQPRHILFK-AWEZNQCLSA-N 0 0 378.270 2.804 10 0 GFAERN Cc1cc(N2CCC[C@H](NC(=O)/C=C/c3ccc(Cl)s3)C2=O)n(C)n1 ZINC000173066760 655162387 /nfs/dbraw/zinc/16/23/87/655162387.db2.gz MDABQVJTSBIZQW-CFNZNRNTSA-N 0 0 378.885 2.768 10 0 GFAERN O=C(c1ccc(Br)cc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111077514 655163922 /nfs/dbraw/zinc/16/39/22/655163922.db2.gz BXDJUKXKJSWYND-GFCCVEGCSA-N 0 0 384.661 2.840 10 0 GFAERN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@@H]1Cn1ccnc1 ZINC000173733029 655178368 /nfs/dbraw/zinc/17/83/68/655178368.db2.gz CZNMMQGVHGTYMB-GFCCVEGCSA-N 0 0 375.372 2.635 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3sccc3Br)CC2)n1 ZINC000112035630 655180823 /nfs/dbraw/zinc/18/08/23/655180823.db2.gz IKMUDBVTLWQRGT-SNVBAGLBSA-N 0 0 399.314 2.975 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)CCO2)c1 ZINC000112065118 655181572 /nfs/dbraw/zinc/18/15/72/655181572.db2.gz MBTDMCKXWVZUOW-CQSZACIVSA-N 0 0 396.260 2.563 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1F ZINC000173929024 655186207 /nfs/dbraw/zinc/18/62/07/655186207.db2.gz FQORGJYDSIKNNH-NSHDSACASA-N 0 0 376.425 2.643 10 0 GFAERN O=C(CCSc1ccc(Br)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112656968 655194393 /nfs/dbraw/zinc/19/43/93/655194393.db2.gz VSFIOZLKHFMPRC-LBPRGKRZSA-N 0 0 381.299 2.654 10 0 GFAERN Cc1cnc(CNC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)s1 ZINC000174946750 655210795 /nfs/dbraw/zinc/21/07/95/655210795.db2.gz XTDKZHWRTHDDIB-CQSZACIVSA-N 0 0 380.539 2.728 10 0 GFAERN C[C@H](NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCO1 ZINC000174954119 655211432 /nfs/dbraw/zinc/21/14/32/655211432.db2.gz DGLWTWLEPCVJLR-JOYOIKCWSA-N 0 0 381.782 2.999 10 0 GFAERN C[C@H](OC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@H]1CCOC1 ZINC000175274816 655217542 /nfs/dbraw/zinc/21/75/42/655217542.db2.gz IGUHIUQEDKQFLZ-QWRGUYRKSA-N 0 0 388.233 2.676 10 0 GFAERN C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000175613866 655223775 /nfs/dbraw/zinc/22/37/75/655223775.db2.gz NYELOGAHDQNQIB-CXAGYDPISA-N 0 0 386.323 2.898 10 0 GFAERN COC(=O)CC1(CS(=O)(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000175727787 655226380 /nfs/dbraw/zinc/22/63/80/655226380.db2.gz HQYTWWLSZGLOSW-NSHDSACASA-N 0 0 390.299 2.773 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCc3ccc(Br)cc31)CC2 ZINC000114975179 655231220 /nfs/dbraw/zinc/23/12/20/655231220.db2.gz KVDMWZBHQFVIMW-CYBMUJFWSA-N 0 0 390.285 2.690 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc(Br)s1)CC2 ZINC000114977898 655231252 /nfs/dbraw/zinc/23/12/52/655231252.db2.gz UXFRKGNVZSRYIX-SNVBAGLBSA-N 0 0 398.330 2.821 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)OCCOc1ccccc1Br ZINC000115922944 655243285 /nfs/dbraw/zinc/24/32/85/655243285.db2.gz NKQPGROBSQAEGH-LLVKDONJSA-N 0 0 382.210 2.783 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1ccc(Br)cc1)CC2 ZINC000176398098 655244144 /nfs/dbraw/zinc/24/41/44/655244144.db2.gz MVRVMHQSWGOVKM-AWEZNQCLSA-N 0 0 377.286 2.667 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)CCS1 ZINC000116573702 655249603 /nfs/dbraw/zinc/24/96/03/655249603.db2.gz IVQGYXVQUXSKMR-CANCMXDXSA-N 0 0 382.551 2.636 10 0 GFAERN Cc1cc(Cl)c(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1Cl ZINC000118981315 655285583 /nfs/dbraw/zinc/28/55/83/655285583.db2.gz PINWPKRCSYFUBO-LLVKDONJSA-N 0 0 382.251 2.696 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000177687361 655286151 /nfs/dbraw/zinc/28/61/51/655286151.db2.gz GTGMWYAVMRCHAU-RNCFNFMXSA-N 0 0 397.248 2.907 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1Br ZINC000177983592 655293363 /nfs/dbraw/zinc/29/33/63/655293363.db2.gz IFCDFQVFISWKLO-ZDUSSCGKSA-N 0 0 391.269 2.584 10 0 GFAERN CS(=O)(=O)c1cc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)cs1 ZINC000119301734 655297693 /nfs/dbraw/zinc/29/76/93/655297693.db2.gz GPEGLVMYDPKLFD-UHFFFAOYSA-N 0 0 381.479 2.611 10 0 GFAERN CN(C)c1ncc(Br)cc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119342127 655299696 /nfs/dbraw/zinc/29/96/96/655299696.db2.gz FAADNZIOPPFTAS-SJKOYZFVSA-N 0 0 382.302 2.677 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(F)ccc2Br)cn1 ZINC000119387401 655301997 /nfs/dbraw/zinc/30/19/97/655301997.db2.gz WHIVENMCWHEIFK-AWEZNQCLSA-N 0 0 395.232 2.624 10 0 GFAERN CO[C@]1(C(=O)Nc2ccc(I)cc2Cl)CCOC1 ZINC000277217420 655308235 /nfs/dbraw/zinc/30/82/35/655308235.db2.gz PEAOJLCNNFIHLJ-GFCCVEGCSA-N 0 0 381.597 2.689 10 0 GFAERN C[C@H](OC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(Cl)(Cl)Cl ZINC000180350163 655325814 /nfs/dbraw/zinc/32/58/14/655325814.db2.gz BVKLWEVVGNDMAR-MKPLZMMCSA-N 0 0 382.675 2.632 10 0 GFAERN C[C@@H]1C[C@@H](C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC(C)(C)C1 ZINC000180417079 655326409 /nfs/dbraw/zinc/32/64/09/655326409.db2.gz BMMOVYNAARDISK-VXGBXAGGSA-N 0 0 384.464 2.879 10 0 GFAERN NS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)co1 ZINC000120765189 655343413 /nfs/dbraw/zinc/34/34/13/655343413.db2.gz RBWZHWAHOFUFRS-QPUJVOFHSA-N 0 0 389.260 2.767 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1csc(Br)c1 ZINC000120846095 655345354 /nfs/dbraw/zinc/34/53/54/655345354.db2.gz JTUZIWVLEMQLSE-LLVKDONJSA-N 0 0 396.328 2.758 10 0 GFAERN C[C@@H](NC(=O)N[C@H](C)c1ccccc1Br)c1nnnn1C1CC1 ZINC000190467115 655392282 /nfs/dbraw/zinc/39/22/82/655392282.db2.gz SRXBUFHCGIGFJF-NXEZZACHSA-N 0 0 379.262 2.892 10 0 GFAERN C[C@H]1OCCC[C@@H]1C(=O)Oc1cc([N+](=O)[O-])ccc1I ZINC000192301344 655404474 /nfs/dbraw/zinc/40/44/74/655404474.db2.gz YOMZQLJMSPPOSP-SCZZXKLOSA-N 0 0 391.161 2.920 10 0 GFAERN O=C(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCO[C@H]2CCCC[C@@H]21 ZINC000193593690 655411201 /nfs/dbraw/zinc/41/12/01/655411201.db2.gz APCKKXBTOQKFIV-STQMWFEESA-N 0 0 377.384 2.764 10 0 GFAERN Cc1csc([C@H]2CN(Cn3nc4nc(C)cc(C)n4c3=S)CCO2)n1 ZINC000195295751 655419959 /nfs/dbraw/zinc/41/99/59/655419959.db2.gz ZBRDVMLYAHDVKL-CYBMUJFWSA-N 0 0 376.511 2.673 10 0 GFAERN O=C(O[C@@H]1CCO[C@@]2(CCOC2)C1)[C@H]1COc2ccc(Br)cc21 ZINC000248427423 655432488 /nfs/dbraw/zinc/43/24/88/655432488.db2.gz PGANAACXPQFEOC-IFIJOSMWSA-N 0 0 383.238 2.806 10 0 GFAERN Cc1nc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1Br ZINC000702858689 655521896 /nfs/dbraw/zinc/52/18/96/655521896.db2.gz NVPCGOTXDJOBCC-WCQYABFASA-N 0 0 386.290 2.792 10 0 GFAERN O=C(Nc1cc(Cl)cc2c1OCC2)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000888102588 663178340 /nfs/dbraw/zinc/17/83/40/663178340.db2.gz GJWVQAYUKQFNSA-UHFFFAOYSA-N 0 0 384.885 2.850 10 0 GFAERN CCOC(=O)c1ncc(Br)c(N2CCC[C@@H](n3cc(C)cn3)C2)n1 ZINC000892384943 663371877 /nfs/dbraw/zinc/37/18/77/663371877.db2.gz AFUPXEKWFZMVDZ-GFCCVEGCSA-N 0 0 394.273 2.762 10 0 GFAERN NS(=O)(=O)c1ccc(SCC(=O)N2CCCC[C@H]2c2ccco2)cc1 ZINC000900735705 663720573 /nfs/dbraw/zinc/72/05/73/663720573.db2.gz SZEFLIUULKXORN-HNNXBMFYSA-N 0 0 380.491 2.773 10 0 GFAERN CCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccnc1 ZINC000004733528 204071060 /nfs/dbraw/zinc/07/10/60/204071060.db2.gz WANQJNGGFTWHKP-WOJBJXKFSA-N 0 0 397.475 2.926 10 0 GFAERN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000004882192 204086247 /nfs/dbraw/zinc/08/62/47/204086247.db2.gz GOEZOJWCGGRIAT-UHFFFAOYSA-N 0 0 383.473 2.581 10 0 GFAERN CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000006873961 204217942 /nfs/dbraw/zinc/21/79/42/204217942.db2.gz KUZANVNDSKSIEX-ZDUSSCGKSA-N 0 0 394.880 2.971 10 0 GFAERN O=C(c1ccc(F)cc1)[C@@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000006646109 204187905 /nfs/dbraw/zinc/18/79/05/204187905.db2.gz FFBISRRZTPMMHX-TYSVBCRUSA-N 0 0 391.398 2.849 10 0 GFAERN O=C(CN1C(=O)Cc2ccccc2C1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009053452 204297221 /nfs/dbraw/zinc/29/72/21/204297221.db2.gz IGEJTBJEXOFVQY-UHFFFAOYSA-N 0 0 392.411 2.892 10 0 GFAERN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000012020437 204367891 /nfs/dbraw/zinc/36/78/91/204367891.db2.gz JEOLGECLMCHCOJ-GOSISDBHSA-N 0 0 384.457 2.561 10 0 GFAERN O=C(c1cc2ncccn2n1)N1CC[C@H]2[C@H](CCC(=O)N2CC2CCCCC2)C1 ZINC000012453132 204412231 /nfs/dbraw/zinc/41/22/31/204412231.db2.gz LRUBKXRNSISXDZ-MJGOQNOKSA-N 0 0 395.507 2.763 10 0 GFAERN O=C(c1ccc(NCc2ccccn2)nc1)N1CCC(Cn2cccn2)CC1 ZINC000015073392 204560481 /nfs/dbraw/zinc/56/04/81/204560481.db2.gz VSWGOUUXLGVWFT-UHFFFAOYSA-N 0 0 376.464 2.838 10 0 GFAERN Cc1ccc(Br)cc1N1CC[C@@H](C(=O)NCc2cccnc2)C1=O ZINC000034696795 204972380 /nfs/dbraw/zinc/97/23/80/204972380.db2.gz DCJWZPSSKSHKEZ-HNNXBMFYSA-N 0 0 388.265 2.822 10 0 GFAERN Cc1ccc(C(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3CC(C)C)cc1 ZINC000035480035 204990320 /nfs/dbraw/zinc/99/03/20/204990320.db2.gz FHEIARUESPYWHR-UHFFFAOYSA-N 0 0 390.443 2.658 10 0 GFAERN COc1ccc(-c2cc(C(=O)N(C)Cc3ccnn3C)c3cnn(C)c3n2)cc1 ZINC000036613256 205018020 /nfs/dbraw/zinc/01/80/20/205018020.db2.gz HEAOGMRHBFGVGK-UHFFFAOYSA-N 0 0 390.447 2.650 10 0 GFAERN CCCn1c2ccc(-c3noc(Cc4ccc(F)cc4)n3)cc2[nH]c(=O)c1=O ZINC000064890831 205199234 /nfs/dbraw/zinc/19/92/34/205199234.db2.gz BVJRAQTZFFNUGH-UHFFFAOYSA-N 0 0 380.379 2.880 10 0 GFAERN CC[C@H]1CCCCN1S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)sc1C ZINC000064748075 205193936 /nfs/dbraw/zinc/19/39/36/205193936.db2.gz FFGXCLBPZKEHRE-ZDUSSCGKSA-N 0 0 381.523 2.770 10 0 GFAERN Cc1ccccc1C(=O)N[C@@H](c1nnc(N2CCOCC2)o1)c1ccccc1 ZINC000065209686 205219583 /nfs/dbraw/zinc/21/95/83/205219583.db2.gz TXEMRSWIMKSWFY-GOSISDBHSA-N 0 0 378.432 2.734 10 0 GFAERN O=C(NC1CC1)c1ccnc(N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000067856670 205263752 /nfs/dbraw/zinc/26/37/52/205263752.db2.gz BUGXUJJFJMVAFR-QFIPXVFZSA-N 0 0 383.467 2.935 10 0 GFAERN O=C1CC[C@@]2(CCCN(c3nc4ccccc4n3CCO)C2)CN1CC1CC1 ZINC000077358806 205360830 /nfs/dbraw/zinc/36/08/30/205360830.db2.gz JTTDSQCDHHQBOQ-JOCHJYFZSA-N 0 0 382.508 2.648 10 0 GFAERN Cc1ccc(N(C)c2ccnc(Nc3ccc(C)c(S(N)(=O)=O)c3)n2)cc1N ZINC000095936356 205504133 /nfs/dbraw/zinc/50/41/33/205504133.db2.gz VBBNCTLDGJKRKC-UHFFFAOYSA-N 0 0 398.492 2.835 10 0 GFAERN CCOCc1nn2c(nc(COC(=O)c3cccc(Cl)c3)cc2=O)s1 ZINC000041077269 206196005 /nfs/dbraw/zinc/19/60/05/206196005.db2.gz GGRDLFGFSAVGOW-UHFFFAOYSA-N 0 0 379.825 2.698 10 0 GFAERN Cc1ccsc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCCn2ccnc2)C1 ZINC000012124370 221155342 /nfs/dbraw/zinc/15/53/42/221155342.db2.gz BZNLEADSPZXVKJ-SJORKVTESA-N 0 0 386.521 2.796 10 0 GFAERN CCn1ccc2c(cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)n2C)c1=O ZINC000065118648 136159280 /nfs/dbraw/zinc/15/92/80/136159280.db2.gz UHKHDAPCFOVNAJ-UHFFFAOYSA-N 0 0 392.503 2.939 10 0 GFAERN COc1ccc(CNC(=O)C2CCN(c3cnc(N4CCCC4)nc3)CC2)cc1 ZINC000065166341 136159821 /nfs/dbraw/zinc/15/98/21/136159821.db2.gz HOYPYTIUBPTIFU-UHFFFAOYSA-N 0 0 395.507 2.618 10 0 GFAERN Cc1ccc(CNC(=O)C2CCN(c3ncccc3-c3noc(C)n3)CC2)o1 ZINC000065227596 136160557 /nfs/dbraw/zinc/16/05/57/136160557.db2.gz FBLJPNJAJYDYRJ-UHFFFAOYSA-N 0 0 381.436 2.874 10 0 GFAERN CC[NH+](CC)CCCn1c(=O)c2cc(Cl)ccc2nc1SCC(=O)[O-] ZINC000073660699 520639376 /nfs/dbraw/zinc/63/93/76/520639376.db2.gz URIPWULPKLFIST-UHFFFAOYSA-N 0 0 383.901 2.959 10 0 GFAERN CC[C@H](C)NC(=O)N1CCN(c2cc(-c3ccc(OC)c(OC)c3)ncn2)CC1 ZINC000065007980 536158020 /nfs/dbraw/zinc/15/80/20/536158020.db2.gz CMPVIRXHGASKTR-HNNXBMFYSA-N 0 0 399.495 2.791 10 0 GFAERN COc1ccc(Cl)cc1C(=O)Nc1c(C)nc(N2CCOCC2)nc1C ZINC000224300814 536548619 /nfs/dbraw/zinc/54/86/19/536548619.db2.gz QRGCVPJJSXCTJU-UHFFFAOYSA-N 0 0 376.844 2.844 10 0 GFAERN COC(=O)C[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)c1cccc(Br)c1 ZINC000054820405 551170784 /nfs/dbraw/zinc/17/07/84/551170784.db2.gz XDXUVYXJXFDPSO-TUKIKUTGSA-N 0 0 399.285 2.920 10 0 GFAERN COC[C@@H](C)C(=O)Nc1cc(Br)ccc1Sc1nncn1C ZINC000104362892 551198628 /nfs/dbraw/zinc/19/86/28/551198628.db2.gz RYDNWKZLHUYWNO-SECBINFHSA-N 0 0 385.287 2.950 10 0 GFAERN COC(=O)CSCCNC(=O)N[C@@H](C)c1ccccc1Br ZINC000105645815 551199317 /nfs/dbraw/zinc/19/93/17/551199317.db2.gz AXCTYFCAXFEPOI-JTQLQIEISA-N 0 0 375.288 2.716 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cc(OC)ccc2Br)C1 ZINC000110216423 551203012 /nfs/dbraw/zinc/20/30/12/551203012.db2.gz BFKAVWVQNUXNHX-LBPRGKRZSA-N 0 0 383.286 2.979 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cc(F)ccc3C)CC2)cs1 ZINC000116351465 551212906 /nfs/dbraw/zinc/21/29/06/551212906.db2.gz DMKNDFRXVDRFNB-UHFFFAOYSA-N 0 0 383.514 2.796 10 0 GFAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3F)C2)cn1 ZINC000116370073 551213161 /nfs/dbraw/zinc/21/31/61/551213161.db2.gz LWKWVIMXKXJGTJ-JTQLQIEISA-N 0 0 377.363 2.756 10 0 GFAERN O=C(Nc1cc(F)ccc1Br)C(=O)N[C@@H]1COc2ccccc21 ZINC000119126658 551215338 /nfs/dbraw/zinc/21/53/38/551215338.db2.gz JEQAUNOTXDCZSR-CYBMUJFWSA-N 0 0 379.185 2.777 10 0 GFAERN COC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000120989085 551224367 /nfs/dbraw/zinc/22/43/67/551224367.db2.gz RWNVIQUHJMKRIK-BBRMVZONSA-N 0 0 378.270 2.886 10 0 GFAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1cc(Br)c(F)cc1F ZINC000121351335 551232839 /nfs/dbraw/zinc/23/28/39/551232839.db2.gz PDMOIXSEKPCWER-UFBFGSQYSA-N 0 0 384.242 2.557 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000121683770 551239582 /nfs/dbraw/zinc/23/95/82/551239582.db2.gz REPWBXDOHDQHHZ-NSHDSACASA-N 0 0 382.251 2.737 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000122398339 551297796 /nfs/dbraw/zinc/29/77/96/551297796.db2.gz CRGRFRMSXMEJSL-LLVKDONJSA-N 0 0 379.345 2.678 10 0 GFAERN O=C(NCc1ccc(O)c(Br)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000126300874 551327983 /nfs/dbraw/zinc/32/79/83/551327983.db2.gz VPNNUICCUDJPAS-SUMWQHHRSA-N 0 0 383.286 2.991 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc(Br)c(C)[nH]c1=O ZINC000130321536 551363124 /nfs/dbraw/zinc/36/31/24/551363124.db2.gz CCQCFKBWHXHQDN-GFCCVEGCSA-N 0 0 379.258 2.668 10 0 GFAERN Cc1cc(I)cc(C(=O)N[C@@H]2CCCn3ncnc32)c1C ZINC000151055444 551406677 /nfs/dbraw/zinc/40/66/77/551406677.db2.gz BYHGBFJSGZIHBZ-CYBMUJFWSA-N 0 0 396.232 2.764 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(Br)cc1 ZINC000151245906 551409791 /nfs/dbraw/zinc/40/97/91/551409791.db2.gz BYHILGLBGXUKCJ-ZDUSSCGKSA-N 0 0 379.258 2.633 10 0 GFAERN C[C@@H](NC(=O)c1cc(S(C)(=O)=O)cs1)c1cccc(-n2ccnc2)c1 ZINC000154613254 551479598 /nfs/dbraw/zinc/47/95/98/551479598.db2.gz SKHQATCSUDOFDH-GFCCVEGCSA-N 0 0 375.475 2.828 10 0 GFAERN CNC(=O)[C@H]1CCCN1C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000155291599 551496648 /nfs/dbraw/zinc/49/66/48/551496648.db2.gz BQSJTSOYCIMLLJ-CQSZACIVSA-N 0 0 378.523 2.643 10 0 GFAERN COc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1I ZINC000156154959 551515917 /nfs/dbraw/zinc/51/59/17/551515917.db2.gz FZGGYAPUIGSZFK-DGCLKSJQSA-N 0 0 389.233 2.581 10 0 GFAERN O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000156601182 551525369 /nfs/dbraw/zinc/52/53/69/551525369.db2.gz IWXNRDRLRNGMFP-CABZTGNLSA-N 0 0 389.677 2.708 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000157235687 551535547 /nfs/dbraw/zinc/53/55/47/551535547.db2.gz JTMIRWGGEZWVRQ-FZMZJTMJSA-N 0 0 384.274 2.563 10 0 GFAERN O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)[C@@H]1CNC(=O)C1 ZINC000158414697 551551713 /nfs/dbraw/zinc/55/17/13/551551713.db2.gz QLQCOFOEMOWKKD-GUYCJALGSA-N 0 0 391.240 2.930 10 0 GFAERN O=S(=O)(c1cc(F)cc(F)c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158490876 551552898 /nfs/dbraw/zinc/55/28/98/551552898.db2.gz OFPOPFKBRBGZFE-LRDDRELGSA-N 0 0 375.343 2.740 10 0 GFAERN NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](CNc2ccccn2)C1 ZINC000159136680 551561544 /nfs/dbraw/zinc/56/15/44/551561544.db2.gz BCMHORCHXLTLKJ-DYVFJYSZSA-N 0 0 389.297 2.805 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cc(OC)ccc1Br ZINC000159207671 551561735 /nfs/dbraw/zinc/56/17/35/551561735.db2.gz YXNRKPGJTYGREZ-AWEZNQCLSA-N 0 0 393.285 2.805 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H](C)c3ccc(Br)cc3)CCO2)c1 ZINC000162623806 551610367 /nfs/dbraw/zinc/61/03/67/551610367.db2.gz BAABTEBDUVZYDU-WMLDXEAASA-N 0 0 392.297 2.985 10 0 GFAERN O=C(Nc1ccc(Br)nc1)N1CCC(Nc2cccnn2)CC1 ZINC000166017113 551629955 /nfs/dbraw/zinc/62/99/55/551629955.db2.gz GORSFCYEMMMWDN-UHFFFAOYSA-N 0 0 377.246 2.743 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(Br)nc1)CC2 ZINC000165861051 551630297 /nfs/dbraw/zinc/63/02/97/551630297.db2.gz WPRKNYDESJWKQQ-NSHDSACASA-N 0 0 379.262 2.696 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)c1ccc(Cl)s1 ZINC000171225428 551650196 /nfs/dbraw/zinc/65/01/96/551650196.db2.gz NEZVHZMCHVAPAZ-JTQLQIEISA-N 0 0 375.841 2.798 10 0 GFAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171432880 551655727 /nfs/dbraw/zinc/65/57/27/551655727.db2.gz SWJAOFATNBJMRE-INIZCTEOSA-N 0 0 386.880 2.726 10 0 GFAERN CC(=O)N[C@H](CC(=O)N1CCS[C@@H](C)C1)c1ccc(Br)cc1 ZINC000171578700 551658455 /nfs/dbraw/zinc/65/84/55/551658455.db2.gz AQSVUNMGQILRRT-XHDPSFHLSA-N 0 0 385.327 2.980 10 0 GFAERN Cc1csc([C@@H]2CN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CCO2)n1 ZINC000171639036 551659721 /nfs/dbraw/zinc/65/97/21/551659721.db2.gz UKSXKTOTQSCRIW-AWEZNQCLSA-N 0 0 376.869 2.915 10 0 GFAERN O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000172849300 551688076 /nfs/dbraw/zinc/68/80/76/551688076.db2.gz HSTHBDDDMWBICL-GJZGRUSLSA-N 0 0 378.485 2.583 10 0 GFAERN CC[NH+](CC)[C@@H](C)C[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000173025539 551692601 /nfs/dbraw/zinc/69/26/01/551692601.db2.gz NONUGWDVQBRMJQ-VIFPVBQESA-N 0 0 397.875 2.585 10 0 GFAERN Cc1c(Br)cccc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000173090799 551695460 /nfs/dbraw/zinc/69/54/60/551695460.db2.gz QJIFGWZHXANOKT-UHFFFAOYSA-N 0 0 375.270 2.900 10 0 GFAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccccc2S(C)(=O)=O)o1 ZINC000173300904 552082032 /nfs/dbraw/zinc/08/20/32/552082032.db2.gz RAKHRXAZUAZLKS-CQSZACIVSA-N 0 0 383.491 2.907 10 0 GFAERN C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)C[C@@H]1N1CCOCC1 ZINC000173395852 552085164 /nfs/dbraw/zinc/08/51/64/552085164.db2.gz RCZMTWQMHASMFI-DOMZBBRYSA-N 0 0 392.297 2.723 10 0 GFAERN CC(C)n1cc(Br)cc1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000173634727 552089917 /nfs/dbraw/zinc/08/99/17/552089917.db2.gz OEIAEJCNSRCKJJ-ZDUSSCGKSA-N 0 0 380.290 2.975 10 0 GFAERN Cc1cc(N2CCC[C@@H](NCc3cc(Br)ccc3F)C2=O)n(C)n1 ZINC000173849308 552094391 /nfs/dbraw/zinc/09/43/91/552094391.db2.gz GBAXCDZIFASFHL-OAHLLOKOSA-N 0 0 395.276 2.915 10 0 GFAERN CC(C)n1nnnc1CN1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000173855112 552094913 /nfs/dbraw/zinc/09/49/13/552094913.db2.gz LNKNLZKFBSRKHY-CQSZACIVSA-N 0 0 393.333 2.895 10 0 GFAERN C[C@@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N(C)CC(=O)NC1CC1 ZINC000173976455 552096196 /nfs/dbraw/zinc/09/61/96/552096196.db2.gz SKTVOZMMZLGZFL-VHSXEESVSA-N 0 0 390.286 2.909 10 0 GFAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CCCC[C@H]3c3nccs3)cc12 ZINC000175378207 552120742 /nfs/dbraw/zinc/12/07/42/552120742.db2.gz CEFMVDTYPLCMCT-AWEZNQCLSA-N 0 0 377.495 2.649 10 0 GFAERN COc1ccc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)cc1Br ZINC000175744141 552127923 /nfs/dbraw/zinc/12/79/23/552127923.db2.gz CYPSPXPLHWMGSX-ZDUSSCGKSA-N 0 0 394.273 2.692 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(Br)cc1C ZINC000175774737 552129032 /nfs/dbraw/zinc/12/90/32/552129032.db2.gz FNMJNXRHHMEJHR-CQSZACIVSA-N 0 0 378.274 2.992 10 0 GFAERN Cc1cnn(CCNC(=O)NC[C@H](C)Oc2ccccc2Br)c1 ZINC000175775659 552129156 /nfs/dbraw/zinc/12/91/56/552129156.db2.gz MWQONAQSBGPNGG-ZDUSSCGKSA-N 0 0 381.274 2.721 10 0 GFAERN O=C(Nc1ccc(I)cc1)N[C@@H]1CCCn2ncnc21 ZINC000175864286 552130060 /nfs/dbraw/zinc/13/00/60/552130060.db2.gz YXCICHJCXGMOCQ-LLVKDONJSA-N 0 0 383.193 2.539 10 0 GFAERN O=C(Nc1cccc(I)c1)N[C@@H]1CCCn2ncnc21 ZINC000175869547 552131066 /nfs/dbraw/zinc/13/10/66/552131066.db2.gz XBRQMDPCZBXKJG-LLVKDONJSA-N 0 0 383.193 2.539 10 0 GFAERN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@H]1CN(C)CCO1 ZINC000175950994 552132929 /nfs/dbraw/zinc/13/29/29/552132929.db2.gz WAPIRWALFBIPLR-OCCSQVGLSA-N 0 0 379.913 2.816 10 0 GFAERN COc1cc(C(=O)N[C@H]2CCCn3nc(C)nc32)cc(OC)c1Br ZINC000177708180 552157125 /nfs/dbraw/zinc/15/71/25/552157125.db2.gz KCKVBPJFJNKKFR-NSHDSACASA-N 0 0 395.257 2.631 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C)c(I)c1 ZINC000177694906 552157245 /nfs/dbraw/zinc/15/72/45/552157245.db2.gz DBGJTOFXVZWSLT-ZDUSSCGKSA-N 0 0 396.232 2.764 10 0 GFAERN Cc1ccc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1Br ZINC000177730931 552158320 /nfs/dbraw/zinc/15/83/20/552158320.db2.gz LEIUWKFFRAVEOJ-XJKSGUPXSA-N 0 0 382.302 2.942 10 0 GFAERN O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]1Cn1ccnc1 ZINC000177773715 552158847 /nfs/dbraw/zinc/15/88/47/552158847.db2.gz ORZPQGOXETVQLI-CYBMUJFWSA-N 0 0 392.253 2.722 10 0 GFAERN C[C@@H](NC(=O)NCCc1ccc(Cl)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000177867128 552160450 /nfs/dbraw/zinc/16/04/50/552160450.db2.gz DTNYIAWKFUWTDT-GFCCVEGCSA-N 0 0 381.885 2.741 10 0 GFAERN O=C(Nc1cncc(Br)c1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000179471866 552194618 /nfs/dbraw/zinc/19/46/18/552194618.db2.gz LLIRPMOAVVBVCY-UHFFFAOYSA-N 0 0 378.270 2.724 10 0 GFAERN CCn1c(C)nnc1CSCc1nnnn1-c1ccccc1Br ZINC000179829111 552203829 /nfs/dbraw/zinc/20/38/29/552203829.db2.gz FXFWSUWPRKMKET-UHFFFAOYSA-N 0 0 394.302 2.778 10 0 GFAERN COc1ccc([C@H](C)OC(=O)CCCS(C)(=O)=O)c(Br)c1 ZINC000179984980 552208667 /nfs/dbraw/zinc/20/86/67/552208667.db2.gz CWUFHDUMEGBOEN-JTQLQIEISA-N 0 0 379.272 2.887 10 0 GFAERN COc1sc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1Br ZINC000180227204 552218718 /nfs/dbraw/zinc/21/87/18/552218718.db2.gz IIPDNCWFGHYWHU-FZMZJTMJSA-N 0 0 375.332 2.672 10 0 GFAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000180542564 552229573 /nfs/dbraw/zinc/22/95/73/552229573.db2.gz DOHYPAFLPIHIGM-MRXNPFEDSA-N 0 0 376.865 2.818 10 0 GFAERN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000180957202 552241450 /nfs/dbraw/zinc/24/14/50/552241450.db2.gz RIAVMOYBBYHKHY-GIHMMQTOSA-N 0 0 377.243 2.585 10 0 GFAERN O=C1[C@@H](N2CC[C@H](N3CCOCC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000181121075 552247363 /nfs/dbraw/zinc/24/73/63/552247363.db2.gz QNFQSLDWBLEARA-YOEHRIQHSA-N 0 0 384.307 2.505 10 0 GFAERN COc1ccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)nc1Br ZINC000181390920 552255370 /nfs/dbraw/zinc/25/53/70/552255370.db2.gz SUFQLLOVFLMDLC-LBPRGKRZSA-N 0 0 378.226 2.541 10 0 GFAERN COC(=O)C[C@@H](NC(=O)NCC1(OC)CCC1)c1cccc(Br)c1 ZINC000181510556 552258986 /nfs/dbraw/zinc/25/89/86/552258986.db2.gz WEIZQLGYGHDGGB-CQSZACIVSA-N 0 0 399.285 2.922 10 0 GFAERN C[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)c1cccs1 ZINC000182353222 552281323 /nfs/dbraw/zinc/28/13/23/552281323.db2.gz DFVCOYDUJYKBFN-UKRRQHHQSA-N 0 0 385.555 2.845 10 0 GFAERN O=C(Nc1ccc(Cl)cc1OC(F)F)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000183556021 552312908 /nfs/dbraw/zinc/31/29/08/552312908.db2.gz QDHWPRGKFOHIHX-ONGXEEELSA-N 0 0 376.787 2.547 10 0 GFAERN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000183602265 552314435 /nfs/dbraw/zinc/31/44/35/552314435.db2.gz KJDDLMGHDJYFKW-PVUWLOKVSA-N 0 0 387.307 2.860 10 0 GFAERN Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000183746163 552318677 /nfs/dbraw/zinc/31/86/77/552318677.db2.gz GNCXSUFRURVYOP-CYBMUJFWSA-N 0 0 392.264 2.588 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)/C=C/c1cccc(Cl)c1)CC2 ZINC000184243974 552330550 /nfs/dbraw/zinc/33/05/50/552330550.db2.gz WUWJVBXEGXXHEP-HVHJFMEUSA-N 0 0 380.901 2.960 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2cccnc2Br)C12CCOCC2 ZINC000184537319 552338298 /nfs/dbraw/zinc/33/82/98/552338298.db2.gz JJRWTGJNSNUVFE-CHWSQXEVSA-N 0 0 384.274 2.940 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000184711310 552342969 /nfs/dbraw/zinc/34/29/69/552342969.db2.gz ZTYCRZPSWJZEQK-CZUORRHYSA-N 0 0 384.318 2.608 10 0 GFAERN CN(C)C(=O)NCCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000185567839 552366182 /nfs/dbraw/zinc/36/61/82/552366182.db2.gz PNWDBOTTYKMZCB-HIFRSBDPSA-N 0 0 388.295 2.849 10 0 GFAERN Cc1cc(Br)c2c(c1)CN(C(=O)NC[C@H](C)N1CCOCC1)CC2 ZINC000186165781 552380728 /nfs/dbraw/zinc/38/07/28/552380728.db2.gz YBMAKMFSGWULPX-AWEZNQCLSA-N 0 0 396.329 2.546 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2O)C12CCOCC2 ZINC000186462481 552388105 /nfs/dbraw/zinc/38/81/05/552388105.db2.gz ILKQLOSLTGIWKR-CABCVRRESA-N 0 0 384.270 2.859 10 0 GFAERN Cc1cc(CCC(=O)N2CCC([N@H+](C)CC(=O)[O-])CC2)ccc1Br ZINC000186626931 552392902 /nfs/dbraw/zinc/39/29/02/552392902.db2.gz FTYMMVLHXGAIGO-UHFFFAOYSA-N 0 0 397.313 2.698 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000186653609 552393539 /nfs/dbraw/zinc/39/35/39/552393539.db2.gz SBBOKDHDHYJKGV-INIZCTEOSA-N 0 0 384.929 2.971 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000186669866 552394289 /nfs/dbraw/zinc/39/42/89/552394289.db2.gz DVRGMZZLPUXYNY-GFCCVEGCSA-N 0 0 387.249 2.599 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)c2cc(Br)ccc2O)C12CCOCC2 ZINC000187150955 552407939 /nfs/dbraw/zinc/40/79/39/552407939.db2.gz YVGDICAPGSNANK-GJZGRUSLSA-N 0 0 384.270 2.859 10 0 GFAERN Cc1cc(Br)cc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000187517227 552417602 /nfs/dbraw/zinc/41/76/02/552417602.db2.gz IBSLSSDNFDODNN-BBRMVZONSA-N 0 0 382.302 2.942 10 0 GFAERN COc1cc(Br)ccc1CNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000187601341 552420436 /nfs/dbraw/zinc/42/04/36/552420436.db2.gz ASYQHUCLKIDUDS-ZDUSSCGKSA-N 0 0 394.273 2.692 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(C)c(I)c1 ZINC000187662256 552421236 /nfs/dbraw/zinc/42/12/36/552421236.db2.gz RZOGLXAJQXSQSW-OAHLLOKOSA-N 0 0 387.217 2.767 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)NCc3ccccc3Br)CCO2)cn1 ZINC000187886440 552426956 /nfs/dbraw/zinc/42/69/56/552426956.db2.gz SGWOISUKDWDMDJ-INIZCTEOSA-N 0 0 393.285 2.949 10 0 GFAERN COc1c(CNc2ncn(Cc3ccc(Br)cc3)n2)c(C)nn1C ZINC000187985849 552430001 /nfs/dbraw/zinc/43/00/01/552430001.db2.gz KYBCQTSKKIIYGY-UHFFFAOYSA-N 0 0 391.273 2.752 10 0 GFAERN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1Br ZINC000188107555 552435203 /nfs/dbraw/zinc/43/52/03/552435203.db2.gz WIDLXRMFBOMTFQ-WFASDCNBSA-N 0 0 383.286 2.672 10 0 GFAERN O=S(=O)(c1ccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1)C(F)F ZINC000188151740 552437064 /nfs/dbraw/zinc/43/70/64/552437064.db2.gz ITSLRIKSGBMXAO-HOCLYGCPSA-N 0 0 387.473 2.952 10 0 GFAERN O=C(Cc1ccc(F)cc1Br)N1CCC[C@H](Cn2cncn2)C1 ZINC000188169779 552437526 /nfs/dbraw/zinc/43/75/26/552437526.db2.gz UZHFIGPJLORTCW-LBPRGKRZSA-N 0 0 381.249 2.661 10 0 GFAERN CC(C)[C@@](C)(NC(=O)NC[C@@H]1CN(C)CCO1)c1ccc(Br)cc1 ZINC000188634224 552450806 /nfs/dbraw/zinc/45/08/06/552450806.db2.gz VHXIOEQBSOLIBO-SJLPKXTDSA-N 0 0 398.345 2.950 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cccc(Br)c1C ZINC000189394360 552470436 /nfs/dbraw/zinc/47/04/36/552470436.db2.gz UQUXTRKOOBNWGA-AWEZNQCLSA-N 0 0 393.285 2.689 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000189495789 552473376 /nfs/dbraw/zinc/47/33/76/552473376.db2.gz RYVNABAOAGLWMN-HNNXBMFYSA-N 0 0 390.285 2.952 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000189576122 552475433 /nfs/dbraw/zinc/47/54/33/552475433.db2.gz YBHWWEHIAPDPIL-ZDUSSCGKSA-N 0 0 376.881 2.690 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)CC2 ZINC000189615996 552475733 /nfs/dbraw/zinc/47/57/33/552475733.db2.gz DAPDSHFGKCBRDX-SECBINFHSA-N 0 0 376.873 2.690 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)c(Br)n1 ZINC000190159967 552489235 /nfs/dbraw/zinc/48/92/35/552489235.db2.gz CRESPVWBFTXLAJ-ZDUSSCGKSA-N 0 0 392.257 2.568 10 0 GFAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 ZINC000190758464 552507886 /nfs/dbraw/zinc/50/78/86/552507886.db2.gz WOAXKHWAJKCYBS-SMDDNHRTSA-N 0 0 379.258 2.843 10 0 GFAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000190750478 552508117 /nfs/dbraw/zinc/50/81/17/552508117.db2.gz OVNOHJJNIZHGOW-CYBMUJFWSA-N 0 0 391.269 2.584 10 0 GFAERN Cc1csc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1Br ZINC000190925307 552514100 /nfs/dbraw/zinc/51/41/00/552514100.db2.gz XXOFNRBVCZWHLI-UHFFFAOYSA-N 0 0 397.342 2.901 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)COc3cccc(Br)c3)CCO2)cn1 ZINC000191699981 552535221 /nfs/dbraw/zinc/53/52/21/552535221.db2.gz JMZTWUPZPQSWPF-INIZCTEOSA-N 0 0 394.269 2.644 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)C3(c4ccccc4Br)CC3)CCO2)[nH]1 ZINC000191914034 552542316 /nfs/dbraw/zinc/54/23/16/552542316.db2.gz RKOJEBMHHUWESF-CQSZACIVSA-N 0 0 391.269 2.507 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000191947178 552543846 /nfs/dbraw/zinc/54/38/46/552543846.db2.gz UQLGDALIOYWXPU-IMTBSYHQSA-N 0 0 381.148 2.811 10 0 GFAERN Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(F)c1 ZINC000192008278 552545586 /nfs/dbraw/zinc/54/55/86/552545586.db2.gz ARIYCGHUXFCEGQ-CYBMUJFWSA-N 0 0 385.482 2.718 10 0 GFAERN CCn1cc([C@H]2CN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CCO2)cn1 ZINC000192028440 552546682 /nfs/dbraw/zinc/54/66/82/552546682.db2.gz MHUADLAQJDQNOO-MRXNPFEDSA-N 0 0 387.864 2.599 10 0 GFAERN O=C(Nc1cc2c(cc1Br)CCC2)N1CC[C@H](N2CCOCC2)C1 ZINC000192463791 552564646 /nfs/dbraw/zinc/56/46/46/552564646.db2.gz MYAOHQBNGZWKHG-HNNXBMFYSA-N 0 0 394.313 2.876 10 0 GFAERN C[C@H](NC(=O)c1sccc1-n1cccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192478972 552564975 /nfs/dbraw/zinc/56/49/75/552564975.db2.gz XTQDZJFYMYPGMI-LBPRGKRZSA-N 0 0 375.475 2.677 10 0 GFAERN C[C@H](NC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccs1 ZINC000193596571 552998245 /nfs/dbraw/zinc/99/82/45/552998245.db2.gz UDPHWEPXCJSHHZ-ZDUSSCGKSA-N 0 0 379.507 2.866 10 0 GFAERN CCc1nnc(C[S@@](=O)Cc2csc(-c3cccc(OC)c3)n2)n1C ZINC000194145108 553012978 /nfs/dbraw/zinc/01/29/78/553012978.db2.gz FYIIWLVWMSUWSS-VWLOTQADSA-N 0 0 376.507 2.959 10 0 GFAERN CSC1(CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000194532694 553023007 /nfs/dbraw/zinc/02/30/07/553023007.db2.gz HRTSYYSNOAEMOL-MRXNPFEDSA-N 0 0 384.567 2.700 10 0 GFAERN CCN(CC)S(=O)(=O)c1cc(NCc2nnnn2C(C)C)ccc1Cl ZINC000194988020 553035133 /nfs/dbraw/zinc/03/51/33/553035133.db2.gz GNSLWHDVCOFBCQ-UHFFFAOYSA-N 0 0 386.909 2.550 10 0 GFAERN O=C(Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195320738 553044747 /nfs/dbraw/zinc/04/47/47/553044747.db2.gz UJJTYNWKEZCUSC-AWEZNQCLSA-N 0 0 377.901 2.568 10 0 GFAERN CC[C@H](Cc1ccccc1Br)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246078337 553102353 /nfs/dbraw/zinc/10/23/53/553102353.db2.gz GAQFNHMQGZYWBO-OWCLPIDISA-N 0 0 397.357 2.931 10 0 GFAERN COCCN1CCN([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C[C@@H]1C ZINC000247816591 553125674 /nfs/dbraw/zinc/12/56/74/553125674.db2.gz WJPGPMYMTWYMAN-LSDHHAIUSA-N 0 0 398.345 2.737 10 0 GFAERN COC(=O)[C@@H]1CCCCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000248658886 553132582 /nfs/dbraw/zinc/13/25/82/553132582.db2.gz CAKZQUAFYBTTPR-DOMZBBRYSA-N 0 0 383.286 2.654 10 0 GFAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000248864499 553136027 /nfs/dbraw/zinc/13/60/27/553136027.db2.gz HGLGNUIKFCLBFC-OLZOCXBDSA-N 0 0 386.901 2.594 10 0 GFAERN C[C@@H](C(=O)N1C[C@@H](C)OC[C@@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000249043434 553138545 /nfs/dbraw/zinc/13/85/45/553138545.db2.gz FFGMOMMSQGTQBJ-AEJSXWLSSA-N 0 0 385.247 2.614 10 0 GFAERN CCOC(=O)[C@H](C)N(C[C@@H](O)COc1cccc(Br)c1)C1CC1 ZINC000249490665 553143841 /nfs/dbraw/zinc/14/38/41/553143841.db2.gz VFXZEWHYSFJGNC-SWLSCSKDSA-N 0 0 386.286 2.605 10 0 GFAERN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000252352932 553149248 /nfs/dbraw/zinc/14/92/48/553149248.db2.gz OHBXYPBITHSZBL-TZMCWYRMSA-N 0 0 383.279 2.918 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000262688064 553174224 /nfs/dbraw/zinc/17/42/24/553174224.db2.gz DDXHOXQAYHWVPL-UHFFFAOYSA-N 0 0 397.313 2.780 10 0 GFAERN Cc1cc(Br)ccc1C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262719570 553174443 /nfs/dbraw/zinc/17/44/43/553174443.db2.gz OYHFNPPDMQUAFV-UHFFFAOYSA-N 0 0 395.297 2.815 10 0 GFAERN CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000263418159 553187492 /nfs/dbraw/zinc/18/74/92/553187492.db2.gz NZETZCIWFJRCHK-NSHDSACASA-N 0 0 388.258 2.604 10 0 GFAERN O=c1ccnc2sc(NCC3(c4ccc(Cl)cc4)CCOCC3)nn21 ZINC000301093160 563392304 /nfs/dbraw/zinc/39/23/04/563392304.db2.gz MGWRRWDJBMLAHF-UHFFFAOYSA-N 0 0 376.869 2.965 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NCCc2ccc(F)c(Br)c2)ncn1 ZINC000301230509 563397069 /nfs/dbraw/zinc/39/70/69/563397069.db2.gz HGYLKPFNSWVFSB-ZDUSSCGKSA-N 0 0 395.276 2.994 10 0 GFAERN O=C(c1cnc(N[C@H](CCO)c2cccs2)c(Cl)c1)N1CCOCC1 ZINC000301378624 563402378 /nfs/dbraw/zinc/40/23/78/563402378.db2.gz XIKCDUKBNOUWFL-CQSZACIVSA-N 0 0 381.885 2.805 10 0 GFAERN CCCc1nnc(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)s1 ZINC000301866347 563414236 /nfs/dbraw/zinc/41/42/36/563414236.db2.gz VJSKKVKMLXDBNN-UHFFFAOYSA-N 0 0 379.917 2.905 10 0 GFAERN Cn1nc(Br)c2c1ncnc2N[C@@H](CO)c1ccc(Cl)cc1 ZINC000301953703 563416551 /nfs/dbraw/zinc/41/65/51/563416551.db2.gz IHYIEWXBVTWEOS-JTQLQIEISA-N 0 0 382.649 2.925 10 0 GFAERN Cc1nnc([C@H]2CN(c3nnc(Cc4ccc(Cl)cc4)s3)CCO2)[nH]1 ZINC000302386052 563424232 /nfs/dbraw/zinc/42/42/32/563424232.db2.gz CPGWWWLXIYEVID-CYBMUJFWSA-N 0 0 376.873 2.787 10 0 GFAERN CC(C)(C)c1csc([C@@H]2CN(c3ncccc3S(C)(=O)=O)CCO2)n1 ZINC000302701529 563428148 /nfs/dbraw/zinc/42/81/48/563428148.db2.gz BFINIKMDKAJBMQ-LBPRGKRZSA-N 0 0 381.523 2.817 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cccc(F)c1I ZINC000611154256 566118651 /nfs/dbraw/zinc/11/86/51/566118651.db2.gz DGOQZPKEOGDANT-CABZTGNLSA-N 0 0 377.197 2.711 10 0 GFAERN CN1OC[C@@H](S(=O)(=O)N2CCc3ccccc3C2)[C@H]1c1cc(F)ccc1F ZINC000034739396 570330801 /nfs/dbraw/zinc/33/08/01/570330801.db2.gz HZZBPBQJFCHZKZ-RTBURBONSA-N 0 0 394.443 2.640 10 0 GFAERN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(C)=O)CC1 ZINC000036209997 570571011 /nfs/dbraw/zinc/57/10/11/570571011.db2.gz QSRIKDFIBICCAM-UGSOOPFHSA-N 0 0 393.915 2.612 10 0 GFAERN CCC(=O)N1CCC([C@H](NC(=O)c2cccc(C)c2)C(=O)N[C@H](C)CC)CC1 ZINC000036211971 570572732 /nfs/dbraw/zinc/57/27/32/570572732.db2.gz HSNDJBUHNNUBGM-UZLBHIALSA-N 0 0 387.524 2.657 10 0 GFAERN COc1cccc([C@H](c2c([O-])[nH]c(=S)[nH]c2=O)[NH+]2CCC(C)CC2)c1OC ZINC000085958794 570699172 /nfs/dbraw/zinc/69/91/72/570699172.db2.gz UDQMDXVEYORRJM-OAHLLOKOSA-N 0 0 391.493 2.977 10 0 GFAERN COc1cc([C@@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC ZINC000005665654 570726327 /nfs/dbraw/zinc/72/63/27/570726327.db2.gz ZGLXUQQMLLIKAN-SMHULIPUSA-N 0 0 398.411 2.918 10 0 GFAERN C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1Br ZINC000015686741 654512153 /nfs/dbraw/zinc/51/21/53/654512153.db2.gz FHEGNKDLPFZEDB-JTQLQIEISA-N 0 0 383.267 2.588 10 0 GFAERN CC(C)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000024356121 654543526 /nfs/dbraw/zinc/54/35/26/654543526.db2.gz ROTXGHLVQAOYJK-TZMCWYRMSA-N 0 0 388.917 2.572 10 0 GFAERN CC(C)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000024356113 654543536 /nfs/dbraw/zinc/54/35/36/654543536.db2.gz ROTXGHLVQAOYJK-OCCSQVGLSA-N 0 0 388.917 2.572 10 0 GFAERN CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000024356125 654543563 /nfs/dbraw/zinc/54/35/63/654543563.db2.gz ROTXGHLVQAOYJK-GXTWGEPZSA-N 0 0 388.917 2.572 10 0 GFAERN O=C(NCc1cccc(Br)c1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000045363410 654667676 /nfs/dbraw/zinc/66/76/76/654667676.db2.gz BQZNDZHPLUNPKA-MRXNPFEDSA-N 0 0 386.253 2.536 10 0 GFAERN O=C(Cc1ccc(-n2cnnn2)cc1)Oc1ccc(F)cc1Br ZINC000047441059 654694995 /nfs/dbraw/zinc/69/49/95/654694995.db2.gz PUMSFJOPDBJMRI-UHFFFAOYSA-N 0 0 377.173 2.712 10 0 GFAERN COc1cc(Br)c(CN2CCO[C@@H](Cn3cccn3)C2)c(OC)c1 ZINC000122188155 654731025 /nfs/dbraw/zinc/73/10/25/654731025.db2.gz HGVXGZDZIWKJKP-CQSZACIVSA-N 0 0 396.285 2.564 10 0 GFAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@@H]1C ZINC000124981733 654785340 /nfs/dbraw/zinc/78/53/40/654785340.db2.gz JQRCLJAPIXKBIG-WPRPVWTQSA-N 0 0 396.690 2.532 10 0 GFAERN CCOC(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000125530233 654796892 /nfs/dbraw/zinc/79/68/92/654796892.db2.gz OLJKLICYVRRXQP-LBPRGKRZSA-N 0 0 384.274 2.994 10 0 GFAERN O=C(NC1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1ccsc1 ZINC000057028783 654798493 /nfs/dbraw/zinc/79/84/93/654798493.db2.gz IOOZYCKEBNPCEQ-LCYFTJDESA-N 0 0 376.503 2.943 10 0 GFAERN Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H](C)c2ccccc2C)s1 ZINC000125597989 654799073 /nfs/dbraw/zinc/79/90/73/654799073.db2.gz PHXWESXXNSYNQL-CQSZACIVSA-N 0 0 381.523 2.704 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C)ccc1Br ZINC000129067078 654855508 /nfs/dbraw/zinc/85/55/08/654855508.db2.gz SHIJZBYWXKLSCQ-ZDUSSCGKSA-N 0 0 379.258 2.760 10 0 GFAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)c1nc2ncc(Br)cn2n1 ZINC000065754256 654886433 /nfs/dbraw/zinc/88/64/33/654886433.db2.gz QMMTVHWLDQDTGU-LBPRGKRZSA-N 0 0 392.644 2.958 10 0 GFAERN COC(=O)[C@@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000066833831 654916886 /nfs/dbraw/zinc/91/68/86/654916886.db2.gz NBZZSJNIIBXAJJ-SECBINFHSA-N 0 0 391.212 2.551 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000132904136 654948892 /nfs/dbraw/zinc/94/88/92/654948892.db2.gz ZSXZIGSGQDAOBZ-NHYWBVRUSA-N 0 0 387.705 2.895 10 0 GFAERN Cc1ccc([C@H](CNC(=O)CSCc2cscn2)N2CCOCC2)s1 ZINC000133291277 654959480 /nfs/dbraw/zinc/95/94/80/654959480.db2.gz HINQDXKTKBSQFU-HNNXBMFYSA-N 0 0 397.591 2.936 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1F ZINC000070707083 654993815 /nfs/dbraw/zinc/99/38/15/654993815.db2.gz XWLRLOVAUSZORJ-CYBMUJFWSA-N 0 0 393.278 2.731 10 0 GFAERN COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)cn1 ZINC000070730419 654994424 /nfs/dbraw/zinc/99/44/24/654994424.db2.gz AJPSPYMTVDBPEI-SNVBAGLBSA-N 0 0 378.226 2.669 10 0 GFAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[C@H]1O ZINC000091315582 655008536 /nfs/dbraw/zinc/00/85/36/655008536.db2.gz PXHVUNOQZIPYCE-LDYMZIIASA-N 0 0 398.706 2.550 10 0 GFAERN O=C(Cc1ccccc1Br)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135266874 655013039 /nfs/dbraw/zinc/01/30/39/655013039.db2.gz SCUWRGDYNAFJEC-CQSZACIVSA-N 0 0 375.270 2.567 10 0 GFAERN COc1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)sc1Br ZINC000135364917 655014661 /nfs/dbraw/zinc/01/46/61/655014661.db2.gz WLZIBMVBOLRQSV-JTQLQIEISA-N 0 0 385.287 2.663 10 0 GFAERN Cc1csc([C@H]2CN(CC(=O)Nc3nnc(C(C)(C)C)s3)CCO2)n1 ZINC000136938005 655036829 /nfs/dbraw/zinc/03/68/29/655036829.db2.gz RMPVQOJUTGDPBN-LLVKDONJSA-N 0 0 381.527 2.613 10 0 GFAERN O=S(=O)(/C=C\c1ccccc1)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000098064856 655039251 /nfs/dbraw/zinc/03/92/51/655039251.db2.gz ZGHMRAQFDJKTGD-QXMHVHEDSA-N 0 0 378.475 2.540 10 0 GFAERN C[C@H](OC(=O)CCNC(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000151519704 655052187 /nfs/dbraw/zinc/05/21/87/655052187.db2.gz KRZYQKGMNIHLBO-LBPRGKRZSA-N 0 0 384.270 2.927 10 0 GFAERN CC[C@H](c1nn(CN2CCS(=O)(=O)[C@H](C)C2)c(=S)o1)c1ccccc1 ZINC000151569848 655052617 /nfs/dbraw/zinc/05/26/17/655052617.db2.gz GGBPECPQSDRNJV-HIFRSBDPSA-N 0 0 381.523 2.824 10 0 GFAERN CCOCCN1CCN(C(=O)c2ccc(C)nc2Br)C[C@H]1CC ZINC000152209696 655057251 /nfs/dbraw/zinc/05/72/51/655057251.db2.gz RYRWCMNFOUHVBC-CQSZACIVSA-N 0 0 384.318 2.725 10 0 GFAERN Cc1nc2nc(=S)n(CN3CCO[C@@H](c4nccs4)C3)n2c(C)c1C ZINC000152233532 655057379 /nfs/dbraw/zinc/05/73/79/655057379.db2.gz LLHHVHRWEGWEDK-CYBMUJFWSA-N 0 0 376.511 2.673 10 0 GFAERN Cn1nccc1C1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000104681581 655084016 /nfs/dbraw/zinc/08/40/16/655084016.db2.gz IKPQYLGLSXBAQG-MRXNPFEDSA-N 0 0 377.286 2.589 10 0 GFAERN C[C@H](OC(=O)CCNS(=O)(=O)c1cccs1)c1nc2ccccc2[nH]1 ZINC000156918766 655096873 /nfs/dbraw/zinc/09/68/73/655096873.db2.gz BEQIORYYLMJCRH-NSHDSACASA-N 0 0 379.463 2.597 10 0 GFAERN COc1ccc(Br)cc1CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000106197476 655104735 /nfs/dbraw/zinc/10/47/35/655104735.db2.gz VPBVWCMVDXHRNV-MRXNPFEDSA-N 0 0 380.286 2.864 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000170641255 655144758 /nfs/dbraw/zinc/14/47/58/655144758.db2.gz DKFUQDBBKOQRFJ-GFCCVEGCSA-N 0 0 378.416 2.865 10 0 GFAERN Cc1ccc(I)c(C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000109678972 655150137 /nfs/dbraw/zinc/15/01/37/655150137.db2.gz UDGQWQNQGKUDQT-LBPRGKRZSA-N 0 0 396.232 2.668 10 0 GFAERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCO[C@@H](c2nccs2)C1 ZINC000110882198 655160956 /nfs/dbraw/zinc/16/09/56/655160956.db2.gz GANHGOHQJYBVHA-CQSZACIVSA-N 0 0 380.853 2.710 10 0 GFAERN Cc1ncc(CN2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)s1 ZINC000111165170 655165821 /nfs/dbraw/zinc/16/58/21/655165821.db2.gz GWCLMYBKHMUBKR-UHFFFAOYSA-N 0 0 378.571 2.681 10 0 GFAERN Cc1ccc([C@H]2CCCCN2C(=O)NCc2ccc(S(N)(=O)=O)s2)o1 ZINC000173436540 655172235 /nfs/dbraw/zinc/17/22/35/655172235.db2.gz SLLNCMMEJIYZCQ-CYBMUJFWSA-N 0 0 383.495 2.734 10 0 GFAERN Cc1nn(C)c(C)c1CN1CCN(Cn2nc(C3CC3)sc2=S)CC1 ZINC000173896904 655184171 /nfs/dbraw/zinc/18/41/71/655184171.db2.gz CAKYUXZURODOFF-UHFFFAOYSA-N 0 0 378.571 2.677 10 0 GFAERN FC(F)Oc1ccc(Br)cc1CN1CC[C@H](N2CCOCC2)C1 ZINC000173905856 655184697 /nfs/dbraw/zinc/18/46/97/655184697.db2.gz PETXRHHDTUZFLH-AWEZNQCLSA-N 0 0 391.256 2.957 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000173929461 655186265 /nfs/dbraw/zinc/18/62/65/655186265.db2.gz DYJHRQZPLOMQPH-LBPRGKRZSA-N 0 0 376.425 2.643 10 0 GFAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1c(Cl)cc(Cl)cc1Cl ZINC000113299197 655207266 /nfs/dbraw/zinc/20/72/66/655207266.db2.gz ADJVQMOTQPGLQC-MRVPVSSYSA-N 0 0 381.672 2.532 10 0 GFAERN CC(=O)N(c1nc(CN2CCO[C@H](c3nc(C)cs3)C2)cs1)C1CC1 ZINC000114717119 655227768 /nfs/dbraw/zinc/22/77/68/655227768.db2.gz CWEQQZVRYABSJK-HNNXBMFYSA-N 0 0 378.523 2.997 10 0 GFAERN COC(=O)N[C@@H](C(=O)NCC1(c2cccc(Br)c2)CC1)C(C)C ZINC000115101717 655232410 /nfs/dbraw/zinc/23/24/10/655232410.db2.gz LRFRQYPVIOVVBW-CQSZACIVSA-N 0 0 383.286 2.978 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1ccc(Br)c(C)c1)CC2 ZINC000176085279 655234649 /nfs/dbraw/zinc/23/46/49/655234649.db2.gz PLYVJAWNIWCWSR-CQSZACIVSA-N 0 0 391.313 2.975 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3c(F)cccc3Br)CCO2)n1 ZINC000176602107 655250991 /nfs/dbraw/zinc/25/09/91/655250991.db2.gz KIKUPGUCTSOZNQ-CYBMUJFWSA-N 0 0 396.260 2.943 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3Cl)C2)n1 ZINC000116899794 655256187 /nfs/dbraw/zinc/25/61/87/655256187.db2.gz TZMNLEXTXAWTFN-CYBMUJFWSA-N 0 0 386.880 2.788 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc(Br)cc3F)CCO2)[nH]1 ZINC000176950418 655263457 /nfs/dbraw/zinc/26/34/57/655263457.db2.gz DHMVUKAZSBVDEH-LBPRGKRZSA-N 0 0 384.209 2.620 10 0 GFAERN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000176968362 655264360 /nfs/dbraw/zinc/26/43/60/655264360.db2.gz NHILEVZLJXSCNJ-CYBMUJFWSA-N 0 0 378.416 2.536 10 0 GFAERN O=C(CSC[C@H](O)CO)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000177419522 655276125 /nfs/dbraw/zinc/27/61/25/655276125.db2.gz PXUXGRCIRKACHI-DGCLKSJQSA-N 0 0 382.532 2.574 10 0 GFAERN CCOc1c(Br)cc(C(=O)N[C@H]2CCCn3ncnc32)cc1OC ZINC000177534895 655280087 /nfs/dbraw/zinc/28/00/87/655280087.db2.gz NHDFRYSWTNBSRX-LBPRGKRZSA-N 0 0 395.257 2.713 10 0 GFAERN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177546836 655280699 /nfs/dbraw/zinc/28/06/99/655280699.db2.gz BVEJIQNDXSVIGW-SKDRFNHKSA-N 0 0 378.778 2.965 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000177587899 655282899 /nfs/dbraw/zinc/28/28/99/655282899.db2.gz VILKJBLWWMZAIO-JTQLQIEISA-N 0 0 378.288 2.800 10 0 GFAERN COc1ccc([C@H](C)OC(=O)[C@H]2CCCN(C(N)=O)C2)c(Br)c1 ZINC000181344755 655335667 /nfs/dbraw/zinc/33/56/67/655335667.db2.gz ONDYHMAWJMZTMQ-QWRGUYRKSA-N 0 0 385.258 2.853 10 0 GFAERN C[C@H](NCC(=O)NC(=O)NCc1ccco1)c1ccccc1Br ZINC000120522798 655337993 /nfs/dbraw/zinc/33/79/93/655337993.db2.gz OYHLKPPSZAMPDL-NSHDSACASA-N 0 0 380.242 2.719 10 0 GFAERN Cc1cnc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ncc(C)s2)s1 ZINC000120712375 655342848 /nfs/dbraw/zinc/34/28/48/655342848.db2.gz LBBXYFSTUFLQJC-STQMWFEESA-N 0 0 378.523 2.565 10 0 GFAERN CCn1ccnc1CSc1nnc(-c2ccc(Br)cc2)n1N ZINC000121740236 655350895 /nfs/dbraw/zinc/35/08/95/655350895.db2.gz SLSOYHDYGMALRC-UHFFFAOYSA-N 0 0 379.287 2.930 10 0 GFAERN C[C@H]1CC[C@H](C(=O)OCc2nc(Cc3ccccc3Br)n[nH]2)O1 ZINC000185382415 655364144 /nfs/dbraw/zinc/36/41/44/655364144.db2.gz LOQRPJLYIVPLIO-GXFFZTMASA-N 0 0 380.242 2.769 10 0 GFAERN COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2C)s1 ZINC000190635193 655393780 /nfs/dbraw/zinc/39/37/80/655393780.db2.gz RPIDOHAMCIOMDS-ZDUSSCGKSA-N 0 0 382.507 2.995 10 0 GFAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000193562352 655410940 /nfs/dbraw/zinc/41/09/40/655410940.db2.gz YBVNHCGOFRUDFG-HZPDHXFCSA-N 0 0 377.238 2.523 10 0 GFAERN COCCn1c(C(=O)NCc2ccccn2)cc2oc(Br)cc21 ZINC000223713418 655422484 /nfs/dbraw/zinc/42/24/84/655422484.db2.gz GYWCXQPCWZQQJW-UHFFFAOYSA-N 0 0 378.226 2.968 10 0 GFAERN CCC[C@@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)C(=O)[O-] ZINC000262725261 655446701 /nfs/dbraw/zinc/44/67/01/655446701.db2.gz YTDRDPQKISQMQI-LLVKDONJSA-N 0 0 393.221 2.651 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2cc(Br)c(OC)s2)C1 ZINC000263535175 655452483 /nfs/dbraw/zinc/45/24/83/655452483.db2.gz YUBDNIBFOBFFCZ-UHFFFAOYSA-N 0 0 377.304 2.546 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(F)(F)F ZINC000913022294 664317266 /nfs/dbraw/zinc/31/72/66/664317266.db2.gz LSQYSVSATKWBMF-JOYOIKCWSA-N 0 0 384.807 2.560 10 0 GFAERN Cn1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1I ZINC000379121544 677405600 /nfs/dbraw/zinc/40/56/00/677405600.db2.gz OLMXNSPYTYIOOP-UHFFFAOYSA-N 0 0 385.249 2.579 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1[nH]nc(C(C)C)c1Br)CC2 ZINC000133858626 677400750 /nfs/dbraw/zinc/40/07/50/677400750.db2.gz VPLAOVSFBFSENK-JTQLQIEISA-N 0 0 395.305 2.755 10 0 GFAERN CC(C)n1nc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O ZINC000003480721 204008600 /nfs/dbraw/zinc/00/86/00/204008600.db2.gz CNTDFVFIXKROCR-UHFFFAOYSA-N 0 0 376.460 2.940 10 0 GFAERN Cc1oc(-c2ccccc2F)nc1C[S@](=O)CC(=O)NCc1cccnc1 ZINC000004924695 204092660 /nfs/dbraw/zinc/09/26/60/204092660.db2.gz OOGGPLFCIHPWJS-HHHXNRCGSA-N 0 0 387.436 2.749 10 0 GFAERN CCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1 ZINC000005591341 204141609 /nfs/dbraw/zinc/14/16/09/204141609.db2.gz ZZWXBDNSQKOCDH-HNNXBMFYSA-N 0 0 389.839 2.815 10 0 GFAERN COc1cc([C@H]2NS(=O)(=O)N=C3CCCCCN32)ccc1OCC(C)C ZINC000006848388 204214654 /nfs/dbraw/zinc/21/46/54/204214654.db2.gz ZEAABKDFOUZAPL-SFHVURJKSA-N 0 0 381.498 2.851 10 0 GFAERN O=C(CSc1ccccn1)N1CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2C1 ZINC000011665110 204349822 /nfs/dbraw/zinc/34/98/22/204349822.db2.gz NTDPWQOSVVYYRU-SFHVURJKSA-N 0 0 397.500 2.876 10 0 GFAERN COC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)C1 ZINC000011839129 204355528 /nfs/dbraw/zinc/35/55/28/204355528.db2.gz RBXIBXPJZNNAIK-LPHOPBHVSA-N 0 0 396.491 2.627 10 0 GFAERN COCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000011956138 204364056 /nfs/dbraw/zinc/36/40/56/204364056.db2.gz XBPDXEQGBFGDFL-UHFFFAOYSA-N 0 0 391.859 2.990 10 0 GFAERN CO[C@@H](c1ccc2c(c1)CN(C(=O)Cn1cncn1)CCO2)C1CCCCC1 ZINC000012021122 204367773 /nfs/dbraw/zinc/36/77/73/204367773.db2.gz GGNBODSRYQZDHU-OAQYLSRUSA-N 0 0 384.480 2.967 10 0 GFAERN CC(C)N(CCO)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000012442474 204410087 /nfs/dbraw/zinc/41/00/87/204410087.db2.gz XIOGZPJTHQRORJ-UHFFFAOYSA-N 0 0 385.386 2.841 10 0 GFAERN COc1ccccc1[C@]1(CC(=O)N(C)C(C)C)CC(=O)N(C2CCCC2)C1=O ZINC000012184099 204379866 /nfs/dbraw/zinc/37/98/66/204379866.db2.gz BSXIPPGQJWYUPV-QFIPXVFZSA-N 0 0 386.492 2.891 10 0 GFAERN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N(C)Cc1nc(C)cs1)C2 ZINC000014533512 204534413 /nfs/dbraw/zinc/53/44/13/204534413.db2.gz NINARUBBBSFWRV-OAHLLOKOSA-N 0 0 387.553 2.893 10 0 GFAERN CCOC(=O)CN(CC)C(=O)COc1ccc(Cl)cc1Br ZINC000038015830 204781449 /nfs/dbraw/zinc/78/14/49/204781449.db2.gz IRDGLQGHROLSAY-UHFFFAOYSA-N 0 0 378.650 2.893 10 0 GFAERN COc1ccc([C@@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000036041805 205002979 /nfs/dbraw/zinc/00/29/79/205002979.db2.gz CGQWZTZTQYIOAI-OALUTQOASA-N 0 0 388.508 2.532 10 0 GFAERN COc1ccc([C@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)NC2CC2)c(OC)c1 ZINC000036060640 205003724 /nfs/dbraw/zinc/00/37/24/205003724.db2.gz MXRGMZSCILQDIU-IAGOWNOFSA-N 0 0 389.496 2.506 10 0 GFAERN O=C(NCCN1CCOCC1)c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000035430167 204988743 /nfs/dbraw/zinc/98/87/43/204988743.db2.gz SYDTXCCUGOLUFQ-UHFFFAOYSA-N 0 0 395.438 2.575 10 0 GFAERN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)C1 ZINC000036615451 205018901 /nfs/dbraw/zinc/01/89/01/205018901.db2.gz OQSCLHRPLFFMQL-XHDPSFHLSA-N 0 0 382.819 2.774 10 0 GFAERN COC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2C)CN1C(C)C ZINC000055108191 205143888 /nfs/dbraw/zinc/14/38/88/205143888.db2.gz MCKJHYWHAZVKIR-BBRMVZONSA-N 0 0 377.872 2.884 10 0 GFAERN CC(=O)N1CCCSc2ccc(S(=O)(=O)N(C)Cc3ccco3)cc21 ZINC000064952270 205202253 /nfs/dbraw/zinc/20/22/53/205202253.db2.gz LZZATWPIDXFJSZ-UHFFFAOYSA-N 0 0 380.491 2.949 10 0 GFAERN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(C)=O)cc1Cl ZINC000064976897 205203227 /nfs/dbraw/zinc/20/32/27/205203227.db2.gz NIDROQWMIZYBTO-UHFFFAOYSA-N 0 0 394.880 2.736 10 0 GFAERN O=C1[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2)CCN1c1ccc(F)cc1 ZINC000065229263 205221356 /nfs/dbraw/zinc/22/13/56/205221356.db2.gz VNSIGQVTAHUJQH-MRXNPFEDSA-N 0 0 382.844 2.704 10 0 GFAERN Cc1ccc(OC2CCN(C(=O)c3ccc(-c4nnn(C)n4)cc3)CC2)cc1 ZINC000077516324 205364094 /nfs/dbraw/zinc/36/40/94/205364094.db2.gz GECWTOPGIXNNBQ-UHFFFAOYSA-N 0 0 377.448 2.869 10 0 GFAERN CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C1CCN(CC(N)=O)CC1 ZINC000077407554 205362098 /nfs/dbraw/zinc/36/20/98/205362098.db2.gz GSQMRAOWDRWPIF-UHFFFAOYSA-N 0 0 381.476 2.635 10 0 GFAERN O=C(c1noc2c1CCCC2)N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000095365741 205445286 /nfs/dbraw/zinc/44/52/86/205445286.db2.gz WHHFZMYHQMIABS-DLBZAZTESA-N 0 0 379.460 2.817 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 ZINC000095087306 205437574 /nfs/dbraw/zinc/43/75/74/205437574.db2.gz LYBUITUGHCQHOV-HNNXBMFYSA-N 0 0 376.453 2.977 10 0 GFAERN Cc1cc2nn(-c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc2cc1N ZINC000226305694 205689501 /nfs/dbraw/zinc/68/95/01/205689501.db2.gz GYWCROAJLNRIJW-AWEZNQCLSA-N 0 0 385.493 2.874 10 0 GFAERN CN(C)c1ccnc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 ZINC000224195524 206015976 /nfs/dbraw/zinc/01/59/76/206015976.db2.gz WPYSUJUPCQRLCE-UHFFFAOYSA-N 0 0 384.461 2.813 10 0 GFAERN O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1cccc(C(F)(F)F)c1 ZINC000224204298 206017025 /nfs/dbraw/zinc/01/70/25/206017025.db2.gz PQKCIRNSLUPBRT-UHFFFAOYSA-N 0 0 386.399 2.574 10 0 GFAERN Cc1c(Br)c(C(=O)N2CCN(Cc3ccccc3C)CC2)nn1C ZINC000028236244 206039778 /nfs/dbraw/zinc/03/97/78/206039778.db2.gz PDUGQJKBWLFHPR-UHFFFAOYSA-N 0 0 391.313 2.757 10 0 GFAERN O=C(CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCc1cccnc1 ZINC000065245173 136161401 /nfs/dbraw/zinc/16/14/01/136161401.db2.gz QHYLLJHBOSHNFB-MRXNPFEDSA-N 0 0 380.496 2.759 10 0 GFAERN Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000224177268 136206486 /nfs/dbraw/zinc/20/64/86/136206486.db2.gz XQSGRZZIXXJGQT-UHFFFAOYSA-N 0 0 380.370 2.570 10 0 GFAERN CC[C@H](C)NC(=O)N1CCN(c2cc(-c3cc(F)ccc3OC)ncn2)CC1 ZINC000065008103 536158725 /nfs/dbraw/zinc/15/87/25/536158725.db2.gz QPMHZLBOPBOSEJ-AWEZNQCLSA-N 0 0 387.459 2.921 10 0 GFAERN COc1cccc2c1OC[C@@H](CNC(=O)c1ccccc1N1CCOCC1)C2 ZINC000095521536 536963266 /nfs/dbraw/zinc/96/32/66/536963266.db2.gz KJQDHMRBKFDSEF-MRXNPFEDSA-N 0 0 382.460 2.513 10 0 GFAERN O=S(=O)(c1ccc(F)cc1Br)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000040446285 551134815 /nfs/dbraw/zinc/13/48/15/551134815.db2.gz QCJMDHHCFCATNZ-QWHCGFSZSA-N 0 0 378.263 2.920 10 0 GFAERN CC(C)n1nnnc1CSc1nnc(COc2ccc(Cl)cc2)n1C ZINC000107078112 551201351 /nfs/dbraw/zinc/20/13/51/551201351.db2.gz CQVRCEPAPTXCNB-UHFFFAOYSA-N 0 0 379.877 2.907 10 0 GFAERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c2cc(Br)ccc2n1 ZINC000112650822 551206864 /nfs/dbraw/zinc/20/68/64/551206864.db2.gz MOJGLEYKOAIADI-GFCCVEGCSA-N 0 0 386.253 2.642 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1Br ZINC000113580117 551208336 /nfs/dbraw/zinc/20/83/36/551208336.db2.gz JDGUTZFZPKMUQH-MNOVXSKESA-N 0 0 377.304 2.633 10 0 GFAERN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116352115 551212735 /nfs/dbraw/zinc/21/27/35/551212735.db2.gz ZJNTXJSUVIZUMW-ZDUSSCGKSA-N 0 0 389.882 2.862 10 0 GFAERN COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000116370510 551213438 /nfs/dbraw/zinc/21/34/38/551213438.db2.gz DWORLPBNVCFWQO-SNVBAGLBSA-N 0 0 390.292 2.914 10 0 GFAERN C[C@@H](NC(=O)Nc1nc(CS(C)(=O)=O)no1)c1ccc(Cl)c(Cl)c1 ZINC000120393050 551220684 /nfs/dbraw/zinc/22/06/84/551220684.db2.gz FVCNQGQCGVTNHW-SSDOTTSWSA-N 0 0 393.252 2.804 10 0 GFAERN Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CCC[C@H]2CO)c1 ZINC000120930200 551223209 /nfs/dbraw/zinc/22/32/09/551223209.db2.gz GTLDVSDMNCLQHD-NSHDSACASA-N 0 0 376.400 2.571 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)CSc2cccc(Br)c2)n1 ZINC000121054978 551226273 /nfs/dbraw/zinc/22/62/73/551226273.db2.gz GVYARFFKNSPPLN-ZDUSSCGKSA-N 0 0 398.282 2.833 10 0 GFAERN O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N1CCC[C@@H]1CO ZINC000121187939 551229195 /nfs/dbraw/zinc/22/91/95/551229195.db2.gz ZDPRFLSMXXBMGV-SECBINFHSA-N 0 0 378.828 2.619 10 0 GFAERN C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000121504096 551236018 /nfs/dbraw/zinc/23/60/18/551236018.db2.gz SXLRRJQJKGYFEY-GFCCVEGCSA-N 0 0 378.881 2.896 10 0 GFAERN C[C@@H](CNC(=O)CCCc1ccc(Br)s1)N1CCOCC1 ZINC000121711519 551240324 /nfs/dbraw/zinc/24/03/24/551240324.db2.gz HOLKEKGBMPIDGV-LBPRGKRZSA-N 0 0 375.332 2.670 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1nnc2n1CCCC2 ZINC000121749623 551241671 /nfs/dbraw/zinc/24/16/71/551241671.db2.gz UGTVCSSMPNDNAW-SECBINFHSA-N 0 0 375.281 2.961 10 0 GFAERN COc1sc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)cc1Br ZINC000122383670 551297363 /nfs/dbraw/zinc/29/73/63/551297363.db2.gz NWEGJFCZUIRKMA-GFCCVEGCSA-N 0 0 386.315 2.925 10 0 GFAERN COC(=O)c1c(F)cccc1S(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000124372190 551314027 /nfs/dbraw/zinc/31/40/27/551314027.db2.gz ZXHFQLNBHYZVDH-GFCCVEGCSA-N 0 0 384.454 2.985 10 0 GFAERN CSc1nsc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)n1 ZINC000127132253 551337378 /nfs/dbraw/zinc/33/73/78/551337378.db2.gz YOBXJFRTNXBZAE-NSHDSACASA-N 0 0 386.449 2.931 10 0 GFAERN CC(C)N(CCS(C)(=O)=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000128286306 551348540 /nfs/dbraw/zinc/34/85/40/551348540.db2.gz QXLLNUUBPNTKQK-LBPRGKRZSA-N 0 0 391.331 2.975 10 0 GFAERN CCCCCc1nnc(NC(=O)CN2CCO[C@H](c3nccs3)C2)s1 ZINC000137001515 551390286 /nfs/dbraw/zinc/39/02/86/551390286.db2.gz UJPMGPPADQXTPY-LBPRGKRZSA-N 0 0 381.527 2.739 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1CCCO1 ZINC000151239376 551409523 /nfs/dbraw/zinc/40/95/23/551409523.db2.gz XVMFAXKFUITFEZ-PRHODGIISA-N 0 0 375.650 2.725 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C)nc1Br ZINC000151333758 551412081 /nfs/dbraw/zinc/41/20/81/551412081.db2.gz UUMKMYQMJSXGBA-LLVKDONJSA-N 0 0 379.262 2.963 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@H]1CCCO1 ZINC000151814736 551421329 /nfs/dbraw/zinc/42/13/29/551421329.db2.gz BLYXWLIFZFPWIC-QPUJVOFHSA-N 0 0 375.650 2.725 10 0 GFAERN C[C@H]1CC[C@@H](C(=O)Nc2cc(-c3ccc(Br)cc3)nn2CCO)O1 ZINC000151837673 551421896 /nfs/dbraw/zinc/42/18/96/551421896.db2.gz BZBWPUZMVOQIPD-NHYWBVRUSA-N 0 0 394.269 2.811 10 0 GFAERN CC(C)n1nnnc1CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153285775 551449508 /nfs/dbraw/zinc/44/95/08/551449508.db2.gz KBRUWUJNKSBCAE-UHFFFAOYSA-N 0 0 383.327 2.921 10 0 GFAERN C[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1Br ZINC000153984247 551464613 /nfs/dbraw/zinc/46/46/13/551464613.db2.gz DKOACRLAUVSKHI-ZWNOBZJWSA-N 0 0 391.331 2.590 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1cc(F)ccc1Br)CC2 ZINC000154719956 551481265 /nfs/dbraw/zinc/48/12/65/551481265.db2.gz SAQHDLYSFWPEMH-CYBMUJFWSA-N 0 0 395.276 2.977 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2I)C[C@@H](C)O1 ZINC000155126681 551492044 /nfs/dbraw/zinc/49/20/44/551492044.db2.gz DCLIRIXTISJPAF-HTQZYQBOSA-N 0 0 381.160 2.819 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000155221605 551495085 /nfs/dbraw/zinc/49/50/85/551495085.db2.gz XLMXUGHYZSASLK-CYBMUJFWSA-N 0 0 385.251 2.761 10 0 GFAERN Cc1ccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c(Br)n1 ZINC000156279506 551518898 /nfs/dbraw/zinc/51/88/98/551518898.db2.gz RYNGXNKAVWRLQM-NSHDSACASA-N 0 0 378.274 2.612 10 0 GFAERN Cc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c(C)cc1Br ZINC000156613633 551526279 /nfs/dbraw/zinc/52/62/79/551526279.db2.gz DIEPRMXUHDLFKI-AWEZNQCLSA-N 0 0 378.270 2.804 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000157060658 551532773 /nfs/dbraw/zinc/53/27/73/551532773.db2.gz YTUPAWTVPCIACR-LBPRGKRZSA-N 0 0 375.281 2.961 10 0 GFAERN Cc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(C)cc1Br ZINC000157991651 551545720 /nfs/dbraw/zinc/54/57/20/551545720.db2.gz DFNQODXLMVGAQR-YOEHRIQHSA-N 0 0 381.314 2.859 10 0 GFAERN O=S(=O)(c1cc(F)cc(F)c1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158491272 551552839 /nfs/dbraw/zinc/55/28/39/551552839.db2.gz OFPOPFKBRBGZFE-MLGOLLRUSA-N 0 0 375.343 2.740 10 0 GFAERN O=S(=O)(c1cc(F)ccc1F)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158509101 551552947 /nfs/dbraw/zinc/55/29/47/551552947.db2.gz CIEYAHKIGARGGT-NHYWBVRUSA-N 0 0 375.343 2.740 10 0 GFAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000158977749 551559252 /nfs/dbraw/zinc/55/92/52/551559252.db2.gz KBZSZBDLCJDMKT-LBPRGKRZSA-N 0 0 380.491 2.736 10 0 GFAERN CC(C)[C@H](O)CC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000162498257 551609079 /nfs/dbraw/zinc/60/90/79/551609079.db2.gz HYARZDHZXFCQEG-WCQYABFASA-N 0 0 379.810 2.856 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(Br)c(C)n1 ZINC000162608988 551610240 /nfs/dbraw/zinc/61/02/40/551610240.db2.gz ACPVRWFRTVDQCS-LLVKDONJSA-N 0 0 379.262 2.963 10 0 GFAERN CN(C(=O)Nc1ccc(Br)nc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000166026061 551630726 /nfs/dbraw/zinc/63/07/26/551630726.db2.gz YPPOPCBZQAUCTE-CYBMUJFWSA-N 0 0 391.273 2.767 10 0 GFAERN CCc1nc(CCNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cs1 ZINC000171243025 551651037 /nfs/dbraw/zinc/65/10/37/551651037.db2.gz HGXGVFQECUOOKY-UHFFFAOYSA-N 0 0 388.898 2.651 10 0 GFAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2OC(F)(F)F)cn1 ZINC000171432784 551655752 /nfs/dbraw/zinc/65/57/52/551655752.db2.gz MOSSJSRQIFJORO-GFCCVEGCSA-N 0 0 375.372 2.845 10 0 GFAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2cc(Br)ccc2F)cn1 ZINC000171431987 551655918 /nfs/dbraw/zinc/65/59/18/551655918.db2.gz UZAAQNBIHWQKFO-CYBMUJFWSA-N 0 0 388.262 2.848 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCS[C@@H](C)C2)c(OCC(F)(F)F)c1 ZINC000171468854 551656112 /nfs/dbraw/zinc/65/61/12/551656112.db2.gz NPCZTJBNVLEPHR-NSHDSACASA-N 0 0 376.400 2.839 10 0 GFAERN C[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CCS1 ZINC000171569239 551657978 /nfs/dbraw/zinc/65/79/78/551657978.db2.gz ZOEDFVYIILPRSC-BXUZGUMPSA-N 0 0 383.311 2.766 10 0 GFAERN C[C@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CCS1 ZINC000171568862 551658097 /nfs/dbraw/zinc/65/80/97/551658097.db2.gz OVWNFRWGOZSZOO-VIFPVBQESA-N 0 0 377.329 2.547 10 0 GFAERN C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccs1 ZINC000171968717 551668005 /nfs/dbraw/zinc/66/80/05/551668005.db2.gz LVXJTGXRBJOJNK-SNVBAGLBSA-N 0 0 399.460 2.670 10 0 GFAERN C[C@@H](NC(=O)NCC(C)(C)c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000172022418 551668921 /nfs/dbraw/zinc/66/89/21/551668921.db2.gz DUVZTHADILHGCL-GFCCVEGCSA-N 0 0 381.523 2.734 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3ccc(Br)cc3Cl)CCO2)[nH]1 ZINC000173091293 551695620 /nfs/dbraw/zinc/69/56/20/551695620.db2.gz AHQFFLWPKFBGJB-GFCCVEGCSA-N 0 0 385.649 2.743 10 0 GFAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCC(C(F)(F)F)CC1 ZINC000173591703 552088910 /nfs/dbraw/zinc/08/89/10/552088910.db2.gz BZROYMQMPFDRJW-ZDUSSCGKSA-N 0 0 376.400 2.889 10 0 GFAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000173827290 552093101 /nfs/dbraw/zinc/09/31/01/552093101.db2.gz FIPZUUHTMIBKJV-GHMZBOCLSA-N 0 0 379.345 2.758 10 0 GFAERN C[C@H]1CN(C(=O)CCc2ccccc2Br)C[C@H]1N1CCOCC1 ZINC000173825236 552093180 /nfs/dbraw/zinc/09/31/80/552093180.db2.gz UIGAWJUOABDKJX-WMLDXEAASA-N 0 0 381.314 2.561 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1cccc(Br)c1 ZINC000173841915 552093534 /nfs/dbraw/zinc/09/35/34/552093534.db2.gz DBYFOTFMFHJNQE-CQSZACIVSA-N 0 0 384.299 2.807 10 0 GFAERN CC(C)n1cc(Br)cc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173887978 552095245 /nfs/dbraw/zinc/09/52/45/552095245.db2.gz MDOOZIKUBCBLQZ-CJNGLKHVSA-N 0 0 384.318 2.624 10 0 GFAERN C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)c1ccccc1Br ZINC000174117265 552099513 /nfs/dbraw/zinc/09/95/13/552099513.db2.gz DFVJERXRUNYPBV-CYBMUJFWSA-N 0 0 392.301 2.775 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000174957189 552113094 /nfs/dbraw/zinc/11/30/94/552113094.db2.gz ZQDRQGKSCSUPQQ-FZMZJTMJSA-N 0 0 376.881 2.861 10 0 GFAERN COc1cc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)ccc1Br ZINC000175021595 552114228 /nfs/dbraw/zinc/11/42/28/552114228.db2.gz RGVBPMOYTJAPRO-ZDUSSCGKSA-N 0 0 395.257 2.587 10 0 GFAERN Cc1cnc(C(C)(C)NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000175334863 552119476 /nfs/dbraw/zinc/11/94/76/552119476.db2.gz ZOELBXZKQNZHNM-ZDUSSCGKSA-N 0 0 379.507 2.905 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000175868661 552130804 /nfs/dbraw/zinc/13/08/04/552130804.db2.gz MGRAPODXEAWKBS-ZIAGYGMSSA-N 0 0 384.267 2.761 10 0 GFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cc(Br)c[nH]1 ZINC000176540140 552140902 /nfs/dbraw/zinc/14/09/02/552140902.db2.gz MROOBIRCEJGKFU-AWEZNQCLSA-N 0 0 398.326 2.984 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)c2cc(Br)c[nH]2)N2CCOCC2)s1 ZINC000176569967 552141771 /nfs/dbraw/zinc/14/17/71/552141771.db2.gz DAYRZZCNBJMZCA-CQSZACIVSA-N 0 0 398.326 2.950 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000177977229 552162148 /nfs/dbraw/zinc/16/21/48/552162148.db2.gz OWELWURADHREQJ-OAHLLOKOSA-N 0 0 391.269 2.584 10 0 GFAERN COCCCN(C(=O)N[C@@H](C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179517427 552195644 /nfs/dbraw/zinc/19/56/44/552195644.db2.gz ATNKCRHUWMNGEL-XJKSGUPXSA-N 0 0 388.917 2.636 10 0 GFAERN O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180976758 552241823 /nfs/dbraw/zinc/24/18/23/552241823.db2.gz DUDVTDJEMLESEJ-NSHDSACASA-N 0 0 375.281 2.686 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cccc(C)c3F)CC2)cs1 ZINC000181293070 552252508 /nfs/dbraw/zinc/25/25/08/552252508.db2.gz KRXLDZSWWNFUTA-UHFFFAOYSA-N 0 0 383.514 2.796 10 0 GFAERN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CCCC[C@@H]1O ZINC000183556507 552312831 /nfs/dbraw/zinc/31/28/31/552312831.db2.gz BYRFBJXIYAKGIZ-KFWWJZLASA-N 0 0 386.279 2.701 10 0 GFAERN C[C@H](NC(=O)c1ncc(Br)cc1Br)[C@H]1CCCO1 ZINC000183996397 552325212 /nfs/dbraw/zinc/32/52/12/552325212.db2.gz BBVABQFYMQPCGR-OIBJUYFYSA-N 0 0 378.064 2.904 10 0 GFAERN COC(=O)c1sccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000184180724 552329458 /nfs/dbraw/zinc/32/94/58/552329458.db2.gz MAXOCNRVMOPHRE-DTWKUNHWSA-N 0 0 378.372 2.711 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)Nc2ccc(Br)nc2)C12CCOCC2 ZINC000184527000 552337354 /nfs/dbraw/zinc/33/73/54/552337354.db2.gz LLCPWOMRMAQTHE-STQMWFEESA-N 0 0 384.274 2.940 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184629993 552340606 /nfs/dbraw/zinc/34/06/06/552340606.db2.gz FRQUOZLBXOURPH-ZANVPECISA-N 0 0 378.778 2.965 10 0 GFAERN O[C@H](CN1CCC(Nc2cccnn2)CC1)c1ccc(F)c(Br)c1 ZINC000185000306 552350949 /nfs/dbraw/zinc/35/09/49/552350949.db2.gz NVXZTHXVASYTLY-MRXNPFEDSA-N 0 0 395.276 2.988 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(SC)c(Cl)c1)CC2 ZINC000185644913 552368113 /nfs/dbraw/zinc/36/81/13/552368113.db2.gz PVRFZNFPPBKTHR-JTQLQIEISA-N 0 0 386.930 2.509 10 0 GFAERN Cc1cnn(CCNC(=O)NC(C)(C)COc2ncccc2Br)c1 ZINC000186230964 552382324 /nfs/dbraw/zinc/38/23/24/552382324.db2.gz BWFHGNFOVYLBEA-UHFFFAOYSA-N 0 0 396.289 2.506 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)N[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186273379 552383230 /nfs/dbraw/zinc/38/32/30/552383230.db2.gz HNVDVSGAVPNAQI-WBMJQRKESA-N 0 0 398.326 2.741 10 0 GFAERN COC(=O)[C@H]1CCCN1Cc1cc(Br)cc(Br)c1N ZINC000186605783 552392565 /nfs/dbraw/zinc/39/25/65/552392565.db2.gz YVBAIMKCWKWCLQ-LLVKDONJSA-N 0 0 392.091 2.931 10 0 GFAERN O=C(Nc1cccnc1-c1ccc(Cl)s1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000187198427 552408973 /nfs/dbraw/zinc/40/89/73/552408973.db2.gz IOJVVGUMOACADA-PWSUYJOCSA-N 0 0 379.869 2.822 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187407688 552414898 /nfs/dbraw/zinc/41/48/98/552414898.db2.gz FDHGPFDZCRXWNF-NSHDSACASA-N 0 0 380.779 2.764 10 0 GFAERN Cc1cc(Br)cc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000187517187 552417486 /nfs/dbraw/zinc/41/74/86/552417486.db2.gz IBSLSSDNFDODNN-XJKSGUPXSA-N 0 0 382.302 2.942 10 0 GFAERN Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc1Br ZINC000188107629 552435011 /nfs/dbraw/zinc/43/50/11/552435011.db2.gz WIDLXRMFBOMTFQ-IUODEOHRSA-N 0 0 383.286 2.672 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188531570 552447032 /nfs/dbraw/zinc/44/70/32/552447032.db2.gz WGUOLMDUTSNMJQ-GFCCVEGCSA-N 0 0 379.298 2.755 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(Br)n2)C12CCOCC2 ZINC000188587911 552449177 /nfs/dbraw/zinc/44/91/77/552449177.db2.gz RZKLPPAXEXRAQQ-VXGBXAGGSA-N 0 0 384.274 2.940 10 0 GFAERN COC(=O)C[C@H](NC(=O)CCc1cncn1C)c1cccc(Br)c1 ZINC000188733486 552453985 /nfs/dbraw/zinc/45/39/85/552453985.db2.gz CQIBOMOFZRBDLO-HNNXBMFYSA-N 0 0 394.269 2.536 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000188898822 552457979 /nfs/dbraw/zinc/45/79/79/552457979.db2.gz UGCZSCFUCCZAEW-SECBINFHSA-N 0 0 396.216 2.594 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NOCc1ccc(F)cc1Br ZINC000189192118 552465690 /nfs/dbraw/zinc/46/56/90/552465690.db2.gz DAFRFUXWVKXEDF-CYBMUJFWSA-N 0 0 398.236 2.754 10 0 GFAERN CCOc1ccc(NC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1Br ZINC000189498536 552473292 /nfs/dbraw/zinc/47/32/92/552473292.db2.gz VFUHLVGEZLYPLJ-CYBMUJFWSA-N 0 0 384.274 2.980 10 0 GFAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 ZINC000190758506 552507788 /nfs/dbraw/zinc/50/77/88/552507788.db2.gz WOAXKHWAJKCYBS-FZMZJTMJSA-N 0 0 379.258 2.843 10 0 GFAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 ZINC000190758486 552508066 /nfs/dbraw/zinc/50/80/66/552508066.db2.gz WOAXKHWAJKCYBS-RISCZKNCSA-N 0 0 379.258 2.843 10 0 GFAERN O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@@H]1COc2ccccc21 ZINC000191170369 552520659 /nfs/dbraw/zinc/52/06/59/552520659.db2.gz GGDHGWPJZMHVNA-GFCCVEGCSA-N 0 0 397.175 2.916 10 0 GFAERN CC(=O)NC1CN(C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)C1 ZINC000191477882 552529447 /nfs/dbraw/zinc/52/94/47/552529447.db2.gz VWJQDQLCDNRNDG-UHFFFAOYSA-N 0 0 379.869 2.644 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000191947163 552543685 /nfs/dbraw/zinc/54/36/85/552543685.db2.gz UQLGDALIOYWXPU-RCOVLWMOSA-N 0 0 381.148 2.811 10 0 GFAERN O=C(c1cc(Br)c(F)cc1F)N1CCCN(c2cccnn2)CC1 ZINC000192113669 552551247 /nfs/dbraw/zinc/55/12/47/552551247.db2.gz CRPZSZWYKPYQQI-UHFFFAOYSA-N 0 0 397.223 2.870 10 0 GFAERN Cc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1S(N)(=O)=O ZINC000193017703 552980171 /nfs/dbraw/zinc/98/01/71/552980171.db2.gz NQRFKDMABMCXQZ-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN COC(=O)[C@@H]1CCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000193178620 552985744 /nfs/dbraw/zinc/98/57/44/552985744.db2.gz CUGXLCJRMOZEJT-LBPRGKRZSA-N 0 0 391.212 2.693 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3ccoc3Br)CC2)n1 ZINC000193577550 552997540 /nfs/dbraw/zinc/99/75/40/552997540.db2.gz QJGALYCPLAZYBJ-SNVBAGLBSA-N 0 0 383.246 2.507 10 0 GFAERN CC(C)(C)c1nnc(NC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000193646802 552999146 /nfs/dbraw/zinc/99/91/46/552999146.db2.gz HWPRPVKTGCSCRF-LLVKDONJSA-N 0 0 380.495 2.876 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@H]1CCOC[C@@H]1C)c1cccc(Br)c1 ZINC000194128004 553012381 /nfs/dbraw/zinc/01/23/81/553012381.db2.gz NARKUKTXRCSLBP-CQDKDKBSSA-N 0 0 384.270 2.842 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)[C@H]2Cc3cc(Br)ccc3O2)cn1 ZINC000194257850 553016133 /nfs/dbraw/zinc/01/61/33/553016133.db2.gz MQLCTQKPNDMCGO-GOEBONIOSA-N 0 0 376.254 2.850 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC(Cn2cccn2)CC1 ZINC000194336588 553017835 /nfs/dbraw/zinc/01/78/35/553017835.db2.gz GOEOUPXNXRFIBM-KRWDZBQOSA-N 0 0 390.281 2.888 10 0 GFAERN C[C@@H]1CN(C(=O)COc2cccc(I)c2)CCS1 ZINC000194570177 553024190 /nfs/dbraw/zinc/02/41/90/553024190.db2.gz QIZGHNAFCOUZSM-SNVBAGLBSA-N 0 0 377.247 2.634 10 0 GFAERN CN1CCO[C@@H](CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000246904031 553115205 /nfs/dbraw/zinc/11/52/05/553115205.db2.gz VIYUYURPCFPFMG-GUYCJALGSA-N 0 0 377.535 2.797 10 0 GFAERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246967971 553116520 /nfs/dbraw/zinc/11/65/20/553116520.db2.gz QATNMDIVUDZEFW-IPYPFGDCSA-N 0 0 387.307 2.940 10 0 GFAERN C[C@H](C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)c1ccc(Br)s1 ZINC000247043776 553118186 /nfs/dbraw/zinc/11/81/86/553118186.db2.gz YBOWZPJICVUQOQ-WOPDTQHZSA-N 0 0 375.332 2.528 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2cccc(Br)c2)C1 ZINC000262700161 553173818 /nfs/dbraw/zinc/17/38/18/553173818.db2.gz HOTAGWJGXZKHBI-UHFFFAOYSA-N 0 0 381.270 2.507 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000263483922 553188501 /nfs/dbraw/zinc/18/85/01/553188501.db2.gz LVKXAVRDRAFFSD-GFCCVEGCSA-N 0 0 395.308 2.553 10 0 GFAERN Cn1ncc(NCc2nnc(-c3ccccc3)s2)c(Br)c1=O ZINC000301662483 563409638 /nfs/dbraw/zinc/40/96/38/563409638.db2.gz VAJPRROQAUSSMY-UHFFFAOYSA-N 0 0 378.255 2.673 10 0 GFAERN NC(=O)c1cc(Cl)nnc1NCc1cc(Br)cc2c1OCC2 ZINC000302154243 563422174 /nfs/dbraw/zinc/42/21/74/563422174.db2.gz DCIHFVQMWOVIHW-UHFFFAOYSA-N 0 0 383.633 2.538 10 0 GFAERN C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)C[C@@H]1N1CCOCC1 ZINC000302531028 563426283 /nfs/dbraw/zinc/42/62/83/563426283.db2.gz QHCHSSSCIKAZNV-BBRMVZONSA-N 0 0 378.929 2.939 10 0 GFAERN CNC(=O)c1ccc([C@H]2CCCCN2c2ncc(Br)cn2)n1C ZINC000328631260 563461855 /nfs/dbraw/zinc/46/18/55/563461855.db2.gz QSEOSGMPVSOPDJ-CYBMUJFWSA-N 0 0 378.274 2.669 10 0 GFAERN C[C@H]1[C@H](O)CCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000384879085 563517878 /nfs/dbraw/zinc/51/78/78/563517878.db2.gz QIOYQTNZDZLBJA-QPUJVOFHSA-N 0 0 379.625 2.930 10 0 GFAERN C[C@@H](COCc1ccccc1)NS(=O)(=O)c1cncc(Br)c1 ZINC000390820300 563523722 /nfs/dbraw/zinc/52/37/22/563523722.db2.gz VVGXOUTXCBIANV-LBPRGKRZSA-N 0 0 385.283 2.728 10 0 GFAERN CS(=O)(=O)c1cc(NC(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)ccc1Cl ZINC000574046530 564666318 /nfs/dbraw/zinc/66/63/18/564666318.db2.gz MGSIMWLIRUUYTA-JSGCOSHPSA-N 0 0 384.885 2.776 10 0 GFAERN OCC[C@@H]1CCN(c2ncc(C(F)(F)F)cc2I)C1 ZINC000601118207 565766860 /nfs/dbraw/zinc/76/68/60/565766860.db2.gz AAMYGQSNCUZFAG-QMMMGPOBSA-N 0 0 386.155 2.914 10 0 GFAERN COc1ccc(CNC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1 ZINC000015962710 570301690 /nfs/dbraw/zinc/30/16/90/570301690.db2.gz VPCILXMKGBHVAS-UHFFFAOYSA-N 0 0 387.461 2.695 10 0 GFAERN O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1cccc2nonc21 ZINC000033543385 570312580 /nfs/dbraw/zinc/31/25/80/570312580.db2.gz HVBGMNMPGOEDEL-NTEUORMPSA-N 0 0 380.385 2.898 10 0 GFAERN COc1cc(CN2C[C@H](Sc3ccccn3)C[C@H]2C(=O)N(C)C)ccc1O ZINC000011996113 570597422 /nfs/dbraw/zinc/59/74/22/570597422.db2.gz GXEAZHFPFKBIRE-CVEARBPZSA-N 0 0 387.505 2.619 10 0 GFAERN Cc1cc(C)c([C@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2ccncc2)C3)cc1C ZINC000004355167 570690692 /nfs/dbraw/zinc/69/06/92/570690692.db2.gz OJDGCPLKMHKSKH-HXUWFJFHSA-N 0 0 376.460 2.999 10 0 GFAERN CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000157150620 570801956 /nfs/dbraw/zinc/80/19/56/570801956.db2.gz PSLSXLXBMPVQDX-NSHDSACASA-N 0 0 394.888 2.516 10 0 GFAERN O=C(Nc1ccnn1C1CCN(C(=O)c2noc3c2CCCC3)CC1)C1CC1 ZINC000015071396 570876679 /nfs/dbraw/zinc/87/66/79/570876679.db2.gz XWTJLVXKVCAPDW-UHFFFAOYSA-N 0 0 383.452 2.576 10 0 GFAERN Cc1ccccc1[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000041298424 654625625 /nfs/dbraw/zinc/62/56/25/654625625.db2.gz NNCZGTHEUQTNLE-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN O=S(=O)(c1cc(Br)ccc1F)N1CCC(c2cc[nH]n2)CC1 ZINC000122450124 654737493 /nfs/dbraw/zinc/73/74/93/654737493.db2.gz CMIAIBXFDQIBDB-UHFFFAOYSA-N 0 0 388.262 2.880 10 0 GFAERN Cc1cc(OC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)ccc1Cl ZINC000055545029 654776180 /nfs/dbraw/zinc/77/61/80/654776180.db2.gz ZCJJVVXYDAKHAK-LLVKDONJSA-N 0 0 378.837 2.681 10 0 GFAERN COc1ccc(Br)c(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000127833617 654835317 /nfs/dbraw/zinc/83/53/17/654835317.db2.gz NCJLRJFYIPRENJ-LBPRGKRZSA-N 0 0 379.258 2.602 10 0 GFAERN Cc1csc(N2CCN(C[C@@H](O)COCc3ccc(Cl)cc3)CC2)n1 ZINC000061159682 654836987 /nfs/dbraw/zinc/83/69/87/654836987.db2.gz ZFEPOICIWUSVCB-QGZVFWFLSA-N 0 0 381.929 2.805 10 0 GFAERN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c(Cl)c1 ZINC000128458742 654847448 /nfs/dbraw/zinc/84/74/48/654847448.db2.gz OHUZJEXQXDEBFK-CQSZACIVSA-N 0 0 380.901 2.728 10 0 GFAERN Cc1cc(NC(=O)CNC(=O)N[C@H](C)[C@@H]2CCCO2)ccc1Br ZINC000131997458 654924710 /nfs/dbraw/zinc/92/47/10/654924710.db2.gz WDVYAEXUVDMTPM-RISCZKNCSA-N 0 0 384.274 2.563 10 0 GFAERN CCS(=O)(=O)CCNC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000132464743 654938582 /nfs/dbraw/zinc/93/85/82/654938582.db2.gz FJSFTYUZMQZIFV-GXFFZTMASA-N 0 0 379.309 2.831 10 0 GFAERN C[C@H](NC(=O)c1cccc(I)c1)c1nnc2n1CCCC2 ZINC000135252276 655012795 /nfs/dbraw/zinc/01/27/95/655012795.db2.gz RBIBJPJJQJOYGJ-JTQLQIEISA-N 0 0 396.232 2.710 10 0 GFAERN CCCCc1nnc(NC(=O)CN2CCO[C@@H](c3nc(C)cs3)C2)s1 ZINC000136937400 655036800 /nfs/dbraw/zinc/03/68/00/655036800.db2.gz DKGKAYIJZNFVLT-GFCCVEGCSA-N 0 0 381.527 2.658 10 0 GFAERN COC(=O)[C@@H]1CCCN(Cn2nc(C)n(CCc3cccs3)c2=S)C1 ZINC000151639850 655053237 /nfs/dbraw/zinc/05/32/37/655053237.db2.gz HZXPNJSPJQWHEB-CQSZACIVSA-N 0 0 380.539 2.869 10 0 GFAERN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000102660622 655057475 /nfs/dbraw/zinc/05/74/75/655057475.db2.gz INIJBPGJOYWZIZ-VIFPVBQESA-N 0 0 394.262 2.550 10 0 GFAERN CCSc1nn(CN2CCN([C@H](C)c3nc(C)no3)CC2)c(=S)s1 ZINC000152635539 655060483 /nfs/dbraw/zinc/06/04/83/655060483.db2.gz DYBXGLWIFFZHDB-SNVBAGLBSA-N 0 0 386.572 2.814 10 0 GFAERN CCSc1nn(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c(=S)s1 ZINC000152863104 655062464 /nfs/dbraw/zinc/06/24/64/655062464.db2.gz IXEQPRRQEFVOPB-ZDUSSCGKSA-N 0 0 385.584 2.958 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@@H](C)C(C)C)s1 ZINC000103850409 655076491 /nfs/dbraw/zinc/07/64/91/655076491.db2.gz FOMLSYKWPJJDIO-ZDUSSCGKSA-N 0 0 375.560 2.665 10 0 GFAERN Cc1csc([C@@H]2CCCN(Cn3nnn(C4CCOCC4)c3=S)C2)n1 ZINC000106062777 655101769 /nfs/dbraw/zinc/10/17/69/655101769.db2.gz PWDPICAUWFPDCB-CYBMUJFWSA-N 0 0 380.543 2.763 10 0 GFAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1cc(Cl)ccc1Cl ZINC000106071155 655102063 /nfs/dbraw/zinc/10/20/63/655102063.db2.gz ZKUNALJRKZMXKJ-UHFFFAOYSA-N 0 0 380.279 2.934 10 0 GFAERN COCCN1CCN([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C[C@H]1C ZINC000106108116 655103079 /nfs/dbraw/zinc/10/30/79/655103079.db2.gz WJPGPMYMTWYMAN-HUUCEWRRSA-N 0 0 398.345 2.737 10 0 GFAERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3c(Cl)cccc3Cl)CCO2)c1 ZINC000106198094 655104996 /nfs/dbraw/zinc/10/49/96/655104996.db2.gz ZKCGYDHPBPDLQR-ZDUSSCGKSA-N 0 0 383.279 2.838 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000106392487 655107853 /nfs/dbraw/zinc/10/78/53/655107853.db2.gz XOUPJPXLPVTKJB-GFCCVEGCSA-N 0 0 375.694 2.631 10 0 GFAERN Cc1ccc([C@H](CNC(=O)C[C@@H]2CSCCS2)N2CCOCC2)s1 ZINC000160530596 655122730 /nfs/dbraw/zinc/12/27/30/655122730.db2.gz PJVNBQFELGKZIL-CABCVRRESA-N 0 0 386.608 2.785 10 0 GFAERN COC(=O)N[C@@H](C(=O)Nc1cccc(I)c1)C(C)C ZINC000108150372 655128512 /nfs/dbraw/zinc/12/85/12/655128512.db2.gz OKSMPFQFEIEHTK-LLVKDONJSA-N 0 0 376.194 2.610 10 0 GFAERN Cc1csc([C@@H](OC(=O)c2coc(S(=O)(=O)N(C)C)c2)C(F)(F)F)n1 ZINC000166905133 655142361 /nfs/dbraw/zinc/14/23/61/655142361.db2.gz WEDPYEBYBBBHEH-SNVBAGLBSA-N 0 0 398.384 2.755 10 0 GFAERN O[C@H](Cn1cnc2c1ncnc2N1CCCC1)c1cccc(Br)c1 ZINC000109198259 655143476 /nfs/dbraw/zinc/14/34/76/655143476.db2.gz LLTMJKAERPHCMH-CQSZACIVSA-N 0 0 388.269 2.923 10 0 GFAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000110512848 655156143 /nfs/dbraw/zinc/15/61/43/655156143.db2.gz PDPOKAJZAMTGSK-HZPDHXFCSA-N 0 0 382.913 2.940 10 0 GFAERN CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000173053489 655162426 /nfs/dbraw/zinc/16/24/26/655162426.db2.gz YOPHFHDORJDXIB-AWEZNQCLSA-N 0 0 399.285 2.701 10 0 GFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Br)cc2)ncn1 ZINC000173407701 655170395 /nfs/dbraw/zinc/17/03/95/655170395.db2.gz DCNJRTDQULMXDO-CQSZACIVSA-N 0 0 390.285 2.680 10 0 GFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Cl)c(Cl)n2C)ncn1 ZINC000173425877 655171456 /nfs/dbraw/zinc/17/14/56/655171456.db2.gz BEMISNGYHABIAQ-SNVBAGLBSA-N 0 0 383.283 2.562 10 0 GFAERN CNC(=O)c1ccc(Cl)c(NC(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000111726664 655176958 /nfs/dbraw/zinc/17/69/58/655176958.db2.gz NVGGZNHVKQNYNE-CYBMUJFWSA-N 0 0 380.857 2.762 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)n1 ZINC000112036471 655181081 /nfs/dbraw/zinc/18/10/81/655181081.db2.gz UJTOUSNZNBBBHS-JTQLQIEISA-N 0 0 384.267 2.853 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)CCc3cccc(Br)c3)CCO2)c1 ZINC000112066374 655181541 /nfs/dbraw/zinc/18/15/41/655181541.db2.gz OBZOGVGGGGEDBM-KRWDZBQOSA-N 0 0 392.297 2.814 10 0 GFAERN COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000112362287 655189685 /nfs/dbraw/zinc/18/96/85/655189685.db2.gz IKEYLNOOXUFOON-LBPRGKRZSA-N 0 0 385.873 2.683 10 0 GFAERN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NC[C@H]1CCCC[C@H]1O ZINC000174281512 655196871 /nfs/dbraw/zinc/19/68/71/655196871.db2.gz MPQUEKCMHYTYJQ-TZMCWYRMSA-N 0 0 380.901 2.555 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)NCc3nc(C)c(C)s3)CC2)cs1 ZINC000174306909 655198482 /nfs/dbraw/zinc/19/84/82/655198482.db2.gz FINUNASFVXSLJQ-UHFFFAOYSA-N 0 0 379.555 2.942 10 0 GFAERN CS(=O)(=O)Cc1nc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)cs1 ZINC000174375600 655200536 /nfs/dbraw/zinc/20/05/36/655200536.db2.gz VSCGEZRBRXWOEM-IRXDYDNUSA-N 0 0 380.535 2.776 10 0 GFAERN CC[C@H]1CN(C(=O)CSc2nc3ccccc3s2)CCN1C[C@@H](C)O ZINC000174597508 655204741 /nfs/dbraw/zinc/20/47/41/655204741.db2.gz KVZJUCFRZCXOHJ-KGLIPLIRSA-N 0 0 379.551 2.692 10 0 GFAERN CCc1csc([C@H]2CCCN(C(=O)CSc3nnnn3C3CC3)C2)n1 ZINC000113201105 655205097 /nfs/dbraw/zinc/20/50/97/655205097.db2.gz TWIWEZPPWYXUED-NSHDSACASA-N 0 0 378.527 2.525 10 0 GFAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000113369168 655208724 /nfs/dbraw/zinc/20/87/24/655208724.db2.gz NOWRLNNXPALIQY-QJPTWQEYSA-N 0 0 391.331 2.973 10 0 GFAERN Cc1cc(N2CCC[C@H](NC(=O)CCc3ccc(Cl)s3)C2=O)n(C)n1 ZINC000174991395 655211722 /nfs/dbraw/zinc/21/17/22/655211722.db2.gz HMDWGKHWXSGKDU-ZDUSSCGKSA-N 0 0 380.901 2.688 10 0 GFAERN O=C(NCCc1ccc(Br)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000175029253 655212684 /nfs/dbraw/zinc/21/26/84/655212684.db2.gz JKRJZXQDHBVLBK-HNNXBMFYSA-N 0 0 378.274 2.630 10 0 GFAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000175355948 655220677 /nfs/dbraw/zinc/22/06/77/655220677.db2.gz LKIBWCUYIWBQRB-MEDUHNTESA-N 0 0 379.869 2.590 10 0 GFAERN O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@@H]1CCc2nccn2C1 ZINC000275218555 655223397 /nfs/dbraw/zinc/22/33/97/655223397.db2.gz BTDJSUZAMPCWLY-RNVIBTMRSA-N 0 0 396.310 2.798 10 0 GFAERN COc1ccc(Br)c(NC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000175835342 655227641 /nfs/dbraw/zinc/22/76/41/655227641.db2.gz FZGAXTPYAAPMFY-NSHDSACASA-N 0 0 380.246 2.918 10 0 GFAERN CCN(CC)C(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000114840469 655229176 /nfs/dbraw/zinc/22/91/76/655229176.db2.gz IJUFINPXMUGERT-UHFFFAOYSA-N 0 0 398.179 2.592 10 0 GFAERN Cc1cc(CCC(=O)N2CC[C@H](N3CCOCC3)C2)ccc1Br ZINC000176186818 655238898 /nfs/dbraw/zinc/23/88/98/655238898.db2.gz YJFGQJFGHQIVEQ-INIZCTEOSA-N 0 0 381.314 2.623 10 0 GFAERN C[C@@H](Oc1ccccc1Br)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116119946 655244195 /nfs/dbraw/zinc/24/41/95/655244195.db2.gz MECBAWFFKSONMU-OLZOCXBDSA-N 0 0 378.270 2.966 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)/C=C/c3ccc(I)o3)C2)cn1 ZINC000116116295 655244212 /nfs/dbraw/zinc/24/42/12/655244212.db2.gz TZQZMOAEVKDJQH-JOAKQRRISA-N 0 0 397.216 2.647 10 0 GFAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cc(Br)ccc1Cl ZINC000176747355 655254729 /nfs/dbraw/zinc/25/47/29/655254729.db2.gz QCDGUDCCYPSVPY-SNVBAGLBSA-N 0 0 391.678 2.507 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3C)C2)n1 ZINC000116899619 655256182 /nfs/dbraw/zinc/25/61/82/655256182.db2.gz WBVPNFFQFWEGLX-OAHLLOKOSA-N 0 0 382.917 2.958 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(Br)ccc2O)C[C@H]1CC ZINC000116977269 655258117 /nfs/dbraw/zinc/25/81/17/655258117.db2.gz WPXDYGJOJDMRNC-CQSZACIVSA-N 0 0 385.302 2.728 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000177136821 655269787 /nfs/dbraw/zinc/26/97/87/655269787.db2.gz QXFGREWEBIJSGE-MRVPVSSYSA-N 0 0 393.654 2.997 10 0 GFAERN Cc1cnn(CCNC(=O)NCC2(c3cccc(Br)c3)CC2)c1 ZINC000118076751 655271650 /nfs/dbraw/zinc/27/16/50/655271650.db2.gz CCKKITQCJVGTGI-UHFFFAOYSA-N 0 0 377.286 2.985 10 0 GFAERN CC(C)(C)n1cc(CN2CCN(C(=O)c3occc3Br)CC2)cn1 ZINC000177370066 655274050 /nfs/dbraw/zinc/27/40/50/655274050.db2.gz CQRRECBILMPPBG-UHFFFAOYSA-N 0 0 395.301 2.952 10 0 GFAERN C[C@@H](CNC(=O)N[C@@H]1CCCn2ncnc21)Oc1ccccc1Br ZINC000177376756 655274411 /nfs/dbraw/zinc/27/44/11/655274411.db2.gz GQWNMXPSPDRRPM-WCQYABFASA-N 0 0 394.273 2.642 10 0 GFAERN CCn1ccnc1CS(=O)(=O)c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000177512244 655278688 /nfs/dbraw/zinc/27/86/88/655278688.db2.gz YVDMEVWDLFQFBJ-UHFFFAOYSA-N 0 0 393.778 2.592 10 0 GFAERN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177546822 655280625 /nfs/dbraw/zinc/28/06/25/655280625.db2.gz BVEJIQNDXSVIGW-BXKDBHETSA-N 0 0 378.778 2.965 10 0 GFAERN C[C@H]1CN(C(=O)Nc2ccc(Br)cc2F)C[C@@H]1N1CCOCC1 ZINC000177691234 655286451 /nfs/dbraw/zinc/28/64/51/655286451.db2.gz TVGRJUOVGCRWNT-NHYWBVRUSA-N 0 0 386.265 2.773 10 0 GFAERN COc1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc(OC)c1Br ZINC000177810595 655288996 /nfs/dbraw/zinc/28/89/96/655288996.db2.gz KJFLHCBQHKXLAW-CYBMUJFWSA-N 0 0 394.269 2.968 10 0 GFAERN COc1cc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1Br ZINC000177888871 655290275 /nfs/dbraw/zinc/29/02/75/655290275.db2.gz BNYXOEIIPILFCS-WFASDCNBSA-N 0 0 398.301 2.642 10 0 GFAERN CN(C)c1ncc(Br)cc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119342351 655299721 /nfs/dbraw/zinc/29/97/21/655299721.db2.gz FAADNZIOPPFTAS-YVEFUNNKSA-N 0 0 382.302 2.677 10 0 GFAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119463146 655304736 /nfs/dbraw/zinc/30/47/36/655304736.db2.gz IZELOLPUOAHGGK-UHFFFAOYSA-N 0 0 377.242 2.517 10 0 GFAERN Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000181340228 655335388 /nfs/dbraw/zinc/33/53/88/655335388.db2.gz JZSVPGJQSYPHKY-CYBMUJFWSA-N 0 0 390.237 2.731 10 0 GFAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000184504059 655357650 /nfs/dbraw/zinc/35/76/50/655357650.db2.gz BOFBJIGQPRLSFD-CABCVRRESA-N 0 0 375.296 2.644 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000184732246 655359089 /nfs/dbraw/zinc/35/90/89/655359089.db2.gz WUYGLWQYGBGZEG-NSHDSACASA-N 0 0 398.257 2.878 10 0 GFAERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)CCc1cccs1 ZINC000189665470 655387465 /nfs/dbraw/zinc/38/74/65/655387465.db2.gz MRHIMMMYZJFHQB-UKRRQHHQSA-N 0 0 388.555 2.903 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C)c1cccs1 ZINC000193527727 655410835 /nfs/dbraw/zinc/41/08/35/655410835.db2.gz MQJPPVNVWPOGJY-JTQLQIEISA-N 0 0 379.869 2.919 10 0 GFAERN COCC[S@](=O)Cc1cccc(NS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000255517282 655439358 /nfs/dbraw/zinc/43/93/58/655439358.db2.gz XHBJKIUWZFRJLM-VGLXENQISA-N 0 0 379.503 2.994 10 0 GFAERN Cc1cc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)ccc1Br ZINC000263472882 655451995 /nfs/dbraw/zinc/45/19/95/655451995.db2.gz YJRCYALJUZLBCR-UHFFFAOYSA-N 0 0 395.297 2.815 10 0 GFAERN Cc1cc(Br)cnc1NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702856791 655521902 /nfs/dbraw/zinc/52/19/02/655521902.db2.gz JJOKKMOTEFMYGU-AAEUAGOBSA-N 0 0 386.290 2.792 10 0 GFAERN COC(=O)c1cc(Br)c(NC[C@@H]2CCc3nccn3C2)nc1C ZINC000893585207 663416330 /nfs/dbraw/zinc/41/63/30/663416330.db2.gz RJEIAJQGTNTHFA-NSHDSACASA-N 0 0 379.258 2.810 10 0 GFAERN C[C@@H](C(=O)NCC(C)(C)n1ccnc1)N1C(=S)N=NC1c1cccs1 ZINC000912616582 664295052 /nfs/dbraw/zinc/29/50/52/664295052.db2.gz KGQPOXAETGUMJV-NSHDSACASA-N 0 0 376.511 2.604 10 0 GFAERN O=C(CNC(=O)NC[C@H](O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000065513468 677395205 /nfs/dbraw/zinc/39/52/05/677395205.db2.gz MWMJEXKSSLIWRA-HNNXBMFYSA-N 0 0 382.247 2.965 10 0 GFAERN O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1csnn1)NC1CCCC1 ZINC000001378448 203903601 /nfs/dbraw/zinc/90/36/01/203903601.db2.gz BCFHMRGRALRYGD-UHFFFAOYSA-N 0 0 378.885 2.893 10 0 GFAERN O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCCc3ccccc3)ccc21 ZINC000004971499 204098345 /nfs/dbraw/zinc/09/83/45/204098345.db2.gz MQJLOSFVAVXLTJ-UHFFFAOYSA-N 0 0 384.501 2.897 10 0 GFAERN CCC(=O)NC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)NC(C)(C)C ZINC000006802177 204208196 /nfs/dbraw/zinc/20/81/96/204208196.db2.gz GEMNPDFVHWCQCW-HNNXBMFYSA-N 0 0 377.485 2.637 10 0 GFAERN O=C(NCc1cnn(-c2ccccc2)n1)[C@@H]1CC(CCc2ccccc2)=NO1 ZINC000011787660 204352434 /nfs/dbraw/zinc/35/24/34/204352434.db2.gz IHIVPHFHJWNSLN-FQEVSTJZSA-N 0 0 375.432 2.661 10 0 GFAERN O=C(c1ccc2ccccc2n1)N1C[C@@H]2C[C@H]1C(=O)N2c1ccc2c(c1)OCO2 ZINC000012159378 204378004 /nfs/dbraw/zinc/37/80/04/204378004.db2.gz OHNUQVBTLVXBBT-YJBOKZPZSA-N 0 0 387.395 2.593 10 0 GFAERN C[C@@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)C1=O ZINC000012005044 204366934 /nfs/dbraw/zinc/36/69/34/204366934.db2.gz KFMKFCBQZPYJMW-LLVKDONJSA-N 0 0 384.885 2.715 10 0 GFAERN C[C@@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)C1=O ZINC000012005052 204367753 /nfs/dbraw/zinc/36/77/53/204367753.db2.gz WTMDBRLXBLYFOJ-GFCCVEGCSA-N 0 0 384.885 2.525 10 0 GFAERN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc4cccnc43)cc2)C1=O ZINC000012021412 204368041 /nfs/dbraw/zinc/36/80/41/204368041.db2.gz CKHCMKSITTVKRF-ZDUSSCGKSA-N 0 0 395.440 2.800 10 0 GFAERN C[C@@H]1CN(CC(=O)NCc2nc(-c3ccccc3)no2)Cc2ccccc2O1 ZINC000012080001 204369867 /nfs/dbraw/zinc/36/98/67/204369867.db2.gz SULXGESGOPNFJA-OAHLLOKOSA-N 0 0 378.432 2.636 10 0 GFAERN Cc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N(C)c1ccccc1 ZINC000012209044 204384315 /nfs/dbraw/zinc/38/43/15/204384315.db2.gz ASNBDDKOQRMBRQ-UHFFFAOYSA-N 0 0 394.518 2.750 10 0 GFAERN COc1ccc(OCc2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)n[nH]2)c(Cl)c1 ZINC000012305161 204394037 /nfs/dbraw/zinc/39/40/37/204394037.db2.gz SYPDFDYSKOGVNK-TXEJJXNPSA-N 0 0 379.844 2.900 10 0 GFAERN CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1ccc(Br)cc1 ZINC000012942709 204469232 /nfs/dbraw/zinc/46/92/32/204469232.db2.gz UWJRMHDKILOIJA-UHFFFAOYSA-N 0 0 386.271 2.751 10 0 GFAERN O=C(CCC1CCN(C(=O)Cn2ccnc2-c2ccccc2)CC1)NC1CC1 ZINC000019113475 204626334 /nfs/dbraw/zinc/62/63/34/204626334.db2.gz JIVBMHUSWRYFKF-UHFFFAOYSA-N 0 0 380.492 2.848 10 0 GFAERN Cc1c(C(=O)NCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000020280083 204710116 /nfs/dbraw/zinc/71/01/16/204710116.db2.gz JQVLKCAWNFFOIL-UHFFFAOYSA-N 0 0 388.468 2.572 10 0 GFAERN CCn1nc(C)c2ccn(CC(=O)NCc3ccccc3C(F)(F)F)c(=O)c21 ZINC000033171583 204949419 /nfs/dbraw/zinc/94/94/19/204949419.db2.gz SJEZHMVNMYJHFK-UHFFFAOYSA-N 0 0 392.381 2.862 10 0 GFAERN COCCNC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)Cc2cccs2)C1 ZINC000034738282 204974268 /nfs/dbraw/zinc/97/42/68/204974268.db2.gz GYLLLXNBNRACTQ-ROUUACIJSA-N 0 0 386.517 2.686 10 0 GFAERN Cc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)NCCc3ccccn3)no2)cc1 ZINC000036002328 205001419 /nfs/dbraw/zinc/00/14/19/205001419.db2.gz QGQWMFOENAPKTI-HNNXBMFYSA-N 0 0 378.432 2.522 10 0 GFAERN COc1cccc(C(=O)N2CCC3(CC2)N[C@@H](CC(C)C)C(=O)N3C2CC2)c1 ZINC000036032609 205002365 /nfs/dbraw/zinc/00/23/65/205002365.db2.gz ODJNTWHFPUBDBV-IBGZPJMESA-N 0 0 385.508 2.636 10 0 GFAERN COCCN(CCC(=O)N1CCCCC1)C(=O)c1cc(-c2ccccc2)on1 ZINC000037452485 205026073 /nfs/dbraw/zinc/02/60/73/205026073.db2.gz YLPGSRKPWHVQGB-UHFFFAOYSA-N 0 0 385.464 2.833 10 0 GFAERN COC(=O)[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC[C@@H](O)C1 ZINC000039795862 205044699 /nfs/dbraw/zinc/04/46/99/205044699.db2.gz FZENGCHVMVPETO-JLCFBVMHSA-N 0 0 381.428 2.982 10 0 GFAERN O=C(NCCc1ccco1)[C@@H]1CCCN(C(=O)c2cccn2-c2cccnc2)C1 ZINC000045901768 205098686 /nfs/dbraw/zinc/09/86/86/205098686.db2.gz MBWHQYAXBPMQCC-QGZVFWFLSA-N 0 0 392.459 2.676 10 0 GFAERN O=S(=O)(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1F ZINC000064969548 205203635 /nfs/dbraw/zinc/20/36/35/205203635.db2.gz HQLXQRMFEBPHED-UHFFFAOYSA-N 0 0 380.832 2.785 10 0 GFAERN Cc1noc(C)c1S(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)CC(C)C ZINC000064977096 205203983 /nfs/dbraw/zinc/20/39/83/205203983.db2.gz FMGYGRSTRQKOIE-UHFFFAOYSA-N 0 0 391.493 2.705 10 0 GFAERN O=C(NCCc1cccs1)[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000065259658 205224192 /nfs/dbraw/zinc/22/41/92/205224192.db2.gz DVMKTSNHEOELQH-KRWDZBQOSA-N 0 0 396.578 2.781 10 0 GFAERN COC(=O)c1cccc(NC(=O)[C@H]2CCc3sc(C(=O)N(C)C)cc3C2)c1 ZINC000065273092 205226084 /nfs/dbraw/zinc/22/60/84/205226084.db2.gz RQWYWKRZTPFWLJ-LBPRGKRZSA-N 0 0 386.473 2.980 10 0 GFAERN Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSC[C@@H](O)c3ccccc3)n12 ZINC000065489791 205236533 /nfs/dbraw/zinc/23/65/33/205236533.db2.gz NEXZRNMDMGDLKI-QGZVFWFLSA-N 0 0 380.473 2.856 10 0 GFAERN CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NCc2ccncc2)[C@H](c2ccc(F)cc2)[N@@H+]1C ZINC000067783869 205260938 /nfs/dbraw/zinc/26/09/38/205260938.db2.gz RZYUKQKZPHOSAX-WFXMLNOXSA-N 0 0 385.439 2.763 10 0 GFAERN CNc1nc(C)c(C(=O)N2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)s1 ZINC000091690964 205424063 /nfs/dbraw/zinc/42/40/63/205424063.db2.gz FZHIUTIYMRISIK-IBGZPJMESA-N 0 0 376.526 2.748 10 0 GFAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1ccnc(Cl)n1 ZINC000095086715 205437630 /nfs/dbraw/zinc/43/76/30/205437630.db2.gz WMDGUMMJIAZWJB-NSHDSACASA-N 0 0 375.878 2.693 10 0 GFAERN COc1cc(NC(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc(OC)c1 ZINC000224142139 206013670 /nfs/dbraw/zinc/01/36/70/206013670.db2.gz IRNLDICNQALJBV-UHFFFAOYSA-N 0 0 386.456 2.804 10 0 GFAERN CN(C)c1nc(N2CCCC2)ncc1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000224143599 206014748 /nfs/dbraw/zinc/01/47/48/206014748.db2.gz POTZDVNVNBYILZ-UHFFFAOYSA-N 0 0 384.440 2.558 10 0 GFAERN C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)C[C@H](C)O1 ZINC000027969952 206022265 /nfs/dbraw/zinc/02/22/65/206022265.db2.gz YDAYZUZNIGQXMB-BETUJISGSA-N 0 0 378.270 2.943 10 0 GFAERN O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12 ZINC000096269142 206120946 /nfs/dbraw/zinc/12/09/46/206120946.db2.gz HVHYFWIJKIBQHK-QGZVFWFLSA-N 0 0 383.414 2.806 10 0 GFAERN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1Cc1c(F)cccc1F ZINC000299765009 206187251 /nfs/dbraw/zinc/18/72/51/206187251.db2.gz YOERXAJQVIQHIU-ABAIWWIYSA-N 0 0 380.416 2.572 10 0 GFAERN CCCN1c2cc(C(=O)NCc3ccccc3)ccc2N2C(=O)CC[C@H]2C1=O ZINC000065202255 136160040 /nfs/dbraw/zinc/16/00/40/136160040.db2.gz MIDPDYFZSQGNPI-SFHVURJKSA-N 0 0 377.444 2.869 10 0 GFAERN CN1C(=O)COc2ccc(NC(=O)N3CCCC[C@@H]3CCn3cccn3)cc21 ZINC000096136741 136184118 /nfs/dbraw/zinc/18/41/18/136184118.db2.gz MTRHYINGIYPZPT-MRXNPFEDSA-N 0 0 383.452 2.715 10 0 GFAERN C[C@H]1OC[C@H]2O[C@H](O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2O1 ZINC000034427294 518185169 /nfs/dbraw/zinc/18/51/69/518185169.db2.gz BALYQVSNDKYQHO-GKNIHABASA-N 0 0 386.444 2.636 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCC(NC(=S)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000085344943 525522131 /nfs/dbraw/zinc/52/21/31/525522131.db2.gz IQALJFOYTHWQHL-MRXNPFEDSA-N 0 0 395.594 2.755 10 0 GFAERN CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000504397678 526321452 /nfs/dbraw/zinc/32/14/52/526321452.db2.gz VRADRJBKILTRPZ-PUQNTHDKSA-N 0 0 388.552 2.785 10 0 GFAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccccn3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073685721 527611417 /nfs/dbraw/zinc/61/14/17/527611417.db2.gz ZXCZNQDYIDXEHW-UHFFFAOYSA-N 0 0 393.422 2.551 10 0 GFAERN O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000010994612 551106217 /nfs/dbraw/zinc/10/62/17/551106217.db2.gz AWZNSHAHVSXPHV-CQSZACIVSA-N 0 0 383.828 2.893 10 0 GFAERN O=C(COc1ccc(F)cc1Cl)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000010994617 551106473 /nfs/dbraw/zinc/10/64/73/551106473.db2.gz AWZNSHAHVSXPHV-AWEZNQCLSA-N 0 0 383.828 2.893 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1cccc(Cl)c1 ZINC000042626142 551139769 /nfs/dbraw/zinc/13/97/69/551139769.db2.gz YRAVKOPFJNTCCK-JTQLQIEISA-N 0 0 378.837 2.605 10 0 GFAERN CC(C)[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000043070284 551140530 /nfs/dbraw/zinc/14/05/30/551140530.db2.gz GYFXZKODHRFQMK-LBPRGKRZSA-N 0 0 391.896 2.540 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1ccccc1Cl ZINC000068323313 551191371 /nfs/dbraw/zinc/19/13/71/551191371.db2.gz RYBBTEDJTVDICN-GFCCVEGCSA-N 0 0 384.860 2.805 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)no1 ZINC000110024059 551202080 /nfs/dbraw/zinc/20/20/80/551202080.db2.gz XHELSELXQJYASK-UHFFFAOYSA-N 0 0 383.279 2.962 10 0 GFAERN CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000113590126 551208294 /nfs/dbraw/zinc/20/82/94/551208294.db2.gz GYGHXNRVVGBTRP-WDEREUQCSA-N 0 0 377.304 2.633 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1cc(OC)ccn1)c1cccc(Br)c1 ZINC000116002476 551210894 /nfs/dbraw/zinc/21/08/94/551210894.db2.gz GLMTUUTVBRRSEQ-AWEZNQCLSA-N 0 0 393.237 2.887 10 0 GFAERN O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC[C@H]1c1ccco1 ZINC000116044670 551211500 /nfs/dbraw/zinc/21/15/00/551211500.db2.gz BTFOARLWPDHQSH-ZDUSSCGKSA-N 0 0 375.475 2.946 10 0 GFAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)C2)cn1 ZINC000116369604 551213137 /nfs/dbraw/zinc/21/31/37/551213137.db2.gz DSCMJOLAQDQMCV-JTQLQIEISA-N 0 0 377.363 2.756 10 0 GFAERN CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CCN1CCOC ZINC000117371891 551213955 /nfs/dbraw/zinc/21/39/55/551213955.db2.gz OFKRIIRIGVJVDM-LBPRGKRZSA-N 0 0 381.325 2.725 10 0 GFAERN Cc1ccc([C@H](C)NC(=O)c2nc3ncc(Br)cn3n2)cc1F ZINC000119430142 551216343 /nfs/dbraw/zinc/21/63/43/551216343.db2.gz FSVZIYDDFGROCX-VIFPVBQESA-N 0 0 378.205 2.825 10 0 GFAERN O=C(Cc1ccccc1I)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119625036 551217982 /nfs/dbraw/zinc/21/79/82/551217982.db2.gz FEENAKASBHRNFM-WMLDXEAASA-N 0 0 399.272 2.987 10 0 GFAERN Cc1cccc(NC(=O)C(=O)N[C@H]2COc3ccccc32)c1Br ZINC000120996207 551224790 /nfs/dbraw/zinc/22/47/90/551224790.db2.gz MXUANINLZLARHI-ZDUSSCGKSA-N 0 0 375.222 2.946 10 0 GFAERN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)s2)cs1 ZINC000121361249 551232959 /nfs/dbraw/zinc/23/29/59/551232959.db2.gz UJDJQBHIDOPICI-SNVBAGLBSA-N 0 0 381.508 2.585 10 0 GFAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121846106 551243775 /nfs/dbraw/zinc/24/37/75/551243775.db2.gz TWLJZORGNKVVCX-BONVTDFDSA-N 0 0 379.450 2.512 10 0 GFAERN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000122481992 551298183 /nfs/dbraw/zinc/29/81/83/551298183.db2.gz OHBUGMVEBOMCKX-UHFFFAOYSA-N 0 0 375.372 2.877 10 0 GFAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123386883 551306121 /nfs/dbraw/zinc/30/61/21/551306121.db2.gz AVZURNSQMIMWPI-SJCJKPOMSA-N 0 0 381.270 2.541 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(I)c1C ZINC000124368885 551314038 /nfs/dbraw/zinc/31/40/38/551314038.db2.gz DPXKUFIDYDYUAJ-ZDUSSCGKSA-N 0 0 396.232 2.764 10 0 GFAERN COC(=O)[C@@H](NS(=O)(=O)c1cc(C)ccc1Br)c1ccccc1 ZINC000126969821 551335136 /nfs/dbraw/zinc/33/51/36/551335136.db2.gz BQVITNDYCYIMAH-HNNXBMFYSA-N 0 0 398.278 2.950 10 0 GFAERN C[C@H](NC(=O)NCCNC(=O)c1cccnc1)c1ccccc1Br ZINC000126965552 551335229 /nfs/dbraw/zinc/33/52/29/551335229.db2.gz JQCDZXPJIIYWAU-LBPRGKRZSA-N 0 0 391.269 2.634 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cc(C)ccc3Cl)CCO2)n1 ZINC000127355038 551340505 /nfs/dbraw/zinc/34/05/05/551340505.db2.gz XKPJFDWAYDLSAU-HNNXBMFYSA-N 0 0 383.901 2.551 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C)ccc1Br ZINC000128194048 551346939 /nfs/dbraw/zinc/34/69/39/551346939.db2.gz UWMIJTGTWNVHPQ-GFCCVEGCSA-N 0 0 399.314 2.725 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1Cl ZINC000128743905 551351883 /nfs/dbraw/zinc/35/18/83/551351883.db2.gz AZCXGWZDPZOGSA-JTQLQIEISA-N 0 0 391.873 2.922 10 0 GFAERN CCN(CC)S(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@@H]2C)ccc1Cl ZINC000131288454 551373999 /nfs/dbraw/zinc/37/39/99/551373999.db2.gz VAHGPQGEGLFMFA-BETUJISGSA-N 0 0 388.917 2.620 10 0 GFAERN Cc1nc(C[C@H]2CCCN(C(=O)c3ccc(Br)c(O)c3)C2)no1 ZINC000134059289 551384589 /nfs/dbraw/zinc/38/45/89/551384589.db2.gz ZFHMOLNUIOCKNB-LLVKDONJSA-N 0 0 380.242 2.941 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(Br)c(O)c3)C2)no1 ZINC000134059092 551384631 /nfs/dbraw/zinc/38/46/31/551384631.db2.gz ZFHMOLNUIOCKNB-NSHDSACASA-N 0 0 380.242 2.941 10 0 GFAERN O=C(c1cccc(I)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000135730830 551388882 /nfs/dbraw/zinc/38/88/82/551388882.db2.gz OMPRKLMIXLXGAD-HNNXBMFYSA-N 0 0 394.212 2.980 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3ccc(C)nc3Br)CCO2)c1 ZINC000151438691 551413769 /nfs/dbraw/zinc/41/37/69/551413769.db2.gz VEUUZDOFVIRKMS-ZDUSSCGKSA-N 0 0 394.273 2.590 10 0 GFAERN Cc1cnn([C@H]2CCCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C2)c1 ZINC000151707976 551419931 /nfs/dbraw/zinc/41/99/31/551419931.db2.gz MOEXUPZINRAQDP-ZDUSSCGKSA-N 0 0 381.885 2.726 10 0 GFAERN C[C@@H]1CC[C@H](C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)O1 ZINC000151780096 551420977 /nfs/dbraw/zinc/42/09/77/551420977.db2.gz ZTHGMHVSJJBEGM-MLGOLLRUSA-N 0 0 385.277 2.800 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)[C@H](C)Cc2ccc(Br)cc2)n1 ZINC000152759805 551439710 /nfs/dbraw/zinc/43/97/10/551439710.db2.gz HNWXUDUPRAEBIB-IAQYHMDHSA-N 0 0 394.269 2.919 10 0 GFAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1nc2ncc(Br)cn2n1 ZINC000153295870 551449802 /nfs/dbraw/zinc/44/98/02/551449802.db2.gz XQQQBQJYDAPTRN-CYBMUJFWSA-N 0 0 390.216 2.833 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)COc2ccccc2Br)C1 ZINC000153465810 551453022 /nfs/dbraw/zinc/45/30/22/551453022.db2.gz GVMWSSZXLFWSGD-CYBMUJFWSA-N 0 0 393.285 2.846 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cncc(Br)c1)c1ccc(F)c(F)c1 ZINC000153537663 551454941 /nfs/dbraw/zinc/45/49/41/551454941.db2.gz MXDMDJIRPIVXAD-QMMMGPOBSA-N 0 0 384.180 2.938 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000154018426 551465356 /nfs/dbraw/zinc/46/53/56/551465356.db2.gz XABBSVYWEMIOES-RHSMWYFYSA-N 0 0 392.297 2.752 10 0 GFAERN COc1ccc(C(=O)N2CCS[C@@H](C)C2)c(I)c1 ZINC000155047756 551489741 /nfs/dbraw/zinc/48/97/41/551489741.db2.gz YMVUYJANWCPHQM-VIFPVBQESA-N 0 0 377.247 2.877 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cc(Cl)cnc1N)c1cccc(-n2ccnc2)c1 ZINC000155118348 551491948 /nfs/dbraw/zinc/49/19/48/551491948.db2.gz XZYWPZYPDOQAAA-LLVKDONJSA-N 0 0 377.857 2.542 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCc1cccc(Br)c1 ZINC000155171603 551493690 /nfs/dbraw/zinc/49/36/90/551493690.db2.gz LQQCHTXMJVBMTB-CQSZACIVSA-N 0 0 393.285 2.771 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(Br)c1C ZINC000155279058 551496267 /nfs/dbraw/zinc/49/62/67/551496267.db2.gz AOWZKZVTYXEBBQ-CYBMUJFWSA-N 0 0 379.258 2.760 10 0 GFAERN O=C(c1ccc(Br)cc1-n1cncn1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000155298953 551496627 /nfs/dbraw/zinc/49/66/27/551496627.db2.gz MBSKDJVFOCGMPX-GDBMZVCRSA-N 0 0 391.269 2.813 10 0 GFAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccc(O)c(Br)c1 ZINC000156551972 551524709 /nfs/dbraw/zinc/52/47/09/551524709.db2.gz WKWFESKOYOHZHV-NSHDSACASA-N 0 0 392.253 2.981 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000157235959 551535395 /nfs/dbraw/zinc/53/53/95/551535395.db2.gz JTMIRWGGEZWVRQ-SMDDNHRTSA-N 0 0 384.274 2.563 10 0 GFAERN C[C@H](C(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccc(Br)cc1 ZINC000162534960 551609031 /nfs/dbraw/zinc/60/90/31/551609031.db2.gz IIGAFPMQLWEDAT-XJKSGUPXSA-N 0 0 378.270 2.677 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000171053940 551645284 /nfs/dbraw/zinc/64/52/84/551645284.db2.gz LPILLZDECURARZ-WBMJQRKESA-N 0 0 376.503 2.633 10 0 GFAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2Br)cn1 ZINC000171432717 551655788 /nfs/dbraw/zinc/65/57/88/551655788.db2.gz AMNSMODLKMNLPL-CYBMUJFWSA-N 0 0 388.262 2.848 10 0 GFAERN O=C(c1ccc(I)c(F)c1)N1CCN2CCCC[C@H]2C1 ZINC000171476783 551657091 /nfs/dbraw/zinc/65/70/91/551657091.db2.gz VYRPCDAWRFQWAD-LBPRGKRZSA-N 0 0 388.224 2.741 10 0 GFAERN Cc1cnn(C[C@@H]2CN(Cc3cc4c(c(Br)c3)OCO4)CCO2)c1 ZINC000171513455 551657355 /nfs/dbraw/zinc/65/73/55/551657355.db2.gz NORQZWCDDZXEFO-AWEZNQCLSA-N 0 0 394.269 2.584 10 0 GFAERN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCS[C@@H](C)C1 ZINC000171568803 551658180 /nfs/dbraw/zinc/65/81/80/551658180.db2.gz WMYUNPCCYDVPFF-IUCAKERBSA-N 0 0 377.329 2.593 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCS[C@@H](C)C1 ZINC000171568797 551658221 /nfs/dbraw/zinc/65/82/21/551658221.db2.gz WMYUNPCCYDVPFF-DTWKUNHWSA-N 0 0 377.329 2.593 10 0 GFAERN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000172076724 551670083 /nfs/dbraw/zinc/67/00/83/551670083.db2.gz HUONECYLJCXCMD-GFCCVEGCSA-N 0 0 375.281 2.752 10 0 GFAERN O=C(c1cc(Cl)c(Cl)[nH]1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000172330700 551676608 /nfs/dbraw/zinc/67/66/08/551676608.db2.gz HDGIARHYKWGIML-UHFFFAOYSA-N 0 0 384.267 2.930 10 0 GFAERN O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172849321 551688259 /nfs/dbraw/zinc/68/82/59/551688259.db2.gz HSTHBDDDMWBICL-HUUCEWRRSA-N 0 0 378.485 2.583 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)COc3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000173093946 551695849 /nfs/dbraw/zinc/69/58/49/551695849.db2.gz XOMKKQNGECHCKY-ZDUSSCGKSA-N 0 0 385.251 2.653 10 0 GFAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N(CCO)CCOCC(F)(F)F ZINC000173659559 552090388 /nfs/dbraw/zinc/09/03/88/552090388.db2.gz DJZOCVDXBKXAPC-MNOVXSKESA-N 0 0 380.329 2.690 10 0 GFAERN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000173843376 552093682 /nfs/dbraw/zinc/09/36/82/552093682.db2.gz QUKLTNHKKSXYBQ-PBHICJAKSA-N 0 0 395.341 2.906 10 0 GFAERN CC[C@H](O)C[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000174084502 552098600 /nfs/dbraw/zinc/09/86/00/552098600.db2.gz ZHTACNNDKPRVIB-ZFWWWQNUSA-N 0 0 388.339 2.559 10 0 GFAERN COC(=O)c1ccsc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000174612525 552107053 /nfs/dbraw/zinc/10/70/53/552107053.db2.gz XMDOOKHIZVIPTL-DTWKUNHWSA-N 0 0 378.372 2.711 10 0 GFAERN O=C(CCc1ccc(Br)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000176361743 552139248 /nfs/dbraw/zinc/13/92/48/552139248.db2.gz WJXHHTHVDGNXGW-INIZCTEOSA-N 0 0 378.270 2.506 10 0 GFAERN O=C(NC[C@@H](O)CN1CCOCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000176438680 552140424 /nfs/dbraw/zinc/14/04/24/552140424.db2.gz OXARENOLVGYSKJ-LLVKDONJSA-N 0 0 389.304 2.631 10 0 GFAERN Cc1noc(Cl)c1CC(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176545433 552141002 /nfs/dbraw/zinc/14/10/02/552141002.db2.gz CLYVGNPEHJHLBI-AWEZNQCLSA-N 0 0 383.901 2.772 10 0 GFAERN Cc1ccc([C@H](CNC(=O)c2cc(Br)c[nH]2)N2CCOCC2)s1 ZINC000176569985 552142037 /nfs/dbraw/zinc/14/20/37/552142037.db2.gz DAYRZZCNBJMZCA-AWEZNQCLSA-N 0 0 398.326 2.950 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000176671361 552143451 /nfs/dbraw/zinc/14/34/51/552143451.db2.gz MIKPGEVGVBDNRE-NSHDSACASA-N 0 0 393.241 2.597 10 0 GFAERN O=C(NCCCc1ccc(Br)cc1F)N[C@@H]1CCCn2ncnc21 ZINC000177348978 552153167 /nfs/dbraw/zinc/15/31/67/552153167.db2.gz QJILBNPGNCEWTN-CQSZACIVSA-N 0 0 396.264 2.947 10 0 GFAERN Cc1ccc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1Br ZINC000177730960 552158183 /nfs/dbraw/zinc/15/81/83/552158183.db2.gz LEIUWKFFRAVEOJ-BBRMVZONSA-N 0 0 382.302 2.942 10 0 GFAERN Cc1c(Br)cccc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177824462 552159286 /nfs/dbraw/zinc/15/92/86/552159286.db2.gz QHERHKDUGOZTAT-BLLLJJGKSA-N 0 0 382.302 2.942 10 0 GFAERN C[C@@H](COCc1ccccc1)NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177975409 552161866 /nfs/dbraw/zinc/16/18/66/552161866.db2.gz VMMNTHUFIDKOTG-LBPRGKRZSA-N 0 0 394.269 2.875 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1nnc2n1CCCC2 ZINC000178372084 552169804 /nfs/dbraw/zinc/16/98/04/552169804.db2.gz ZSYILZWZQBZJAW-VIFPVBQESA-N 0 0 382.251 2.737 10 0 GFAERN CCc1nnc(CS(=O)(=O)[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1C ZINC000179619379 552197627 /nfs/dbraw/zinc/19/76/27/552197627.db2.gz FWSBTTJUQPOMOZ-JTQLQIEISA-N 0 0 377.388 2.952 10 0 GFAERN CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c(Cl)s1 ZINC000179953432 552208048 /nfs/dbraw/zinc/20/80/48/552208048.db2.gz POYLLHJUQLBPIH-SECBINFHSA-N 0 0 395.911 2.924 10 0 GFAERN C[C@H](C(=O)N[C@H]1CCCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000180145387 552214788 /nfs/dbraw/zinc/21/47/88/552214788.db2.gz HOQBKQYBVMEUMZ-ZJUUUORDSA-N 0 0 385.247 2.663 10 0 GFAERN C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCCO1 ZINC000180463832 552226552 /nfs/dbraw/zinc/22/65/52/552226552.db2.gz OYUOCWLOUVSXOR-COLVAYQJSA-N 0 0 386.279 2.965 10 0 GFAERN CCn1c(C)nnc1CN[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180464239 552226785 /nfs/dbraw/zinc/22/67/85/552226785.db2.gz LSXLNEQEUVASNZ-JTQLQIEISA-N 0 0 381.274 2.991 10 0 GFAERN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCC[C@H](Cn2cncn2)C1 ZINC000180967587 552242019 /nfs/dbraw/zinc/24/20/19/552242019.db2.gz AQAKBBYGRZTXHP-GFCCVEGCSA-N 0 0 389.308 2.827 10 0 GFAERN Cc1ccc2c(c1)[C@@H](NC(=O)Cn1cc(Br)ccc1=O)[C@@H](C)C2 ZINC000181222653 552250599 /nfs/dbraw/zinc/25/05/99/552250599.db2.gz MMRLTKIWRZKJAZ-SGTLLEGYSA-N 0 0 375.266 2.969 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)c1nc3ncc(Br)cn3n1)[C@H](C)C2 ZINC000181242282 552251193 /nfs/dbraw/zinc/25/11/93/552251193.db2.gz BWONGGJGFWNVHT-QMTHXVAHSA-N 0 0 386.253 2.859 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3ccc(Br)nc3C)CCO2)c1 ZINC000181331088 552253463 /nfs/dbraw/zinc/25/34/63/552253463.db2.gz OQJBERBVEWCTOL-ZDUSSCGKSA-N 0 0 394.273 2.590 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(Br)cc1C)CC2 ZINC000181938511 552270933 /nfs/dbraw/zinc/27/09/33/552270933.db2.gz MMDJBZRXLMZIPD-AWEZNQCLSA-N 0 0 377.286 2.585 10 0 GFAERN CC(C)n1nnnc1CS(=O)(=O)CCCc1ccccc1Br ZINC000182503792 552285995 /nfs/dbraw/zinc/28/59/95/552285995.db2.gz SYTMNUTULKLIRO-UHFFFAOYSA-N 0 0 387.303 2.564 10 0 GFAERN Cc1nc(C(F)(F)F)c(CS(=O)(=O)Cc2nnc(C(C)C)n2C)s1 ZINC000183707631 552317070 /nfs/dbraw/zinc/31/70/70/552317070.db2.gz BWRJLWPVLVFXNV-UHFFFAOYSA-N 0 0 382.433 2.837 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184193671 552328958 /nfs/dbraw/zinc/32/89/58/552328958.db2.gz STAAEVLXNZQZHD-RCQQVGEISA-N 0 0 382.873 2.503 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cncnc1N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000184427198 552335317 /nfs/dbraw/zinc/33/53/17/552335317.db2.gz QOUXGGKSROJJFM-SECBINFHSA-N 0 0 382.251 2.665 10 0 GFAERN O=C(NC1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1)C1CCC1 ZINC000186176089 552381300 /nfs/dbraw/zinc/38/13/00/552381300.db2.gz YFPOFHWMKZDEFD-UHFFFAOYSA-N 0 0 396.818 2.648 10 0 GFAERN O=C(Nc1cc(Cl)ccc1F)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186269897 552383349 /nfs/dbraw/zinc/38/33/49/552383349.db2.gz HBGXYDWBVVTITO-AAEUAGOBSA-N 0 0 382.844 2.714 10 0 GFAERN COC(=O)[C@@H](NC(=O)c1cc(Br)c(C)nc1OC)c1ccccc1 ZINC000186347760 552385317 /nfs/dbraw/zinc/38/53/17/552385317.db2.gz SUZQJUCZVGBAMP-AWEZNQCLSA-N 0 0 393.237 2.805 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000186372960 552386621 /nfs/dbraw/zinc/38/66/21/552386621.db2.gz ZFCVPIHPBDKXTI-QGZVFWFLSA-N 0 0 394.269 2.950 10 0 GFAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000187207398 552409273 /nfs/dbraw/zinc/40/92/73/552409273.db2.gz HYBNSVUVLPDGID-ZWNOBZJWSA-N 0 0 387.249 2.502 10 0 GFAERN Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000187232516 552410069 /nfs/dbraw/zinc/41/00/69/552410069.db2.gz BDFOVGODVCAEAH-GFCCVEGCSA-N 0 0 384.299 2.669 10 0 GFAERN O=C(NCCOc1ccc(Cl)cn1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187574869 552419187 /nfs/dbraw/zinc/41/91/87/552419187.db2.gz MBOOQASPQATOIZ-ZFWWWQNUSA-N 0 0 381.885 2.593 10 0 GFAERN Cc1c(Br)cccc1CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000187870647 552426427 /nfs/dbraw/zinc/42/64/27/552426427.db2.gz LWGFENWADKVWMD-AWEZNQCLSA-N 0 0 377.286 2.830 10 0 GFAERN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188531550 552447252 /nfs/dbraw/zinc/44/72/52/552447252.db2.gz WGUOLMDUTSNMJQ-LBPRGKRZSA-N 0 0 379.298 2.755 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)Nc2cccc(Br)n2)C1 ZINC000188581800 552449190 /nfs/dbraw/zinc/44/91/90/552449190.db2.gz RAGIOSHCARIDJG-NSHDSACASA-N 0 0 379.262 2.867 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(Br)ncc1Cl)CC2 ZINC000188823831 552456513 /nfs/dbraw/zinc/45/65/13/552456513.db2.gz SCJYYKQAWZHHSI-VIFPVBQESA-N 0 0 398.692 2.957 10 0 GFAERN Cc1cnn(C[C@H]2CN(CCOc3cc(F)cc(Br)c3)CCO2)c1 ZINC000188962588 552459716 /nfs/dbraw/zinc/45/97/16/552459716.db2.gz WVDDYBBMZVBTSZ-QGZVFWFLSA-N 0 0 398.276 2.873 10 0 GFAERN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000189455008 552471865 /nfs/dbraw/zinc/47/18/65/552471865.db2.gz NFWSWCPDWYYJAH-PWSUYJOCSA-N 0 0 376.425 2.868 10 0 GFAERN COCCN1CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@@H]1C ZINC000190523721 552500032 /nfs/dbraw/zinc/50/00/32/552500032.db2.gz CJBQSZPHRHYHSN-SUMWQHHRSA-N 0 0 386.323 2.751 10 0 GFAERN O=C1[C@@H](N2CC[C@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000190603494 552502793 /nfs/dbraw/zinc/50/27/93/552502793.db2.gz FLSKVZOUUKPXIR-YOEHRIQHSA-N 0 0 384.307 2.505 10 0 GFAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000190654409 552505007 /nfs/dbraw/zinc/50/50/07/552505007.db2.gz MPTYWBWUBFOPSQ-OCCSQVGLSA-N 0 0 387.343 2.970 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCS1 ZINC000190817933 552510173 /nfs/dbraw/zinc/51/01/73/552510173.db2.gz ZBWIPUKGMMOEEL-SSDOTTSWSA-N 0 0 379.226 2.630 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000191443846 552528516 /nfs/dbraw/zinc/52/85/16/552528516.db2.gz DVJYKESMQLWQBH-SECBINFHSA-N 0 0 394.686 2.946 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Cc3ccc(Br)c(F)c3)CCO2)cn1 ZINC000191752446 552536996 /nfs/dbraw/zinc/53/69/96/552536996.db2.gz ALQJEKKPPHWVSL-INIZCTEOSA-N 0 0 396.260 2.947 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Cc3cccc(Br)c3)CCO2)cn1 ZINC000191799531 552538304 /nfs/dbraw/zinc/53/83/04/552538304.db2.gz JYRNDBTXERBJRK-INIZCTEOSA-N 0 0 378.270 2.808 10 0 GFAERN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000192045700 552547377 /nfs/dbraw/zinc/54/73/77/552547377.db2.gz LXEILBFLGKWKBF-KBPBESRZSA-N 0 0 385.251 2.708 10 0 GFAERN COC(=O)c1cccc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)c1Br ZINC000192423843 552563221 /nfs/dbraw/zinc/56/32/21/552563221.db2.gz QCXYUWOXTNUDCC-GWCFXTLKSA-N 0 0 385.258 2.908 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000192643013 552568620 /nfs/dbraw/zinc/56/86/20/552568620.db2.gz ABTPYJHASHZLDN-GFCCVEGCSA-N 0 0 395.253 2.698 10 0 GFAERN COc1c(C)cc(S(=O)(=O)N2CCO[C@@H](c3nc(C)cs3)C2)cc1C ZINC000193943728 553007677 /nfs/dbraw/zinc/00/76/77/553007677.db2.gz AJXFBRSHPSBYFM-OAHLLOKOSA-N 0 0 382.507 2.839 10 0 GFAERN Cn1c(C[S@@](=O)Cc2noc(-c3ccc(Cl)cc3)n2)nnc1C1CC1 ZINC000194212603 553015102 /nfs/dbraw/zinc/01/51/02/553015102.db2.gz UXACLOHNZTUESN-VWLOTQADSA-N 0 0 377.857 2.845 10 0 GFAERN Cn1c(C[S@@](=O)Cc2cn3cc(Br)ccc3n2)nnc1C1CC1 ZINC000194268414 553015961 /nfs/dbraw/zinc/01/59/61/553015961.db2.gz IQUSXVXRWPGUPK-QHCPKHFHSA-N 0 0 394.298 2.552 10 0 GFAERN CCOC(=O)[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000194357476 553018507 /nfs/dbraw/zinc/01/85/07/553018507.db2.gz LALFNXOHIUUGFX-GXFFZTMASA-N 0 0 380.794 2.943 10 0 GFAERN CCn1c(C)nnc1CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000194643734 553026283 /nfs/dbraw/zinc/02/62/83/553026283.db2.gz JVDHZOZIWFBLSZ-INIZCTEOSA-N 0 0 382.251 2.880 10 0 GFAERN Cc1csc([C@H]2CN(CC(=O)Nc3ccc(Br)cn3)CCO2)n1 ZINC000195387833 553046550 /nfs/dbraw/zinc/04/65/50/553046550.db2.gz WTNMSIOGNOKVJP-GFCCVEGCSA-N 0 0 397.298 2.621 10 0 GFAERN COC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245405319 553090196 /nfs/dbraw/zinc/09/01/96/553090196.db2.gz SJAFGUIALJJOBE-TZMCWYRMSA-N 0 0 383.286 2.511 10 0 GFAERN C[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000245661393 553095076 /nfs/dbraw/zinc/09/50/76/553095076.db2.gz GBZCHCCASSYCKZ-CZUORRHYSA-N 0 0 380.838 2.786 10 0 GFAERN C[C@H](NC(=O)CN1CC[C@@H](N2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000246236586 553104966 /nfs/dbraw/zinc/10/49/66/553104966.db2.gz TYYRFLWLCJJTSW-DZGCQCFKSA-N 0 0 386.323 2.577 10 0 GFAERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246836699 553114535 /nfs/dbraw/zinc/11/45/35/553114535.db2.gz DEZWYISSUBIRHI-IGCXYCKISA-N 0 0 387.307 2.940 10 0 GFAERN CN1CCO[C@H](CNC(=O)[C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248543514 553130589 /nfs/dbraw/zinc/13/05/89/553130589.db2.gz CMJRMBOVHJEZPB-KMFMINBZSA-N 0 0 387.307 2.908 10 0 GFAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000249702656 553145754 /nfs/dbraw/zinc/14/57/54/553145754.db2.gz JDLSIZGPRIJXRM-JKSUJKDBSA-N 0 0 376.881 2.799 10 0 GFAERN COc1ccc(CN2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000263492319 553188667 /nfs/dbraw/zinc/18/86/67/553188667.db2.gz IVNRAFMGNJOOAN-AWEZNQCLSA-N 0 0 385.302 2.829 10 0 GFAERN Cc1ccc(I)c(Oc2nn3c(nccc3=O)s2)c1 ZINC000301486520 563405134 /nfs/dbraw/zinc/40/51/34/563405134.db2.gz XPVFSLDXUVAMRN-UHFFFAOYSA-N 0 0 385.186 2.856 10 0 GFAERN CCOC(=O)[C@]1(C)CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)C1 ZINC000301762273 563411718 /nfs/dbraw/zinc/41/17/18/563411718.db2.gz MLEDZMSFULMMRZ-CQSZACIVSA-N 0 0 383.363 2.899 10 0 GFAERN CCOC(=O)N1CCC[C@H]([C@H](C)Nc2ncc(Br)c(NC)n2)C1 ZINC000302538169 563425909 /nfs/dbraw/zinc/42/59/09/563425909.db2.gz NCLPKPTVCHYOFY-QWRGUYRKSA-N 0 0 386.294 2.950 10 0 GFAERN O=S(=O)(N1CCC(Nc2ccc(OC(F)(F)F)cn2)CC1)C(F)(F)F ZINC000302555015 563426937 /nfs/dbraw/zinc/42/69/37/563426937.db2.gz JKPCDSNUEMMSOG-UHFFFAOYSA-N 0 0 393.309 2.706 10 0 GFAERN CNC(=O)c1ccc([C@@H]2CCCCN2c2ncc(Br)cn2)n1C ZINC000328631261 563461724 /nfs/dbraw/zinc/46/17/24/563461724.db2.gz QSEOSGMPVSOPDJ-ZDUSSCGKSA-N 0 0 378.274 2.669 10 0 GFAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000366859715 563822328 /nfs/dbraw/zinc/82/23/28/563822328.db2.gz VFRINHFMRWDTCG-LALPHHSUSA-N 0 0 378.416 2.542 10 0 GFAERN OCC[C@H]1CCN(c2ncc(C(F)(F)F)cc2I)C1 ZINC000601118206 565767135 /nfs/dbraw/zinc/76/71/35/565767135.db2.gz AAMYGQSNCUZFAG-MRVPVSSYSA-N 0 0 386.155 2.914 10 0 GFAERN CC(C)(C)N=C1Nc2ccccc2CN[C@@]12CCN(C(=O)c1ccncc1)C2 ZINC000065265941 570894883 /nfs/dbraw/zinc/89/48/83/570894883.db2.gz BCJSWMNIJKLADF-JOCHJYFZSA-N 0 0 377.492 2.888 10 0 GFAERN C[C@@H](NC(=O)CCSc1ccccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000017853646 654522113 /nfs/dbraw/zinc/52/21/13/654522113.db2.gz CFWZCRJZZXDLSY-GFCCVEGCSA-N 0 0 382.482 2.833 10 0 GFAERN COC[C@H](C)NS(=O)(=O)c1ccc(Br)cc1Br ZINC000037574606 654615541 /nfs/dbraw/zinc/61/55/41/654615541.db2.gz BSZQLFWCCVJYIW-ZETCQYMHSA-N 0 0 387.093 2.525 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)s1 ZINC000041759282 654631156 /nfs/dbraw/zinc/63/11/56/654631156.db2.gz WBTURWVSVXAIFX-VIFPVBQESA-N 0 0 386.882 2.621 10 0 GFAERN O=S(=O)(Nc1ccc(I)cc1)N1CCCCCC1 ZINC000042418158 654639595 /nfs/dbraw/zinc/63/95/95/654639595.db2.gz FPZBDXDEWAUMMZ-UHFFFAOYSA-N 0 0 380.251 2.824 10 0 GFAERN CN(C(=O)c1cccc(Br)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000121998345 654727565 /nfs/dbraw/zinc/72/75/65/654727565.db2.gz DLHIAUYPHNSBGV-HNNXBMFYSA-N 0 0 375.270 2.980 10 0 GFAERN Cc1ccc(Br)cc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000124782943 654781193 /nfs/dbraw/zinc/78/11/93/654781193.db2.gz KQVZJMZYISUKLA-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN CN(C)c1ncc(Br)cc1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125397205 654793534 /nfs/dbraw/zinc/79/35/34/654793534.db2.gz MVXUCUJCOUNHHK-UHFFFAOYSA-N 0 0 378.274 2.653 10 0 GFAERN C[C@@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000128248008 654843269 /nfs/dbraw/zinc/84/32/69/654843269.db2.gz GBZCHCCASSYCKZ-CJNGLKHVSA-N 0 0 380.838 2.786 10 0 GFAERN O=C(CSc1nncs1)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000131318891 654901833 /nfs/dbraw/zinc/90/18/33/654901833.db2.gz RIOFQPVUPJRXIO-RYUDHWBXSA-N 0 0 389.424 2.984 10 0 GFAERN C[C@H](NC(=O)c1ccccc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000069099115 654973133 /nfs/dbraw/zinc/97/31/33/654973133.db2.gz MGXFOTXWSCIYBJ-JTQLQIEISA-N 0 0 383.267 2.588 10 0 GFAERN C[C@@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1ccccc1Br ZINC000069917571 654989101 /nfs/dbraw/zinc/98/91/01/654989101.db2.gz KENCXGWMNDZTTC-WDEREUQCSA-N 0 0 377.304 2.585 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Br ZINC000070705511 654993867 /nfs/dbraw/zinc/99/38/67/654993867.db2.gz IXYWDHIAVIFSFU-ZDUSSCGKSA-N 0 0 375.288 2.592 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)[C@@H]3COc4ccc(Br)cc43)C2)cn1 ZINC000134993956 655007004 /nfs/dbraw/zinc/00/70/04/655007004.db2.gz QXGBAWWGHATJLJ-XHDPSFHLSA-N 0 0 376.254 2.675 10 0 GFAERN C[C@@H](NC(=O)Cc1ccc(F)c(Br)c1)c1nnc2n1CCCC2 ZINC000135419681 655016168 /nfs/dbraw/zinc/01/61/68/655016168.db2.gz JPLLZZOEYNRFDR-SNVBAGLBSA-N 0 0 381.249 2.936 10 0 GFAERN CCC1CCC(NS(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)CC1 ZINC000093908649 655022716 /nfs/dbraw/zinc/02/27/16/655022716.db2.gz KAHFFPUSKLBEGW-UHFFFAOYSA-N 0 0 392.518 2.834 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cccnc3Br)C2)n1 ZINC000135621779 655023015 /nfs/dbraw/zinc/02/30/15/655023015.db2.gz QMOOTDPZJALWRD-ZDUSSCGKSA-N 0 0 378.274 2.605 10 0 GFAERN COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000093944042 655025479 /nfs/dbraw/zinc/02/54/79/655025479.db2.gz WJZZKFUMUDJGHH-HZMBPMFUSA-N 0 0 379.400 2.885 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)NCc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000136239945 655029109 /nfs/dbraw/zinc/02/91/09/655029109.db2.gz AYGKSCWSSFLZDW-CYBMUJFWSA-N 0 0 384.267 2.957 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000098051238 655039033 /nfs/dbraw/zinc/03/90/33/655039033.db2.gz KZRFRCOXCZIERW-SNVBAGLBSA-N 0 0 391.873 2.922 10 0 GFAERN C[C@H](OC(=O)Cn1cc(Br)ccc1=O)c1nc2ccccc2[nH]1 ZINC000102129719 655051359 /nfs/dbraw/zinc/05/13/59/655051359.db2.gz LKERUGVVUIHSPF-JTQLQIEISA-N 0 0 376.210 2.792 10 0 GFAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000104681743 655084067 /nfs/dbraw/zinc/08/40/67/655084067.db2.gz XRXYUUSAIPETOS-GUYCJALGSA-N 0 0 389.297 2.805 10 0 GFAERN Brc1cc2c(cc1CN1CCCN(c3cccnn3)CC1)OCO2 ZINC000106070587 655101740 /nfs/dbraw/zinc/10/17/40/655101740.db2.gz JZZSDBWCDGLYNY-UHFFFAOYSA-N 0 0 391.269 2.680 10 0 GFAERN Cc1noc([C@H](C)N2CCN(C[C@H](O)c3cccc(Br)c3)CC2)n1 ZINC000106134599 655103790 /nfs/dbraw/zinc/10/37/90/655103790.db2.gz WQVJNQAEPKHGNH-LRDDRELGSA-N 0 0 395.301 2.553 10 0 GFAERN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000106219118 655105307 /nfs/dbraw/zinc/10/53/07/655105307.db2.gz IMSCXWQAHASHPV-AWEZNQCLSA-N 0 0 382.295 2.880 10 0 GFAERN COC(=O)N[C@@H](C(=O)N1CCO[C@@H](c2ccccc2Br)C1)C(C)C ZINC000108264592 655130432 /nfs/dbraw/zinc/13/04/32/655130432.db2.gz FJLBGDKYYOUKPF-HUUCEWRRSA-N 0 0 399.285 2.730 10 0 GFAERN CC(=O)N(c1nn(CN2CC[C@]3(O)CCCC[C@@H]3C2)c(=S)s1)C1CC1 ZINC000164949877 655138939 /nfs/dbraw/zinc/13/89/39/655138939.db2.gz LBBLNZALBGMEFZ-CXAGYDPISA-N 0 0 382.555 2.774 10 0 GFAERN O=C(c1cc(F)cc(Br)c1)N1CCCN(c2cccnn2)CC1 ZINC000109631926 655149277 /nfs/dbraw/zinc/14/92/77/655149277.db2.gz AKBSOVSBXXTAIR-UHFFFAOYSA-N 0 0 379.233 2.731 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3cc(Br)ccc3F)CC2)cn1 ZINC000109658882 655149875 /nfs/dbraw/zinc/14/98/75/655149875.db2.gz NLBQCFUNSGHRGN-UHFFFAOYSA-N 0 0 395.276 2.670 10 0 GFAERN O=C(c1ccc(Br)cc1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000111077512 655163993 /nfs/dbraw/zinc/16/39/93/655163993.db2.gz BXDJUKXKJSWYND-LBPRGKRZSA-N 0 0 384.661 2.840 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)NCCc3sc(C)nc3C)CC2)s1 ZINC000111862414 655178211 /nfs/dbraw/zinc/17/82/11/655178211.db2.gz JAXTTXUMSSWQJO-UHFFFAOYSA-N 0 0 379.555 2.595 10 0 GFAERN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CC[C@H](N2CCOCC2)C1 ZINC000173793321 655181476 /nfs/dbraw/zinc/18/14/76/655181476.db2.gz XYFJPFMEUYMPGP-HOCLYGCPSA-N 0 0 381.929 2.993 10 0 GFAERN CC(C)Oc1cc(Br)cc(C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000174080227 655191806 /nfs/dbraw/zinc/19/18/06/655191806.db2.gz OSBSSZQHQGJWOM-ZDUSSCGKSA-N 0 0 385.302 2.687 10 0 GFAERN Cc1c2cc(Br)ccc2oc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112653742 655194423 /nfs/dbraw/zinc/19/44/23/655194423.db2.gz UOZNDVINBXXSKQ-NSHDSACASA-N 0 0 375.226 2.840 10 0 GFAERN CC(C)(Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112748362 655197193 /nfs/dbraw/zinc/19/71/93/655197193.db2.gz HFEWSDBEEYYZFP-CQSZACIVSA-N 0 0 392.301 2.676 10 0 GFAERN COCc1c(Br)cccc1NC(=O)N[C@H]1CCCn2ncnc21 ZINC000175975577 655230648 /nfs/dbraw/zinc/23/06/48/655230648.db2.gz RULMYEJPHUZHBF-ZDUSSCGKSA-N 0 0 380.246 2.844 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000176120138 655235479 /nfs/dbraw/zinc/23/54/79/655235479.db2.gz ADXNGYIDBJMWNH-MNOVXSKESA-N 0 0 379.463 2.596 10 0 GFAERN COc1nc(NCC[C@@H](C)NC(=O)OC(C)(C)C)ncc1Br ZINC000176240427 655241188 /nfs/dbraw/zinc/24/11/88/655241188.db2.gz DTXGQPBKZONGQO-SECBINFHSA-N 0 0 375.267 2.963 10 0 GFAERN NC(=O)c1ccc(OCCc2nc(-c3ccc(Br)o3)no2)cc1 ZINC000176459044 655246126 /nfs/dbraw/zinc/24/61/26/655246126.db2.gz SZTDTJNEFOSXGI-UHFFFAOYSA-N 0 0 378.182 2.813 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)NCCNc3ncc(Cl)cc3Cl)C2)cn1 ZINC000116531175 655248955 /nfs/dbraw/zinc/24/89/55/655248955.db2.gz WFYAGODBNVMJSY-LLVKDONJSA-N 0 0 383.283 2.733 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3Cl)C2)n1 ZINC000116900017 655256123 /nfs/dbraw/zinc/25/61/23/655256123.db2.gz OJDADUVEZOYOTH-HNNXBMFYSA-N 0 0 382.917 2.958 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)n1 ZINC000116899658 655256138 /nfs/dbraw/zinc/25/61/38/655256138.db2.gz GQMUVXHLPCAAJY-CYBMUJFWSA-N 0 0 386.880 2.788 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc(Br)cn3C)C2)n1 ZINC000116988838 655258396 /nfs/dbraw/zinc/25/83/96/655258396.db2.gz OUMPCNIBINKJNQ-CYBMUJFWSA-N 0 0 380.290 2.548 10 0 GFAERN Cc1csc([C@H](OC(=O)c2ccc(CNS(C)(=O)=O)o2)C(F)(F)F)n1 ZINC000176920870 655261296 /nfs/dbraw/zinc/26/12/96/655261296.db2.gz RJJKUQPWHIFENI-JTQLQIEISA-N 0 0 398.384 2.554 10 0 GFAERN COCCN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@@H]1C ZINC000117294561 655263518 /nfs/dbraw/zinc/26/35/18/655263518.db2.gz DQEJCPZFDLLAFP-LBPRGKRZSA-N 0 0 380.286 2.723 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1Br ZINC000118671203 655280513 /nfs/dbraw/zinc/28/05/13/655280513.db2.gz KOTRIHNGZAVICF-LBPRGKRZSA-N 0 0 379.233 2.777 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(F)cc1Br ZINC000177586025 655282629 /nfs/dbraw/zinc/28/26/29/655282629.db2.gz HDAUVUUMQQGCNF-SECBINFHSA-N 0 0 396.278 2.939 10 0 GFAERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1F ZINC000119456383 655304380 /nfs/dbraw/zinc/30/43/80/655304380.db2.gz VQXSCINALSJHPR-ZDUSSCGKSA-N 0 0 385.482 2.718 10 0 GFAERN CO[C@]1(C(=O)Nc2ccc(Cl)cc2I)CCOC1 ZINC000277290350 655311441 /nfs/dbraw/zinc/31/14/41/655311441.db2.gz VGZJEGPSGGUWBL-GFCCVEGCSA-N 0 0 381.597 2.689 10 0 GFAERN O=Cc1ccc(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(Br)c1 ZINC000120067604 655326716 /nfs/dbraw/zinc/32/67/16/655326716.db2.gz BWWOMBOWKMTVCC-KSSFIOAISA-N 0 0 396.281 2.794 10 0 GFAERN COC(=O)N[C@@H](C(=O)NCc1cc2cc(Br)ccc2[nH]1)C(C)C ZINC000186544537 655370023 /nfs/dbraw/zinc/37/00/23/655370023.db2.gz FYAMVSHIBLECJI-CQSZACIVSA-N 0 0 382.258 2.927 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(F)c(C(F)(F)F)c1 ZINC000188103557 655378209 /nfs/dbraw/zinc/37/82/09/655378209.db2.gz PJHVUWHSQMXPSW-ZDUSSCGKSA-N 0 0 383.363 2.954 10 0 GFAERN Cc1nn(CCOC(=O)[C@@H]2CCCO[C@H]2C)c2ncc(Br)cc12 ZINC000192245806 655403959 /nfs/dbraw/zinc/40/39/59/655403959.db2.gz QPEGVLAQFBWJEM-WCQYABFASA-N 0 0 382.258 2.861 10 0 GFAERN CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000194355311 655415247 /nfs/dbraw/zinc/41/52/47/655415247.db2.gz ALNWDDCBVLJOCT-LBPRGKRZSA-N 0 0 376.425 2.643 10 0 GFAERN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3oc(Br)cc3n2C)C1 ZINC000223705635 655422466 /nfs/dbraw/zinc/42/24/66/655422466.db2.gz WURKEEVKONWVER-JTQLQIEISA-N 0 0 383.242 2.949 10 0 GFAERN CC(C)NC(=O)C1CCN(C(=O)c2cc3oc(Br)cc3n2C)CC1 ZINC000223702243 655422469 /nfs/dbraw/zinc/42/24/69/655422469.db2.gz NFRNFJDINPNBRP-UHFFFAOYSA-N 0 0 396.285 2.911 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC000702796709 655521916 /nfs/dbraw/zinc/52/19/16/655521916.db2.gz OHUIWFQLMCIJSW-GWCFXTLKSA-N 0 0 389.279 2.951 10 0 GFAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cnc(Br)c(Br)c1 ZINC000708340458 655522331 /nfs/dbraw/zinc/52/23/31/655522331.db2.gz ZZRUTQDEVSPEQR-OCAPTIKFSA-N 0 0 378.064 2.856 10 0 GFAERN C[C@@H](NC(=O)c1ccc(I)c(Cl)c1)c1cn(C)nn1 ZINC000720620706 655524522 /nfs/dbraw/zinc/52/45/22/655524522.db2.gz PAJHKCPLKYQVKN-SSDOTTSWSA-N 0 0 390.612 2.564 10 0 GFAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c[nH]nc1I ZINC000895568104 663519275 /nfs/dbraw/zinc/51/92/75/663519275.db2.gz KDHGDTJICNFPTP-RNFRBKRXSA-N 0 0 387.143 2.865 10 0 GFAERN NS(=O)(=O)c1ccc(SCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000900086150 663707980 /nfs/dbraw/zinc/70/79/80/663707980.db2.gz ZQJPTDDUCMUHJT-MNOVXSKESA-N 0 0 396.456 2.663 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC([C@H](F)C(N)=O)CC1 ZINC000913120043 664325391 /nfs/dbraw/zinc/32/53/91/664325391.db2.gz LFMOHYHBHISOQB-OTYXRUKQSA-N 0 0 377.243 2.823 10 0 GFAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000120408646 677396217 /nfs/dbraw/zinc/39/62/17/677396217.db2.gz QHSSXTSULNQNPL-SECBINFHSA-N 0 0 381.816 2.545 10 0 GFAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000120408513 677396233 /nfs/dbraw/zinc/39/62/33/677396233.db2.gz QHSSXTSULNQNPL-VIFPVBQESA-N 0 0 381.816 2.545 10 0 GFAERN Cc1sc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381197917 677406220 /nfs/dbraw/zinc/40/62/20/677406220.db2.gz NZJSPVKNSLOLAG-LBPRGKRZSA-N 0 0 382.507 2.554 10 0 GFAERN COc1cc2c(c3c1OCOC3)C[C@H]1c3c(cc4c(c3OC)OCO4)CCN1C2 ZINC000006017695 203792662 /nfs/dbraw/zinc/79/26/62/203792662.db2.gz QJZHAQOTBKWPGS-INIZCTEOSA-N 0 0 397.427 2.955 10 0 GFAERN CCc1nn(-c2ccccc2Cl)c(CC)c1C(=O)N1CCN(C(C)=O)CC1 ZINC000006771305 204203910 /nfs/dbraw/zinc/20/39/10/204203910.db2.gz RPMYYZRDSNBOIJ-UHFFFAOYSA-N 0 0 388.899 2.955 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008340472 204272938 /nfs/dbraw/zinc/27/29/38/204272938.db2.gz PFLRXGMROYVSTF-CYBMUJFWSA-N 0 0 395.381 2.766 10 0 GFAERN O=C(CN1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2)Nc1ccccc1 ZINC000009526834 204313419 /nfs/dbraw/zinc/31/34/19/204313419.db2.gz FZIBNEXALOVUMS-UHFFFAOYSA-N 0 0 396.878 2.690 10 0 GFAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000011999107 204365589 /nfs/dbraw/zinc/36/55/89/204365589.db2.gz GONFGHAAGOGDIT-AWEZNQCLSA-N 0 0 381.885 2.964 10 0 GFAERN O=C1CCCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC000012202689 204383097 /nfs/dbraw/zinc/38/30/97/204383097.db2.gz MQJBBPKHEWWQAV-UHFFFAOYSA-N 0 0 380.372 2.809 10 0 GFAERN Cc1cc(NC(=O)c2cc(N3C(=O)[C@H](C)CS3(=O)=O)ccc2Cl)ccn1 ZINC000012207329 204383692 /nfs/dbraw/zinc/38/36/92/204383692.db2.gz WLDAMOZDZIYXLW-SNVBAGLBSA-N 0 0 393.852 2.608 10 0 GFAERN COc1ccc2c(c1)[nH]c(CC=C(C)C)c2C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O ZINC000014824006 204543105 /nfs/dbraw/zinc/54/31/05/204543105.db2.gz XNRPVPHNDQHWLJ-PMACEKPBSA-N 0 0 381.476 2.717 10 0 in-vitro GFAERN O=C(NCCc1cn[nH]c1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000020867303 204741620 /nfs/dbraw/zinc/74/16/20/204741620.db2.gz BNRYXUSIHPYDDL-HNNXBMFYSA-N 0 0 394.397 2.526 10 0 GFAERN COc1cc2c(cc1OC)CN(C(=O)c1cn(Cc3ccccc3F)nn1)CC2 ZINC000012575498 204854012 /nfs/dbraw/zinc/85/40/12/204854012.db2.gz PNQCTQCOTYOWLT-UHFFFAOYSA-N 0 0 396.422 2.681 10 0 GFAERN O=C(c1sc(=S)n2c1[nH]c(=O)c1cc3c(cc12)OCO3)N1CCCC1 ZINC000033251522 204951307 /nfs/dbraw/zinc/95/13/07/204951307.db2.gz DJUZJHIJTJAUCT-UHFFFAOYSA-N 0 0 375.431 2.949 10 0 GFAERN COc1cc2nc(NCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC ZINC000033853878 204967839 /nfs/dbraw/zinc/96/78/39/204967839.db2.gz PDKUMHZLABSFTR-UHFFFAOYSA-N 0 0 395.463 2.803 10 0 GFAERN CC(=O)Nc1ccc(C2=NN(C(C)=O)[C@@H](C)Cc3cc4c(cc32)OCO4)cc1 ZINC000033893375 204967927 /nfs/dbraw/zinc/96/79/27/204967927.db2.gz RNJAHAXIBIIAHU-LBPRGKRZSA-N 0 0 379.416 2.919 10 0 GFAERN CN(Cc1ccccc1)S(=O)(=O)[C@@H]1CON(C)[C@@H]1c1ccnc2ccccc21 ZINC000034739574 204975541 /nfs/dbraw/zinc/97/55/41/204975541.db2.gz BVFSORKNXIZWFH-NHCUHLMSSA-N 0 0 397.500 2.983 10 0 GFAERN COC(=O)[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC[C@@H](O)C1 ZINC000039795861 205044263 /nfs/dbraw/zinc/04/42/63/205044263.db2.gz FZENGCHVMVPETO-PEBXRYMYSA-N 0 0 381.428 2.982 10 0 GFAERN CCOC(=O)[C@H](CC(C)C)N[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O ZINC000041104820 205077055 /nfs/dbraw/zinc/07/70/55/205077055.db2.gz NRRVVWXWMFPPSD-SJORKVTESA-N 0 0 391.512 2.597 10 0 GFAERN CC(C)Cc1cc(C(=O)NCc2nnc(C(=O)Nc3ccccc3)s2)no1 ZINC000064991138 205206260 /nfs/dbraw/zinc/20/62/60/205206260.db2.gz BIOMVEYSPQBDJP-UHFFFAOYSA-N 0 0 385.449 2.907 10 0 GFAERN Cc1cc(NC(=O)Cn2c(=O)cccc2-c2nc(-c3ccc(F)cc3)no2)no1 ZINC000065150287 205213079 /nfs/dbraw/zinc/21/30/79/205213079.db2.gz DKWICTDLTIAVIK-UHFFFAOYSA-N 0 0 395.350 2.640 10 0 GFAERN O=C(NCCc1ccccc1)[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000065259610 205224823 /nfs/dbraw/zinc/22/48/23/205224823.db2.gz YOQMXMDORZZTFK-IBGZPJMESA-N 0 0 390.549 2.720 10 0 GFAERN Cc1nc(Nc2ccc(Br)cn2)sc1C(=O)N1CCN(C)CC1 ZINC000065306331 205227925 /nfs/dbraw/zinc/22/79/25/205227925.db2.gz LPNHTJUVFMJUKC-UHFFFAOYSA-N 0 0 396.314 2.740 10 0 GFAERN C[C@](O)(CCCO)CNC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000067473446 205249261 /nfs/dbraw/zinc/24/92/61/205249261.db2.gz SLBMAWYQCSEZCW-SFHVURJKSA-N 0 0 393.896 2.970 10 0 GFAERN COc1ccc([C@H]2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)c(O)c1 ZINC000503983682 533201648 /nfs/dbraw/zinc/20/16/48/533201648.db2.gz HBMSDJPRMIJWFE-CYBMUJFWSA-N 0 0 376.361 2.839 10 0 GFAERN O=C(c1ccc(-n2nnc3cccnc32)cc1)N1CCN(c2ccccc2)CC1 ZINC000064896336 136158074 /nfs/dbraw/zinc/15/80/74/136158074.db2.gz INJLUSOBCIESMH-UHFFFAOYSA-N 0 0 384.443 2.778 10 0 GFAERN NC(=O)c1ccc(N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)nc1 ZINC000095509375 136180592 /nfs/dbraw/zinc/18/05/92/136180592.db2.gz GYMWRGVQKLSNTC-OAHLLOKOSA-N 0 0 384.455 2.633 10 0 GFAERN Cc1ccc(-c2nc(-c3ccccn3)cc(N3CC[NH+](CC(=O)[O-])CC3)n2)cc1 ZINC000073685445 525798266 /nfs/dbraw/zinc/79/82/66/525798266.db2.gz ZNDSLBTVQWJWBO-UHFFFAOYSA-N 0 0 389.459 2.721 10 0 GFAERN COc1ccc(-n2nc(N3CCC(C(=O)NCCC(C)C)CC3)ccc2=O)cc1 ZINC000064927156 536558197 /nfs/dbraw/zinc/55/81/97/536558197.db2.gz CJTLZOVXGLNHRT-UHFFFAOYSA-N 0 0 398.507 2.620 10 0 GFAERN CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000046597746 551151436 /nfs/dbraw/zinc/15/14/36/551151436.db2.gz NOPABWROKICGCZ-STQMWFEESA-N 0 0 386.949 2.704 10 0 GFAERN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)o1 ZINC000057465170 551180427 /nfs/dbraw/zinc/18/04/27/551180427.db2.gz LXGVQYQQBSPFBT-CYBMUJFWSA-N 0 0 382.507 2.854 10 0 GFAERN CC(C)[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(N)=O ZINC000115957796 551210868 /nfs/dbraw/zinc/21/08/68/551210868.db2.gz OMWKWRYQEFLAJI-INIZCTEOSA-N 0 0 382.869 2.921 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)cs1 ZINC000116351507 551212728 /nfs/dbraw/zinc/21/27/28/551212728.db2.gz FGUKHRVOIKMNGG-UHFFFAOYSA-N 0 0 383.514 2.796 10 0 GFAERN COCCN1CCN(C(=O)N[C@@H](C)c2ccccc2Br)C[C@H]1C ZINC000117470496 551213976 /nfs/dbraw/zinc/21/39/76/551213976.db2.gz UKTVJKJQHLEIJD-KGLIPLIRSA-N 0 0 384.318 2.872 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000121683604 551239964 /nfs/dbraw/zinc/23/99/64/551239964.db2.gz BZRXEMTZYDQGNT-GFCCVEGCSA-N 0 0 382.251 2.737 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000122228759 551295883 /nfs/dbraw/zinc/29/58/83/551295883.db2.gz BCNURIFVTRTONL-UHFFFAOYSA-N 0 0 397.298 2.504 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COc1ccccc1Br)CC2 ZINC000122497976 551298747 /nfs/dbraw/zinc/29/87/47/551298747.db2.gz XFFABESVLIOTNJ-GFCCVEGCSA-N 0 0 393.285 2.674 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)c2c(F)cc(Br)cc2F)n1 ZINC000122741338 551301570 /nfs/dbraw/zinc/30/15/70/551301570.db2.gz UEGOBUXJMPPROT-NSHDSACASA-N 0 0 388.168 2.632 10 0 GFAERN COC(=O)c1ccccc1CS(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000124374182 551314043 /nfs/dbraw/zinc/31/40/43/551314043.db2.gz BHTHHPXMMZRCIQ-OAHLLOKOSA-N 0 0 380.491 2.987 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(Br)cnc1Cl ZINC000125053351 551319284 /nfs/dbraw/zinc/31/92/84/551319284.db2.gz UZDXLNDQUSAWGH-LLVKDONJSA-N 0 0 396.676 2.686 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(Cl)cc(Br)c3)CCO2)[nH]1 ZINC000132872927 551380134 /nfs/dbraw/zinc/38/01/34/551380134.db2.gz VHUZPCLUEMKZMG-LBPRGKRZSA-N 0 0 385.649 2.743 10 0 GFAERN CCCCOCCN(C(=O)[C@H]1CNC(=O)C1)c1cccc(Br)c1 ZINC000135647483 551388475 /nfs/dbraw/zinc/38/84/75/551388475.db2.gz UFMYHXMMJYZUGV-CYBMUJFWSA-N 0 0 383.286 2.735 10 0 GFAERN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000135859825 551389255 /nfs/dbraw/zinc/38/92/55/551389255.db2.gz NIGCIBWJOMGSMO-BXUZGUMPSA-N 0 0 399.285 2.859 10 0 GFAERN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000135859798 551389285 /nfs/dbraw/zinc/38/92/85/551389285.db2.gz NIGCIBWJOMGSMO-SMDDNHRTSA-N 0 0 399.285 2.859 10 0 GFAERN C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1ccc(Cl)c(Cl)c1 ZINC000153271230 551449362 /nfs/dbraw/zinc/44/93/62/551449362.db2.gz ZRLJZGAAAJVFKG-MRVPVSSYSA-N 0 0 378.219 2.626 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc(Cl)c1 ZINC000153934875 551463572 /nfs/dbraw/zinc/46/35/72/551463572.db2.gz KXEUTKIAFBCXJG-JTQLQIEISA-N 0 0 391.873 2.922 10 0 GFAERN CC(C)[C@H](O)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000154209506 551469367 /nfs/dbraw/zinc/46/93/67/551469367.db2.gz SZSURPNNHDDSIP-CYBMUJFWSA-N 0 0 379.810 2.809 10 0 GFAERN C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)c1c(Cl)ccc(F)c1Cl ZINC000154449965 551475434 /nfs/dbraw/zinc/47/54/34/551475434.db2.gz LSOBLCSQEVPCNN-ZCFIWIBFSA-N 0 0 381.212 2.864 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1F)N1CCO[C@H]2CCCC[C@@H]21 ZINC000154516530 551477099 /nfs/dbraw/zinc/47/70/99/551477099.db2.gz NUNYUXCDZVZYQQ-STQMWFEESA-N 0 0 378.263 2.920 10 0 GFAERN CCOc1cc(Br)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000154932622 551486325 /nfs/dbraw/zinc/48/63/25/551486325.db2.gz HBTYKJQSQRFXIW-CYBMUJFWSA-N 0 0 384.274 2.932 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Cc1ccc(Br)cc1)CC2 ZINC000155166706 551493511 /nfs/dbraw/zinc/49/35/11/551493511.db2.gz DULXSIIYAWLHAN-WFASDCNBSA-N 0 0 391.313 2.913 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccncc3Br)C2)n1 ZINC000155201416 551494258 /nfs/dbraw/zinc/49/42/58/551494258.db2.gz CBMRJKOHLPQZRE-ZDUSSCGKSA-N 0 0 378.274 2.605 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(I)c(F)c1 ZINC000155554172 551502242 /nfs/dbraw/zinc/50/22/42/551502242.db2.gz QXKLCRMQIIZLMF-ZWNOBZJWSA-N 0 0 377.197 2.711 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155819448 551508694 /nfs/dbraw/zinc/50/86/94/551508694.db2.gz SAGHQONNUVMNPI-NOZJJQNGSA-N 0 0 389.677 2.708 10 0 GFAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000156256969 551518436 /nfs/dbraw/zinc/51/84/36/551518436.db2.gz IKDNXOAWMVWFDV-ZDUSSCGKSA-N 0 0 383.901 2.691 10 0 GFAERN C[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccccc1Br ZINC000156264580 551518958 /nfs/dbraw/zinc/51/89/58/551518958.db2.gz OMJPESPFSMEIFY-NSHDSACASA-N 0 0 389.315 2.729 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cc(F)ccc1Br ZINC000156498122 551523928 /nfs/dbraw/zinc/52/39/28/551523928.db2.gz GQTHKLDOVLRQHB-SECBINFHSA-N 0 0 396.278 2.939 10 0 GFAERN C[C@@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@@H]1CCCO1 ZINC000156831703 551528677 /nfs/dbraw/zinc/52/86/77/551528677.db2.gz ORBFPACONWVSHN-ABAIWWIYSA-N 0 0 389.265 2.660 10 0 GFAERN Cc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)cc1Br ZINC000157991493 551545716 /nfs/dbraw/zinc/54/57/16/551545716.db2.gz DFNQODXLMVGAQR-RHSMWYFYSA-N 0 0 381.314 2.859 10 0 GFAERN Cc1cnn([C@H]2CCCN(C(=O)c3cc(Br)c(C)[nH]c3=O)C2)c1 ZINC000163159587 551617376 /nfs/dbraw/zinc/61/73/76/551617376.db2.gz OPDBGJAVRRMOQM-LBPRGKRZSA-N 0 0 379.258 2.840 10 0 GFAERN C[C@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000164088824 551624319 /nfs/dbraw/zinc/62/43/19/551624319.db2.gz HNPNVXZQESNQNZ-KEYYUXOJSA-N 0 0 381.314 2.732 10 0 GFAERN C[C@H]1CN(C(=O)CCCc2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000164422970 551625583 /nfs/dbraw/zinc/62/55/83/551625583.db2.gz LNSZDLYSVWTJLP-YJBOKZPZSA-N 0 0 395.341 2.951 10 0 GFAERN C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CCCn2ncnc21 ZINC000164641720 551626436 /nfs/dbraw/zinc/62/64/36/551626436.db2.gz IEPLBTOCSJCVON-BXUZGUMPSA-N 0 0 378.274 2.882 10 0 GFAERN C[C@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CCS1 ZINC000170882338 551642420 /nfs/dbraw/zinc/64/24/20/551642420.db2.gz MIHLUKDYVZHFBL-YOEHRIQHSA-N 0 0 383.945 2.860 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000171053946 551645235 /nfs/dbraw/zinc/64/52/35/551645235.db2.gz LPILLZDECURARZ-LRDDRELGSA-N 0 0 376.503 2.633 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000171070732 551645799 /nfs/dbraw/zinc/64/57/99/551645799.db2.gz XTQBEWFUGWRBGN-IINYFYTJSA-N 0 0 391.320 2.919 10 0 GFAERN C[C@@H](NC(=O)NCCc1ccc(I)s1)[C@@H]1CCCO1 ZINC000171101230 551646748 /nfs/dbraw/zinc/64/67/48/551646748.db2.gz AWAMOQNCIKZOEE-KOLCDFICSA-N 0 0 394.278 2.762 10 0 GFAERN CN1CCO[C@H](CNC(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000171143910 551648339 /nfs/dbraw/zinc/64/83/39/551648339.db2.gz UIRJKAZKYLQFOR-MRXNPFEDSA-N 0 0 381.314 2.708 10 0 GFAERN CN(Cc1c(F)cccc1Cl)C(=O)CN1CCO[C@H](c2nccs2)C1 ZINC000171666872 551660373 /nfs/dbraw/zinc/66/03/73/551660373.db2.gz HXZHHUMSDGVFAH-HNNXBMFYSA-N 0 0 383.876 2.968 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)Nc2ncc(C)s2)CC1 ZINC000172046043 551669489 /nfs/dbraw/zinc/66/94/89/551669489.db2.gz POVFJKCGOQSSFQ-UHFFFAOYSA-N 0 0 382.921 2.751 10 0 GFAERN COCCN1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000172321913 551676097 /nfs/dbraw/zinc/67/60/97/551676097.db2.gz GMJSGTUNMZGFHZ-KGLIPLIRSA-N 0 0 384.318 2.872 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)NCc2cc(Br)ccc2OC)C1 ZINC000172572639 551682259 /nfs/dbraw/zinc/68/22/59/551682259.db2.gz OACRAVATBBEMHP-LLVKDONJSA-N 0 0 385.258 2.552 10 0 GFAERN O=C(COc1cc(Cl)cc(Cl)c1)N1CCCN(c2cccnn2)CC1 ZINC000173090713 551695574 /nfs/dbraw/zinc/69/55/74/551695574.db2.gz SVNNRHYCCCAKBO-UHFFFAOYSA-N 0 0 381.263 2.901 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3cc4cc(Br)ccc4o3)CCO2)[nH]1 ZINC000173092362 551695576 /nfs/dbraw/zinc/69/55/76/551695576.db2.gz LIFMRQBMBYFIMX-CQSZACIVSA-N 0 0 391.225 2.836 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3cc(Cl)ccc3Br)CCO2)[nH]1 ZINC000173089291 551695658 /nfs/dbraw/zinc/69/56/58/551695658.db2.gz PSIWWHBGZUADAG-GFCCVEGCSA-N 0 0 385.649 2.743 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3cc(Cl)cc(Cl)c3)CCO2)c1 ZINC000173354262 552083857 /nfs/dbraw/zinc/08/38/57/552083857.db2.gz SDRLWIYQUNMWKO-INIZCTEOSA-N 0 0 384.263 2.805 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)Nc3ccc(Br)cc3)CC2)no1 ZINC000174139075 552099952 /nfs/dbraw/zinc/09/99/52/552099952.db2.gz ZVUUEZUIEICOIX-UHFFFAOYSA-N 0 0 394.273 2.880 10 0 GFAERN O=C(Nc1cc(F)c(F)cc1I)N[C@H]1CCCC[C@H]1O ZINC000174430212 552103821 /nfs/dbraw/zinc/10/38/21/552103821.db2.gz WFLLGYLUFACEPD-CMPLNLGQSA-N 0 0 396.175 2.994 10 0 GFAERN CSCC[C@@H](NC(=O)CSc1n[nH]c(C)n1)c1nc2ccccc2[nH]1 ZINC000174686425 552108574 /nfs/dbraw/zinc/10/85/74/552108574.db2.gz OAYAQMKSONQJBF-CYBMUJFWSA-N 0 0 376.511 2.692 10 0 GFAERN Cc1cc(N2CCC[C@H](NC(=O)c3cccc(Cl)c3Cl)C2=O)n(C)n1 ZINC000175012998 552113579 /nfs/dbraw/zinc/11/35/79/552113579.db2.gz BOJXTMLKICAWRR-ZDUSSCGKSA-N 0 0 381.263 2.961 10 0 GFAERN Cc1cnn(CCNC(=O)NC[C@@H](C)Oc2ccccc2Br)c1 ZINC000175775636 552128934 /nfs/dbraw/zinc/12/89/34/552128934.db2.gz MWQONAQSBGPNGG-CYBMUJFWSA-N 0 0 381.274 2.721 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000176016601 552134329 /nfs/dbraw/zinc/13/43/29/552134329.db2.gz NNBMEIMCPRCOMX-CYBMUJFWSA-N 0 0 382.251 2.792 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1sccc1Br ZINC000176374305 552140026 /nfs/dbraw/zinc/14/00/26/552140026.db2.gz YQBDVHAQBUIBHX-SNVBAGLBSA-N 0 0 384.303 2.999 10 0 GFAERN CCc1nc(CC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)cs1 ZINC000176540837 552140733 /nfs/dbraw/zinc/14/07/33/552140733.db2.gz WLTPVHCTKHHCKG-HNNXBMFYSA-N 0 0 379.551 2.841 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000176532307 552140876 /nfs/dbraw/zinc/14/08/76/552140876.db2.gz CFXUTHCWNKLTGQ-AWEZNQCLSA-N 0 0 378.885 2.807 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)c2c(C)nn(C)c2Cl)N2CCOCC2)s1 ZINC000177971586 552161472 /nfs/dbraw/zinc/16/14/72/552161472.db2.gz HSZAUJKOLDGRRB-CYBMUJFWSA-N 0 0 382.917 2.555 10 0 GFAERN O=C(c1ccc(F)c(I)c1)N1CCN2CCCC[C@H]2C1 ZINC000178172690 552165801 /nfs/dbraw/zinc/16/58/01/552165801.db2.gz UKOBSUDYHGKDJO-LBPRGKRZSA-N 0 0 388.224 2.741 10 0 GFAERN CNC(=O)[C@H](NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1)C(C)C ZINC000178457281 552170677 /nfs/dbraw/zinc/17/06/77/552170677.db2.gz TXOHBDDSRXTNSI-OAHLLOKOSA-N 0 0 396.329 2.893 10 0 GFAERN CNC(=O)[C@H](NC(=O)Nc1cc(Br)ccc1N1CCCC1)C(C)C ZINC000178968756 552180624 /nfs/dbraw/zinc/18/06/24/552180624.db2.gz XKCRGYGGFWGEAI-OAHLLOKOSA-N 0 0 397.317 2.941 10 0 GFAERN Cc1cnc(CCN(C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000179047318 552182877 /nfs/dbraw/zinc/18/28/77/552182877.db2.gz WIYYMLYADOAMRV-ZDUSSCGKSA-N 0 0 381.523 2.800 10 0 GFAERN CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2CO)nnc1-c1cccs1 ZINC000179226309 552187814 /nfs/dbraw/zinc/18/78/14/552187814.db2.gz JIHJFXIRQMTSBV-OLZOCXBDSA-N 0 0 380.539 2.786 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@H](C)c2c(Cl)ccc(F)c2Cl)C1 ZINC000179540384 552196040 /nfs/dbraw/zinc/19/60/40/552196040.db2.gz GEQMOAOACNWTMF-ZYHUDNBSSA-N 0 0 390.286 2.910 10 0 GFAERN CCc1nnc(CSCc2nnnn2-c2ccccc2Br)n1C ZINC000179829080 552204187 /nfs/dbraw/zinc/20/41/87/552204187.db2.gz HHUPDNWYQYYWGA-UHFFFAOYSA-N 0 0 394.302 2.549 10 0 GFAERN COc1cc(NC(=O)NCCn2cc(C)cn2)cc(OC)c1Br ZINC000179925008 552207185 /nfs/dbraw/zinc/20/71/85/552207185.db2.gz SELCRJVOJFZSPX-UHFFFAOYSA-N 0 0 383.246 2.793 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180136690 552214174 /nfs/dbraw/zinc/21/41/74/552214174.db2.gz RQWFQRPRVYJXSM-GFCCVEGCSA-N 0 0 377.819 2.862 10 0 GFAERN O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@H](Cn2cncn2)C1 ZINC000180976732 552241943 /nfs/dbraw/zinc/24/19/43/552241943.db2.gz DUDVTDJEMLESEJ-LLVKDONJSA-N 0 0 375.281 2.686 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(Br)nc1C ZINC000181353918 552254188 /nfs/dbraw/zinc/25/41/88/552254188.db2.gz XZUFQXWPBPJSLT-LLVKDONJSA-N 0 0 395.261 2.547 10 0 GFAERN Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000181978979 552272121 /nfs/dbraw/zinc/27/21/21/552272121.db2.gz WCPIBYKMWWQZHP-MRXNPFEDSA-N 0 0 389.297 2.875 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cccc(Cl)c2)n1C ZINC000182388912 552282651 /nfs/dbraw/zinc/28/26/51/552282651.db2.gz VRYWYSYQKTZAQE-NSHDSACASA-N 0 0 384.889 2.534 10 0 GFAERN C[C@H]1CN(C(=O)CCc2cc(F)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000182484203 552285511 /nfs/dbraw/zinc/28/55/11/552285511.db2.gz QJTJGXSUKCUVGO-GUYCJALGSA-N 0 0 399.304 2.700 10 0 GFAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)cnc1Br ZINC000182668057 552289928 /nfs/dbraw/zinc/28/99/28/552289928.db2.gz FGXPCLJYYNQAFE-CYBMUJFWSA-N 0 0 390.237 2.731 10 0 GFAERN O=C(NC[C@@H]1CSCCS1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000183260809 552304462 /nfs/dbraw/zinc/30/44/62/552304462.db2.gz SONXAICMUILIND-KGLIPLIRSA-N 0 0 381.571 2.700 10 0 GFAERN COC(=O)c1sccc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000184180739 552329490 /nfs/dbraw/zinc/32/94/90/552329490.db2.gz MAXOCNRVMOPHRE-IUCAKERBSA-N 0 0 378.372 2.711 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2F)C12CCOCC2 ZINC000185148203 552355142 /nfs/dbraw/zinc/35/51/42/552355142.db2.gz PKWXLTRIPIZGFF-CABCVRRESA-N 0 0 377.865 2.732 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2cc(C)c(F)cc2F)C12CCOCC2 ZINC000185146729 552355155 /nfs/dbraw/zinc/35/51/55/552355155.db2.gz GDUIIASIBIVJRN-HOTGVXAUSA-N 0 0 375.437 2.526 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2c(F)cccc2Cl)C12CCOCC2 ZINC000185144630 552355180 /nfs/dbraw/zinc/35/51/80/552355180.db2.gz ZOAXIKLPNIVUHY-KBPBESRZSA-N 0 0 377.865 2.732 10 0 GFAERN COc1ccc(Br)cc1-c1nc(CN2C[C@H](O)C[C@@H]2CO)cs1 ZINC000185141794 552355347 /nfs/dbraw/zinc/35/53/47/552355347.db2.gz CRUGMETYZSKLDO-CHWSQXEVSA-N 0 0 399.310 2.509 10 0 GFAERN Cc1cc(Br)cc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000187517206 552417885 /nfs/dbraw/zinc/41/78/85/552417885.db2.gz IBSLSSDNFDODNN-CZUORRHYSA-N 0 0 382.302 2.942 10 0 GFAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3cc(C)c(Cl)s3)CCO2)cn1 ZINC000188202165 552439006 /nfs/dbraw/zinc/43/90/06/552439006.db2.gz GRCRQQAANAZOBP-LBPRGKRZSA-N 0 0 375.903 2.689 10 0 GFAERN CC(C)(C(=O)N1CC(NC(=O)C2CCC2)C1)c1cccc(Br)c1 ZINC000188494747 552446522 /nfs/dbraw/zinc/44/65/22/552446522.db2.gz RYIZQFUUQUJDRN-UHFFFAOYSA-N 0 0 379.298 2.854 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(Br)ncc1Cl)CC2 ZINC000188919257 552458372 /nfs/dbraw/zinc/45/83/72/552458372.db2.gz NRYBQUWFRJJCEO-VIFPVBQESA-N 0 0 398.692 2.957 10 0 GFAERN CCn1cc([C@@H]2CN(S(=O)(=O)/C=C/c3cccc(Cl)c3)CCO2)cn1 ZINC000189217490 552466009 /nfs/dbraw/zinc/46/60/09/552466009.db2.gz PGMHZLUAVUDALS-NADMHLTPSA-N 0 0 381.885 2.930 10 0 GFAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCc2cc(Br)ccc2C1 ZINC000189500685 552473013 /nfs/dbraw/zinc/47/30/13/552473013.db2.gz LMAWLECYVKMXBO-CQSZACIVSA-N 0 0 376.258 2.643 10 0 GFAERN CCOc1ccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Br ZINC000189491457 552473235 /nfs/dbraw/zinc/47/32/35/552473235.db2.gz CLUUMYZUIGTDIF-CQSZACIVSA-N 0 0 398.301 2.786 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)C2)no1 ZINC000189589824 552475372 /nfs/dbraw/zinc/47/53/72/552475372.db2.gz DWTOYHUSDDQYCM-LBPRGKRZSA-N 0 0 387.864 2.955 10 0 GFAERN O=C(Nc1ccccc1Br)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190132115 552488145 /nfs/dbraw/zinc/48/81/45/552488145.db2.gz PXWAJPDPYZRHMU-AWEZNQCLSA-N 0 0 377.242 2.865 10 0 GFAERN C[C@H]1CN(C(=O)c2nc(Br)ccc2Br)C[C@H](C)O1 ZINC000190213894 552490216 /nfs/dbraw/zinc/49/02/16/552490216.db2.gz LSUAKZMLMUPTMP-YUMQZZPRSA-N 0 0 378.064 2.856 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1scc(C)c1I ZINC000190267461 552491856 /nfs/dbraw/zinc/49/18/56/552491856.db2.gz MVJAJJJQMYBUIE-VIFPVBQESA-N 0 0 393.246 2.829 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Nc3ccc(Br)c(C)n3)CCO2)cn1 ZINC000190340589 552493356 /nfs/dbraw/zinc/49/33/56/552493356.db2.gz XCFZCWQCECOCOJ-AWEZNQCLSA-N 0 0 394.273 2.974 10 0 GFAERN Cc1cccc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1Br ZINC000190471649 552497618 /nfs/dbraw/zinc/49/76/18/552497618.db2.gz PQLXXIQOWOQMLS-GOEBONIOSA-N 0 0 396.329 2.620 10 0 GFAERN O=C(c1csc(Cl)c1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000191693264 552534659 /nfs/dbraw/zinc/53/46/59/552534659.db2.gz LJDFTJMEZNDJNN-HNNXBMFYSA-N 0 0 380.897 2.599 10 0 GFAERN CCCCOC[C@H](O)CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000193373910 552991727 /nfs/dbraw/zinc/99/17/27/552991727.db2.gz PRGPFHJOEWTAEB-CQSZACIVSA-N 0 0 389.323 2.929 10 0 GFAERN CC(C)Cc1nnc(NC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000194137122 553012594 /nfs/dbraw/zinc/01/25/94/553012594.db2.gz LBXOGWHZMIUERV-GFCCVEGCSA-N 0 0 380.495 2.777 10 0 GFAERN CCCCOC[C@@H](O)CN(C)CC(=O)Nc1ccc(Br)cc1C ZINC000195135546 553038435 /nfs/dbraw/zinc/03/84/35/553038435.db2.gz IPBSLMPEQMIJNQ-HNNXBMFYSA-N 0 0 387.318 2.805 10 0 GFAERN Cc1csc([C@H]2CN(CC(=O)N3CCSc4ccccc43)CCO2)n1 ZINC000195390902 553046703 /nfs/dbraw/zinc/04/67/03/553046703.db2.gz AOPJVKZDAQYOBI-OAHLLOKOSA-N 0 0 375.519 2.964 10 0 GFAERN NC(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000195393806 553047395 /nfs/dbraw/zinc/04/73/95/553047395.db2.gz OTBYPQNLSHOUNX-MRXNPFEDSA-N 0 0 389.249 2.762 10 0 GFAERN CC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(C)C ZINC000228464284 553064044 /nfs/dbraw/zinc/06/40/44/553064044.db2.gz UCZCQPSOVIZVEY-NSHDSACASA-N 0 0 397.722 2.914 10 0 GFAERN O=C(N[C@H]1COc2ccccc21)c1ccc(I)c(O)c1 ZINC000230891015 553065946 /nfs/dbraw/zinc/06/59/46/553065946.db2.gz ZSCHEQOKANSYJL-LBPRGKRZSA-N 0 0 381.169 2.860 10 0 GFAERN CC[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCN1C[C@H](C)O ZINC000245775252 553097093 /nfs/dbraw/zinc/09/70/93/553097093.db2.gz AJHOXSCPYKSRJO-GXTWGEPZSA-N 0 0 395.352 2.600 10 0 GFAERN O=S(=O)(c1cc(Br)c(F)cc1F)N1CCN2CCCC[C@H]2C1 ZINC000245855666 553098535 /nfs/dbraw/zinc/09/85/35/553098535.db2.gz OPNHKOMORIIPQA-JTQLQIEISA-N 0 0 395.269 2.586 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)c2ccc(Br)c(Cl)c2)C[C@H]1C ZINC000246014513 553100823 /nfs/dbraw/zinc/10/08/23/553100823.db2.gz LPGZWSGIBQRPJD-MNOVXSKESA-N 0 0 375.694 2.630 10 0 GFAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@H]1CCS(=O)(=O)C1 ZINC000246057278 553101353 /nfs/dbraw/zinc/10/13/53/553101353.db2.gz QVDLRLKGMNQMBX-XHVZSJERSA-N 0 0 377.293 2.583 10 0 GFAERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000247561575 553124129 /nfs/dbraw/zinc/12/41/29/553124129.db2.gz YZUDDNBQSTXWJU-SNVBAGLBSA-N 0 0 389.445 2.945 10 0 GFAERN Cc1cc(N2C[C@H](C(=O)N[C@@H](C)[C@H]3CCCO3)CC2=O)ccc1Br ZINC000248056353 553127032 /nfs/dbraw/zinc/12/70/32/553127032.db2.gz CACWWDIDCJVWSE-WOSRLPQWSA-N 0 0 395.297 2.794 10 0 GFAERN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000248447552 553129904 /nfs/dbraw/zinc/12/99/04/553129904.db2.gz NKUOTAQWTOLEHR-WBMJQRKESA-N 0 0 384.263 2.805 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(Cl)cc1 ZINC000253610934 553152191 /nfs/dbraw/zinc/15/21/91/553152191.db2.gz ZKACHKMBRYQCFQ-SECBINFHSA-N 0 0 379.825 2.734 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000262401494 553170487 /nfs/dbraw/zinc/17/04/87/553170487.db2.gz AUWXKDSNHZIRAO-NSHDSACASA-N 0 0 395.308 2.553 10 0 GFAERN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1CC(F)(F)CN1 ZINC000262957338 553179526 /nfs/dbraw/zinc/17/95/26/553179526.db2.gz KHWWPESLEFFNMI-KGLIPLIRSA-N 0 0 375.822 2.729 10 0 GFAERN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@@H]1CC(F)(F)CN1 ZINC000263283149 553185356 /nfs/dbraw/zinc/18/53/56/553185356.db2.gz UOBCXCKDNDOSIZ-ZFWWWQNUSA-N 0 0 375.822 2.557 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000263465665 553187910 /nfs/dbraw/zinc/18/79/10/553187910.db2.gz WPFJUTHTLSNUJG-UHFFFAOYSA-N 0 0 389.677 2.770 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(c2noc3ccc(Br)cc32)CC1 ZINC000263546109 553188893 /nfs/dbraw/zinc/18/88/93/553188893.db2.gz HAZHNUXCAXMEDZ-LBPRGKRZSA-N 0 0 382.258 2.966 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(CCOc2cccc(Br)c2)CC1 ZINC000263569115 553189550 /nfs/dbraw/zinc/18/95/50/553189550.db2.gz HIEVXVBPWDFBEH-HNNXBMFYSA-N 0 0 385.302 2.699 10 0 GFAERN CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)c1sccc1Br ZINC000328638486 563462287 /nfs/dbraw/zinc/46/22/87/563462287.db2.gz WLNVZLUENUCRMH-SNVBAGLBSA-N 0 0 390.328 2.590 10 0 GFAERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccccc1S(=O)(=O)C(F)(F)F)C2 ZINC000302065442 563419926 /nfs/dbraw/zinc/41/99/26/563419926.db2.gz ASASVRJLPBMHQT-ABAIWWIYSA-N 0 0 377.384 2.760 10 0 GFAERN CNc1nc(N2CCC(O)(Cc3cccc(F)c3)CC2)ncc1Br ZINC000302531383 563426075 /nfs/dbraw/zinc/42/60/75/563426075.db2.gz LHVXICOQLCFDBQ-UHFFFAOYSA-N 0 0 395.276 2.994 10 0 GFAERN O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1 ZINC000035508149 570379569 /nfs/dbraw/zinc/37/95/69/570379569.db2.gz ZFINIIYXUHLAST-MRXNPFEDSA-N 0 0 381.480 2.773 10 0 GFAERN COc1nc(NCCO)nc(Nc2ccc(-c3nc4ccccc4o3)cc2)n1 ZINC000003651778 570699664 /nfs/dbraw/zinc/69/96/64/570699664.db2.gz WISLMLPOVOPMPF-UHFFFAOYSA-N 0 0 378.392 2.836 10 0 GFAERN C[C@H](NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)[C@@H]1CCCO1 ZINC000027903446 654566376 /nfs/dbraw/zinc/56/63/76/654566376.db2.gz KECAUSPOJLLAHG-FZMZJTMJSA-N 0 0 379.507 2.612 10 0 GFAERN O=C(OC[C@@H]1CC1(Cl)Cl)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000030950090 654590563 /nfs/dbraw/zinc/59/05/63/654590563.db2.gz VDZMAOVSAWFZSU-AAEUAGOBSA-N 0 0 378.277 2.577 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000041181116 654623669 /nfs/dbraw/zinc/62/36/69/654623669.db2.gz NODCTFSZLAUUGA-LLVKDONJSA-N 0 0 380.853 2.559 10 0 GFAERN C[C@H](NC(=O)c1ccco1)C(=O)Oc1cccc(I)c1 ZINC000044672611 654662030 /nfs/dbraw/zinc/66/20/30/654662030.db2.gz HNSILBVYMPAYLU-VIFPVBQESA-N 0 0 385.157 2.608 10 0 GFAERN C[C@H](C(=O)NCc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O ZINC000045363819 654667573 /nfs/dbraw/zinc/66/75/73/654667573.db2.gz UVIKATQNZYXCAS-LLVKDONJSA-N 0 0 387.233 2.750 10 0 GFAERN CCN(C(=O)N[C@@H](C)c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000049789278 654716130 /nfs/dbraw/zinc/71/61/30/654716130.db2.gz MRCIMJSDHRWCHC-RYUDHWBXSA-N 0 0 389.315 2.729 10 0 GFAERN CN(C(=O)c1cccc(Br)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000121998117 654727581 /nfs/dbraw/zinc/72/75/81/654727581.db2.gz DLHIAUYPHNSBGV-OAHLLOKOSA-N 0 0 375.270 2.980 10 0 GFAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(C(C)(C)C)s3)CCO2)c1 ZINC000122012428 654728159 /nfs/dbraw/zinc/72/81/59/654728159.db2.gz URLWBVIDMGFOON-AWEZNQCLSA-N 0 0 383.539 2.640 10 0 GFAERN O=S(=O)(/C=C/c1ccccc1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000123161407 654752401 /nfs/dbraw/zinc/75/24/01/654752401.db2.gz CBTCVRPHHQNYRX-BJRSVTDJSA-N 0 0 383.535 2.809 10 0 GFAERN COCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000123489028 654757481 /nfs/dbraw/zinc/75/74/81/654757481.db2.gz MTCLCBREOQEROQ-JTQLQIEISA-N 0 0 385.251 2.652 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1)c1ccc(Cl)s1 ZINC000125429692 654794261 /nfs/dbraw/zinc/79/42/61/654794261.db2.gz OZGRSBMQWIDXIB-SNVBAGLBSA-N 0 0 375.841 2.798 10 0 GFAERN CN(C)c1ncc(Br)cc1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126214599 654810347 /nfs/dbraw/zinc/81/03/47/654810347.db2.gz GXMACOFZMRJYLB-UHFFFAOYSA-N 0 0 392.301 2.659 10 0 GFAERN Cc1cc(Cl)ccc1S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000128400847 654845825 /nfs/dbraw/zinc/84/58/25/654845825.db2.gz GNELTYMEIZRUSI-HNNXBMFYSA-N 0 0 380.901 2.728 10 0 GFAERN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000066058189 654893945 /nfs/dbraw/zinc/89/39/45/654893945.db2.gz YJVBRMCRILABMG-XYZCENFISA-N 0 0 384.263 2.891 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3cc(Br)ccc3F)CCO2)c1 ZINC000132466906 654938688 /nfs/dbraw/zinc/93/86/88/654938688.db2.gz SOGKOHXKPPXPRM-OAHLLOKOSA-N 0 0 396.260 2.563 10 0 GFAERN Cc1cc(Cl)ccc1OC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000067771832 654945208 /nfs/dbraw/zinc/94/52/08/654945208.db2.gz FGILXUUQKWYNCF-LLVKDONJSA-N 0 0 378.837 2.681 10 0 GFAERN CCOC(=O)[C@@H](NCCn1cc(C)cn1)c1ccc(Br)cc1F ZINC000132975002 654950774 /nfs/dbraw/zinc/95/07/74/654950774.db2.gz KHWKUOPTSBBFDK-HNNXBMFYSA-N 0 0 384.249 2.987 10 0 GFAERN C[C@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccc(F)c(Cl)c1 ZINC000069083881 654972580 /nfs/dbraw/zinc/97/25/80/654972580.db2.gz OBSXWACTEDTOOB-NSHDSACASA-N 0 0 391.896 2.559 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)[C@H]3COc4ccc(Br)cc43)C2)cn1 ZINC000134994002 655007129 /nfs/dbraw/zinc/00/71/29/655007129.db2.gz QXGBAWWGHATJLJ-NHYWBVRUSA-N 0 0 376.254 2.675 10 0 GFAERN CNC(=O)[C@H]1CCCN1Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000092097732 655011835 /nfs/dbraw/zinc/01/18/35/655011835.db2.gz SXWFCBDDNAUICP-QGZVFWFLSA-N 0 0 391.313 2.962 10 0 GFAERN C[C@@H](O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000136281580 655029265 /nfs/dbraw/zinc/02/92/65/655029265.db2.gz JWLOTJCBQOEXNA-DGCLKSJQSA-N 0 0 385.291 2.966 10 0 GFAERN COC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1Br)C(C)(C)C ZINC000097588815 655036407 /nfs/dbraw/zinc/03/64/07/655036407.db2.gz DQJANFBRKDLMQJ-LBPRGKRZSA-N 0 0 378.288 2.624 10 0 GFAERN Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000152008112 655055920 /nfs/dbraw/zinc/05/59/20/655055920.db2.gz JDYOTRRKRXQYFS-HIFRSBDPSA-N 0 0 378.270 2.977 10 0 GFAERN Cc1cnn([C@H]2CCCN(Cn3nnn(Cc4cccs4)c3=S)C2)c1 ZINC000152905029 655062657 /nfs/dbraw/zinc/06/26/57/655062657.db2.gz OWMLOFBIWKJQAT-AWEZNQCLSA-N 0 0 375.527 2.718 10 0 GFAERN C[C@H](CNC(=O)NC1(c2cccc(Br)c2)CCC1)N1CCOCC1 ZINC000103304986 655070804 /nfs/dbraw/zinc/07/08/04/655070804.db2.gz ASUVAWOVDKIIOI-CQSZACIVSA-N 0 0 396.329 2.848 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1nc(Cl)ccc1Cl ZINC000103819984 655076416 /nfs/dbraw/zinc/07/64/16/655076416.db2.gz VLSVDLXJHUIZIH-GFCCVEGCSA-N 0 0 381.281 2.636 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2sccc2OC)CC1 ZINC000106024806 655101009 /nfs/dbraw/zinc/10/10/09/655101009.db2.gz KHUYKFUQIBHXLE-UHFFFAOYSA-N 0 0 382.917 2.664 10 0 GFAERN Cc1csc([C@H]2CN(Cn3nc(N(C)C)n(C(C)C)c3=S)CCO2)n1 ZINC000171600947 655152648 /nfs/dbraw/zinc/15/26/48/655152648.db2.gz UBLOEOYUIOXUSJ-CYBMUJFWSA-N 0 0 382.559 2.857 10 0 GFAERN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111082483 655164231 /nfs/dbraw/zinc/16/42/31/655164231.db2.gz VAFXNIPPPOKMTL-AWEZNQCLSA-N 0 0 389.253 2.668 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3Cl)CCO2)n1 ZINC000111345152 655169379 /nfs/dbraw/zinc/16/93/79/655169379.db2.gz NYOWADKBMGBGCY-HNNXBMFYSA-N 0 0 383.901 2.551 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCO[C@H](c3nccs3)C2)c2cccnc12 ZINC000111344201 655169434 /nfs/dbraw/zinc/16/94/34/655169434.db2.gz DUPVAGXJCATUAF-AWEZNQCLSA-N 0 0 375.475 2.762 10 0 GFAERN C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)C[C@H]1N1CCOCC1 ZINC000173406432 655170436 /nfs/dbraw/zinc/17/04/36/655170436.db2.gz WRHAUSXOTLAABF-SWLSCSKDSA-N 0 0 393.281 2.988 10 0 GFAERN O=C(CNC(=O)N1CCO[C@H](c2nccs2)C1)Nc1ccc(Cl)cc1 ZINC000111837636 655177954 /nfs/dbraw/zinc/17/79/54/655177954.db2.gz NJNZXKIBOLIGMD-ZDUSSCGKSA-N 0 0 380.857 2.518 10 0 GFAERN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CC[C@H](N2CCOCC2)C1 ZINC000173793309 655181488 /nfs/dbraw/zinc/18/14/88/655181488.db2.gz XYFJPFMEUYMPGP-GOEBONIOSA-N 0 0 381.929 2.993 10 0 GFAERN C[C@H](NC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccc(F)c(Cl)c1 ZINC000173963578 655187468 /nfs/dbraw/zinc/18/74/68/655187468.db2.gz VVTVIYVKAYHDDM-JTQLQIEISA-N 0 0 388.852 2.603 10 0 GFAERN O=C(N[C@H]1COc2ccccc21)C(=O)N1CCc2ccc(Br)cc21 ZINC000112473686 655191551 /nfs/dbraw/zinc/19/15/51/655191551.db2.gz DEYCCMUQPOSKGC-AWEZNQCLSA-N 0 0 387.233 2.588 10 0 GFAERN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@H]1CCc2ncnn2C1 ZINC000112652403 655194385 /nfs/dbraw/zinc/19/43/85/655194385.db2.gz CRQCMPOBEYFEBH-VIFPVBQESA-N 0 0 379.898 2.790 10 0 GFAERN Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112653739 655194508 /nfs/dbraw/zinc/19/45/08/655194508.db2.gz UOZNDVINBXXSKQ-LLVKDONJSA-N 0 0 375.226 2.840 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)NCCc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000175293806 655218400 /nfs/dbraw/zinc/21/84/00/655218400.db2.gz ASEUNTMSRLHOLA-CQSZACIVSA-N 0 0 384.267 2.746 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCOc1ccc(Br)cc1 ZINC000175726252 655226169 /nfs/dbraw/zinc/22/61/69/655226169.db2.gz UMNMHCSYCUFCJC-CQSZACIVSA-N 0 0 394.273 2.562 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1ccccc1Br)CC2 ZINC000114865404 655229758 /nfs/dbraw/zinc/22/97/58/655229758.db2.gz XDPDSNPETSRDMW-CYBMUJFWSA-N 0 0 377.286 2.667 10 0 GFAERN Cc1cccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1I ZINC000116113933 655243964 /nfs/dbraw/zinc/24/39/64/655243964.db2.gz SYZTVRDGUWPRFF-LBPRGKRZSA-N 0 0 395.244 2.963 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)c3ccc(I)cc3)C2)cn1 ZINC000116121838 655244221 /nfs/dbraw/zinc/24/42/21/655244221.db2.gz QVGRHPDGAGVXNC-LBPRGKRZSA-N 0 0 381.217 2.654 10 0 GFAERN CCc1nc(CC(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)cs1 ZINC000176601515 655250791 /nfs/dbraw/zinc/25/07/91/655250791.db2.gz OZOGGKDWHWGXHL-HIFRSBDPSA-N 0 0 379.551 2.888 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc(Br)ccc3O)C2)n1 ZINC000116977610 655258232 /nfs/dbraw/zinc/25/82/32/655258232.db2.gz QCTNWEUDWOJCQP-CYBMUJFWSA-N 0 0 393.285 2.915 10 0 GFAERN Cc1cnn(CCNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC000118074892 655271630 /nfs/dbraw/zinc/27/16/30/655271630.db2.gz MNPBMOPERDUWQZ-AWEZNQCLSA-N 0 0 392.301 2.532 10 0 GFAERN O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177519405 655279227 /nfs/dbraw/zinc/27/92/27/655279227.db2.gz HJZIRAMBTGKTBD-GFCCVEGCSA-N 0 0 386.260 2.989 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000177641160 655284560 /nfs/dbraw/zinc/28/45/60/655284560.db2.gz IWCPDCDJGMOWSL-SNVBAGLBSA-N 0 0 397.269 2.598 10 0 GFAERN Cc1ccc([C@H](CNC(=O)NCCSC(F)(F)F)N2CCOCC2)s1 ZINC000178574719 655304911 /nfs/dbraw/zinc/30/49/11/655304911.db2.gz COFXAFODAJUJTR-LBPRGKRZSA-N 0 0 397.488 2.982 10 0 GFAERN CN(C(=O)Nc1cccnc1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000119710808 655312111 /nfs/dbraw/zinc/31/21/11/655312111.db2.gz HGWWTTUKKWJYEZ-GFCCVEGCSA-N 0 0 391.273 2.767 10 0 GFAERN C[C@@H](NC(=O)c1cccc(Br)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000119866031 655318904 /nfs/dbraw/zinc/31/89/04/655318904.db2.gz YYFLKCQDTNFWFL-SNVBAGLBSA-N 0 0 383.267 2.739 10 0 GFAERN C[C@H](NC(=O)NC[C@@H]1COC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000180308554 655325223 /nfs/dbraw/zinc/32/52/23/655325223.db2.gz JZGXGEAHPAMYGH-SWLSCSKDSA-N 0 0 399.285 2.731 10 0 GFAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000180764002 655330017 /nfs/dbraw/zinc/33/00/17/655330017.db2.gz AYGRMSOCYLXRHQ-HZMBPMFUSA-N 0 0 390.299 2.540 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1nc(C2CC2)cs1 ZINC000180932679 655331297 /nfs/dbraw/zinc/33/12/97/655331297.db2.gz OFBQYFLNWGBMMC-SNVBAGLBSA-N 0 0 384.454 2.570 10 0 GFAERN CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 ZINC000194355429 655415282 /nfs/dbraw/zinc/41/52/82/655415282.db2.gz SJRFQXOMOBGOQH-NSHDSACASA-N 0 0 376.425 2.643 10 0 GFAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1nc(Br)ccc1O ZINC000194573446 655416298 /nfs/dbraw/zinc/41/62/98/655416298.db2.gz DNUDHUFKJHSBCN-VIFPVBQESA-N 0 0 379.214 2.698 10 0 GFAERN CC(=O)N(c1nn(CN2CC[C@]3(O)CCCC[C@H]3C2)c(=S)s1)C1CC1 ZINC000247007851 655431002 /nfs/dbraw/zinc/43/10/02/655431002.db2.gz LBBLNZALBGMEFZ-SUMWQHHRSA-N 0 0 382.555 2.774 10 0 GFAERN Cc1ccc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c(Br)c1 ZINC000262256683 655444822 /nfs/dbraw/zinc/44/48/22/655444822.db2.gz FIXDJVITNSBURB-UHFFFAOYSA-N 0 0 395.297 2.815 10 0 GFAERN NS(=O)(=O)c1ccc(SCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000900086149 663707999 /nfs/dbraw/zinc/70/79/99/663707999.db2.gz ZQJPTDDUCMUHJT-GHMZBOCLSA-N 0 0 396.456 2.663 10 0 GFAERN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2ccccc2C1 ZINC000003959070 204022153 /nfs/dbraw/zinc/02/21/53/204022153.db2.gz HFRBMVLRESIWRX-KRWDZBQOSA-N 0 0 378.519 2.636 10 0 GFAERN O=S(=O)(NC[C@H]1CCCN(Cc2ccncc2)C1)c1cccc2cccnc21 ZINC000011874502 204358588 /nfs/dbraw/zinc/35/85/88/204358588.db2.gz PNGHWEKBIQHXTL-GOSISDBHSA-N 0 0 396.516 2.820 10 0 GFAERN CCOC(=O)[C@@H]1CCCCN1C(=O)CCc1nnc(-c2cc(C)oc2C)o1 ZINC000012075205 204808936 /nfs/dbraw/zinc/80/89/36/204808936.db2.gz NJCHKJFOXFSPOP-HNNXBMFYSA-N 0 0 375.425 2.823 10 0 GFAERN O=C(c1ccc(F)cc1)N1CCN([C@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036255756 205009169 /nfs/dbraw/zinc/00/91/69/205009169.db2.gz NAAJIIXWBIHRSM-FQEVSTJZSA-N 0 0 387.499 2.765 10 0 GFAERN O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O)c1ccccc1 ZINC000077263027 205035197 /nfs/dbraw/zinc/03/51/97/205035197.db2.gz YUTKLDJMWQZDNG-HFSMHLIXSA-N 0 0 393.443 2.618 10 0 GFAERN COC(=O)[C@@H]1C[C@H](NC(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000039941367 205044727 /nfs/dbraw/zinc/04/47/27/205044727.db2.gz OLFDAPMHCCZBLA-CVEARBPZSA-N 0 0 392.452 2.854 10 0 GFAERN CC(=O)Oc1cccc(/C=c2/sc3nc(/C=C/c4cccs4)nn3c2=O)c1 ZINC000039835574 205044824 /nfs/dbraw/zinc/04/48/24/205044824.db2.gz UTRSSFOCRVCZEE-LLDULDGKSA-N 0 0 395.465 2.856 10 0 GFAERN Cc1ccc(S(=O)(=O)NN=c2nc[nH]c(Nc3ccc(F)cc3)c2N)cc1 ZINC000040782480 205073268 /nfs/dbraw/zinc/07/32/68/205073268.db2.gz YVNJLTDJYBTGKU-UHFFFAOYSA-N 0 0 388.428 2.555 10 0 GFAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)N1CCCCCCC1 ZINC000055133561 205143395 /nfs/dbraw/zinc/14/33/95/205143395.db2.gz GYIFPMTXALIACC-GOSISDBHSA-N 0 0 395.906 2.962 10 0 GFAERN O=C(NC1CC1)c1ccc(OC[C@H]2CCCN(C(=O)c3ccccn3)C2)cc1 ZINC000065179431 205215245 /nfs/dbraw/zinc/21/52/45/205215245.db2.gz OKHWWSJYOFXILG-INIZCTEOSA-N 0 0 379.460 2.905 10 0 GFAERN O=C(CSc1ccc(-n2nccc2-c2ccccc2)nn1)NC[C@@H]1CCCO1 ZINC000064755313 205194032 /nfs/dbraw/zinc/19/40/32/205194032.db2.gz MVULKOSBFSEVPT-INIZCTEOSA-N 0 0 395.488 2.717 10 0 GFAERN CCn1c(=O)c2snc(-c3ccccn3)c2n(Cc2cccc(OC)c2)c1=O ZINC000065233133 205221130 /nfs/dbraw/zinc/22/11/30/205221130.db2.gz MPXIHOTZXXUFAL-UHFFFAOYSA-N 0 0 394.456 2.759 10 0 GFAERN CO[C@H]1CCCN(C(=O)c2ccc3c(c2)CN(CCc2ccncc2)C3=O)C1 ZINC000072428695 205351514 /nfs/dbraw/zinc/35/15/14/205351514.db2.gz IGQXOEBSIORQJH-IBGZPJMESA-N 0 0 379.460 2.531 10 0 GFAERN CN1CCC[C@@]2(CCN(c3cc(-c4ccccc4F)nc4ccnn43)C2)C1=O ZINC000072463283 205352902 /nfs/dbraw/zinc/35/29/02/205352902.db2.gz AJNJDYWWGCRCHY-NRFANRHFSA-N 0 0 379.439 2.984 10 0 GFAERN Cc1cnc(S(=O)(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)nc1Cl ZINC000095089655 205439017 /nfs/dbraw/zinc/43/90/17/205439017.db2.gz ASKPJPQGRVAPKO-NSHDSACASA-N 0 0 375.878 2.612 10 0 GFAERN Ic1ccnc(I)c1OC1CC1 ZINC000095734517 205504718 /nfs/dbraw/zinc/50/47/18/205504718.db2.gz JHJWSHCUDPLMTB-UHFFFAOYSA-N 0 0 386.958 2.832 10 0 GFAERN O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000224202925 206016071 /nfs/dbraw/zinc/01/60/71/206016071.db2.gz LTCKOCVNTRVORU-UHFFFAOYSA-N 0 0 387.292 2.862 10 0 GFAERN Cc1cc(C)n(Cc2ccc(C(=O)Nc3nc(C)c(C(=O)N(C)C)s3)o2)n1 ZINC000028227796 206035526 /nfs/dbraw/zinc/03/55/26/206035526.db2.gz NBLZNVIXAKFHMG-UHFFFAOYSA-N 0 0 387.465 2.860 10 0 GFAERN C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1cc(Br)cn1 ZINC000028304925 206041206 /nfs/dbraw/zinc/04/12/06/206041206.db2.gz IXWREPYUUCRPQH-GFCCVEGCSA-N 0 0 381.249 2.695 10 0 GFAERN COc1ccc(C(=O)NC[C@H]2Cn3cc(-c4ccc(OC)cc4)nc3CO2)cc1 ZINC000096112850 206117830 /nfs/dbraw/zinc/11/78/30/206117830.db2.gz ZPCODXWAVROCSI-IBGZPJMESA-N 0 0 393.443 2.896 10 0 GFAERN Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)CC(C)C)s1)[C@@H](C)C2 ZINC000041085464 206195584 /nfs/dbraw/zinc/19/55/84/206195584.db2.gz QWGSVTGNOXOUSI-LBPRGKRZSA-N 0 0 394.522 2.971 10 0 GFAERN COc1cc(OC)cc(C(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c1 ZINC000224355271 136206794 /nfs/dbraw/zinc/20/67/94/136206794.db2.gz RKZORTPXCIHOLJ-UHFFFAOYSA-N 0 0 385.468 2.802 10 0 GFAERN C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)CN1CCOCC1 ZINC000041536110 551135663 /nfs/dbraw/zinc/13/56/63/551135663.db2.gz INIXMQZDAXAQGM-CHWSQXEVSA-N 0 0 375.296 2.845 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)c(Br)c1 ZINC000060731880 551183954 /nfs/dbraw/zinc/18/39/54/551183954.db2.gz UQHNWOYIWJQQBG-CQSZACIVSA-N 0 0 375.222 2.946 10 0 GFAERN CC(=O)N[C@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000067377456 551188159 /nfs/dbraw/zinc/18/81/59/551188159.db2.gz WTFAGYRRVMFBAF-HNNXBMFYSA-N 0 0 393.285 2.523 10 0 GFAERN Brc1ccccc1OCCN1CCCN(c2cccnn2)CC1 ZINC000093790002 551195994 /nfs/dbraw/zinc/19/59/94/551195994.db2.gz HQHHLYUXLRITIY-UHFFFAOYSA-N 0 0 377.286 2.830 10 0 GFAERN COC[C@H](C)C(=O)Nc1cc(Br)ccc1Sc1nncn1C ZINC000104362889 551198615 /nfs/dbraw/zinc/19/86/15/551198615.db2.gz RYDNWKZLHUYWNO-VIFPVBQESA-N 0 0 385.287 2.950 10 0 GFAERN COC(=O)CSCCNC(=O)N[C@H](C)c1ccccc1Br ZINC000105645817 551199513 /nfs/dbraw/zinc/19/95/13/551199513.db2.gz AXCTYFCAXFEPOI-SNVBAGLBSA-N 0 0 375.288 2.716 10 0 GFAERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c2ccc(Br)cc2n1 ZINC000112648770 551206733 /nfs/dbraw/zinc/20/67/33/551206733.db2.gz BPMJWROVSUNZNE-GFCCVEGCSA-N 0 0 386.253 2.642 10 0 GFAERN CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1Br ZINC000113580119 551208023 /nfs/dbraw/zinc/20/80/23/551208023.db2.gz JDGUTZFZPKMUQH-QWRGUYRKSA-N 0 0 377.304 2.633 10 0 GFAERN O=C(NCCNS(=O)(=O)c1cccs1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000120331027 551219387 /nfs/dbraw/zinc/21/93/87/551219387.db2.gz UAEIDGSWSGAYMY-CQSZACIVSA-N 0 0 399.925 2.667 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)CCc2cc(F)ccc2Br)n1 ZINC000121153498 551228327 /nfs/dbraw/zinc/22/83/27/551228327.db2.gz KNOQLFZICXUOSB-CQSZACIVSA-N 0 0 398.232 2.812 10 0 GFAERN O=C(Nc1ccccc1Br)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123385759 551306078 /nfs/dbraw/zinc/30/60/78/551306078.db2.gz OSUHCNBUOYFPGM-PXAZEXFGSA-N 0 0 381.270 2.541 10 0 GFAERN C[C@H](C(=O)N(C)CC(F)(F)F)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000124442240 551314796 /nfs/dbraw/zinc/31/47/96/551314796.db2.gz RJIIWGOMYRWTMM-ZCFIWIBFSA-N 0 0 383.153 2.999 10 0 GFAERN Cn1nccc1C1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000124659810 551316173 /nfs/dbraw/zinc/31/61/73/551316173.db2.gz JSQRYCNPXDPHOO-UHFFFAOYSA-N 0 0 378.270 2.968 10 0 GFAERN CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000124693565 551316506 /nfs/dbraw/zinc/31/65/06/551316506.db2.gz HYHFYJNFKKRROA-ZDUSSCGKSA-N 0 0 380.432 2.673 10 0 GFAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC[C@H]2CCCS2)cc1 ZINC000130112573 551362422 /nfs/dbraw/zinc/36/24/22/551362422.db2.gz CIEWXTGDEFYUSZ-NVXWUHKLSA-N 0 0 384.567 2.700 10 0 GFAERN CCN(CC)C(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000130924050 551370601 /nfs/dbraw/zinc/37/06/01/551370601.db2.gz ZJTMQBRNYIXQOA-UHFFFAOYSA-N 0 0 379.258 2.501 10 0 GFAERN CC(C)n1ccnc1C[S@@](=O)CC(=O)NCCOc1cccc(Cl)c1 ZINC000131252888 551373576 /nfs/dbraw/zinc/37/35/76/551373576.db2.gz GWZNSQWPZBRXQS-VWLOTQADSA-N 0 0 383.901 2.561 10 0 GFAERN C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1Cl ZINC000132778817 551378903 /nfs/dbraw/zinc/37/89/03/551378903.db2.gz RSSKEKONKKNFQQ-SNVBAGLBSA-N 0 0 385.848 2.687 10 0 GFAERN COc1cc(Br)ccc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135309349 551387420 /nfs/dbraw/zinc/38/74/20/551387420.db2.gz KVJTYEZXECSJHV-ZDUSSCGKSA-N 0 0 391.269 2.647 10 0 GFAERN O=C(Cc1cccc(I)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151446109 551413782 /nfs/dbraw/zinc/41/37/82/551413782.db2.gz VAGKIIIUQTXQSV-WMLDXEAASA-N 0 0 399.272 2.987 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000152287091 551429979 /nfs/dbraw/zinc/42/99/79/551429979.db2.gz LHXMTXGWENFUFX-LLVKDONJSA-N 0 0 379.254 2.885 10 0 GFAERN CCOc1cc(CN2CCC[C@H](NC(C)=O)C2)cc(Br)c1OC ZINC000153886269 551462667 /nfs/dbraw/zinc/46/26/67/551462667.db2.gz NPKQOHQRGOYGQS-AWEZNQCLSA-N 0 0 385.302 2.957 10 0 GFAERN CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1ccccc1Br)C(=O)OC ZINC000155042901 551489687 /nfs/dbraw/zinc/48/96/87/551489687.db2.gz FUSBIFMXCXDFGB-MQIPJXDCSA-N 0 0 385.302 2.804 10 0 GFAERN Cc1csc([C@@H]2CN(CCCS(=O)(=O)c3cccc(C)c3)CCO2)n1 ZINC000155146585 551492706 /nfs/dbraw/zinc/49/27/06/551492706.db2.gz VLIVNUZZKQPMFB-KRWDZBQOSA-N 0 0 380.535 2.997 10 0 GFAERN O=C(c1c[nH]c2cccc(Br)c21)N1CCO[C@H](Cn2cccn2)C1 ZINC000155177873 551493485 /nfs/dbraw/zinc/49/34/85/551493485.db2.gz ZUUWODIWJWVQQW-LBPRGKRZSA-N 0 0 389.253 2.668 10 0 GFAERN COc1ccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cc1Br ZINC000155203107 551494056 /nfs/dbraw/zinc/49/40/56/551494056.db2.gz TWDCHNXNRIRVQV-HNNXBMFYSA-N 0 0 380.286 2.864 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)CSc2nc3ccccc3s2)n1 ZINC000155425563 551499477 /nfs/dbraw/zinc/49/94/77/551499477.db2.gz AMNSPYBIDNEHHK-LBPRGKRZSA-N 0 0 376.463 2.680 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)Cc2csc(-c3cccs3)n2)n1 ZINC000155429107 551499492 /nfs/dbraw/zinc/49/94/92/551499492.db2.gz RJLHGYXTRACSGQ-LBPRGKRZSA-N 0 0 376.463 2.706 10 0 GFAERN CCOC(=O)Cc1nnc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000155534332 551501771 /nfs/dbraw/zinc/50/17/71/551501771.db2.gz DLSMTPZXBMHUIM-DTWKUNHWSA-N 0 0 380.392 2.886 10 0 GFAERN C[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CCS1 ZINC000156564667 551524927 /nfs/dbraw/zinc/52/49/27/551524927.db2.gz OVJOHRWQDXYDJE-XOKHGSTOSA-N 0 0 383.945 2.859 10 0 GFAERN COc1ccc(C(=O)N2[C@H](C)COC[C@H]2C)c(I)c1 ZINC000157438189 551538069 /nfs/dbraw/zinc/53/80/69/551538069.db2.gz RCAXFRLGZDBDFM-NXEZZACHSA-N 0 0 375.206 2.549 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nccc2sccc21 ZINC000159007847 551559859 /nfs/dbraw/zinc/55/98/59/551559859.db2.gz YAFPOTFZHKFFME-JTQLQIEISA-N 0 0 379.438 2.741 10 0 GFAERN CC(C)[C@@H](O)CC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000162800944 551613173 /nfs/dbraw/zinc/61/31/73/551613173.db2.gz JLARLKCBZHUCHF-INIZCTEOSA-N 0 0 387.293 2.639 10 0 GFAERN Cc1cnn(CCNC(=O)Nc2cnn(-c3ccccc3Br)c2)c1 ZINC000165080517 551628165 /nfs/dbraw/zinc/62/81/65/551628165.db2.gz FLQKLNBRGAAMMU-UHFFFAOYSA-N 0 0 389.257 2.961 10 0 GFAERN COC[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000167843761 551633463 /nfs/dbraw/zinc/63/34/63/551633463.db2.gz SOCBMNPDTQQZDI-WFASDCNBSA-N 0 0 383.286 2.652 10 0 GFAERN Brc1cc(CN2CCC[C@H](Cn3cncn3)C2)cc2c1OCO2 ZINC000171503953 551657051 /nfs/dbraw/zinc/65/70/51/551657051.db2.gz DBXBJVOFQLFDRE-LBPRGKRZSA-N 0 0 379.258 2.682 10 0 GFAERN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCS[C@@H](C)C1 ZINC000171574274 551658501 /nfs/dbraw/zinc/65/85/01/551658501.db2.gz KHODTPACSYEPBH-WFASDCNBSA-N 0 0 382.913 2.917 10 0 GFAERN C[C@H]1CN(C(=O)COc2ccc(I)cc2)CCS1 ZINC000171581942 551658658 /nfs/dbraw/zinc/65/86/58/551658658.db2.gz OWDOHNOPRWGHPG-JTQLQIEISA-N 0 0 377.247 2.634 10 0 GFAERN C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)CCS1 ZINC000171733909 551662044 /nfs/dbraw/zinc/66/20/44/551662044.db2.gz LIDHDEAEEKLLCQ-YOEHRIQHSA-N 0 0 383.945 2.860 10 0 GFAERN Cc1[nH]c(=S)sc1CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171814156 551664628 /nfs/dbraw/zinc/66/46/28/551664628.db2.gz FEZUWLGNALHVED-HNNXBMFYSA-N 0 0 377.535 2.534 10 0 GFAERN CN(C)c1nc2sc(C(=O)N3CCC[C@H](Cn4cncn4)C3)cc2s1 ZINC000172400349 551678608 /nfs/dbraw/zinc/67/86/08/551678608.db2.gz NUQVPENHIUFOPH-NSHDSACASA-N 0 0 376.511 2.568 10 0 GFAERN O=C(CCCc1ccc(Br)s1)N1CC[C@H](N2CCOCC2)C1 ZINC000172761041 551686328 /nfs/dbraw/zinc/68/63/28/551686328.db2.gz DGLRRNOHLKLNBA-ZDUSSCGKSA-N 0 0 387.343 2.766 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3cc(-c4ccc(Cl)s4)on3)CCO2)[nH]1 ZINC000173607494 552088983 /nfs/dbraw/zinc/08/89/83/552088983.db2.gz OJFDYBOBLQGQTK-LLVKDONJSA-N 0 0 379.829 2.697 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2cc(Br)ccc2OC)C[C@@H]1C ZINC000173804414 552091906 /nfs/dbraw/zinc/09/19/06/552091906.db2.gz GOYQWPPMURJHSB-AWEZNQCLSA-N 0 0 399.329 2.569 10 0 GFAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000173809467 552092535 /nfs/dbraw/zinc/09/25/35/552092535.db2.gz OUNAYPZDHQNIHO-BNEJOLLZSA-N 0 0 393.325 2.732 10 0 GFAERN Cc1cc(N2CCC[C@H](NCc3ccccc3Br)C2=O)n(C)n1 ZINC000173852997 552094039 /nfs/dbraw/zinc/09/40/39/552094039.db2.gz BCLTXQZBBVVPBC-HNNXBMFYSA-N 0 0 377.286 2.776 10 0 GFAERN C[C@@H]1CN([C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)CCO1 ZINC000175224327 552118569 /nfs/dbraw/zinc/11/85/69/552118569.db2.gz GZORVWWMQYOXTF-CJNGLKHVSA-N 0 0 384.498 2.628 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)NCCc3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000175454260 552122363 /nfs/dbraw/zinc/12/23/63/552122363.db2.gz YGGGEHRYZJNRCJ-CQSZACIVSA-N 0 0 384.267 2.746 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C[C@@H](C)O1 ZINC000175953449 552133213 /nfs/dbraw/zinc/13/32/13/552133213.db2.gz RJQCGNHSDKAKSS-HTQZYQBOSA-N 0 0 393.640 2.816 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000177005321 552149312 /nfs/dbraw/zinc/14/93/12/552149312.db2.gz SFDPXMDXNBPDHN-CYBMUJFWSA-N 0 0 375.281 2.848 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000177185655 552151355 /nfs/dbraw/zinc/15/13/55/552151355.db2.gz XABBJJVANOHESM-ZDUSSCGKSA-N 0 0 392.253 2.988 10 0 GFAERN O=C(NCC1(c2ccccc2Br)CC1)N[C@H]1CCCn2ncnc21 ZINC000177318381 552152729 /nfs/dbraw/zinc/15/27/29/552152729.db2.gz AEIVUTYUONHDGZ-AWEZNQCLSA-N 0 0 390.285 2.907 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)c1cccc(Br)c1 ZINC000177818701 552159139 /nfs/dbraw/zinc/15/91/39/552159139.db2.gz SUPXBECOGUPCOB-NSHDSACASA-N 0 0 391.269 2.872 10 0 GFAERN C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2F)C[C@@H]1N1CCOCC1 ZINC000177849630 552159854 /nfs/dbraw/zinc/15/98/54/552159854.db2.gz YNNQAENSHCIWGQ-ABAIWWIYSA-N 0 0 386.265 2.773 10 0 GFAERN Cn1cc(Br)cc(NC(=O)N[C@H]2CCOc3ccccc32)c1=O ZINC000177972817 552161864 /nfs/dbraw/zinc/16/18/64/552161864.db2.gz HSOJYMINAXJCAY-LBPRGKRZSA-N 0 0 378.226 2.793 10 0 GFAERN CC(C)n1ccnc1CS(=O)(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000178164990 552165776 /nfs/dbraw/zinc/16/57/76/552165776.db2.gz WMJFHOGBBMHMSA-UHFFFAOYSA-N 0 0 392.449 2.575 10 0 GFAERN CNC(=O)[C@H](NC(=O)CCOc1ccc(Cl)cc1Br)C(C)C ZINC000178698718 552173666 /nfs/dbraw/zinc/17/36/66/552173666.db2.gz BOOOLNIDPWSTQT-CQSZACIVSA-N 0 0 391.693 2.758 10 0 GFAERN CNC(=O)[C@H](NC(=O)[C@H](C)CC(=O)c1cccc(Br)c1)C(C)C ZINC000178696867 552173679 /nfs/dbraw/zinc/17/36/79/552173679.db2.gz XAUANOQCGCRZQP-IAQYHMDHSA-N 0 0 383.286 2.545 10 0 GFAERN Cc1nnc([C@H]2CN(Cc3ccc(Br)c4cccnc34)CCO2)[nH]1 ZINC000180238435 552218536 /nfs/dbraw/zinc/21/85/36/552218536.db2.gz VOJDRRCMBLWHOX-OAHLLOKOSA-N 0 0 388.269 2.997 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000180402260 552225831 /nfs/dbraw/zinc/22/58/31/552225831.db2.gz UDGPDSYLNSUSQD-ZDUSSCGKSA-N 0 0 381.263 2.920 10 0 GFAERN O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@H](Cn2cncn2)C1 ZINC000180976682 552242073 /nfs/dbraw/zinc/24/20/73/552242073.db2.gz WXDDCOHLDDWRFO-LLVKDONJSA-N 0 0 375.281 2.686 10 0 GFAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](C)C2 ZINC000181257409 552252010 /nfs/dbraw/zinc/25/20/10/552252010.db2.gz RJUXQQFQIMINQG-GTNSWQLSSA-N 0 0 378.881 2.959 10 0 GFAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000181348645 552253951 /nfs/dbraw/zinc/25/39/51/552253951.db2.gz OLQAZZYLIGWZGT-SNVBAGLBSA-N 0 0 382.247 2.816 10 0 GFAERN COc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)nc1Br ZINC000181390940 552255219 /nfs/dbraw/zinc/25/52/19/552255219.db2.gz SUFQLLOVFLMDLC-GFCCVEGCSA-N 0 0 378.226 2.541 10 0 GFAERN C[C@@H](NC(=O)CN[C@H](C)c1ccccc1Br)C(=O)N1CCCCC1 ZINC000181572617 552261208 /nfs/dbraw/zinc/26/12/08/552261208.db2.gz ARBSYRMRPFLLDJ-ZIAGYGMSSA-N 0 0 396.329 2.617 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)c1sccc1S(=O)(=O)N(C)C)[C@H](C)C2 ZINC000182230062 552279122 /nfs/dbraw/zinc/27/91/22/552279122.db2.gz ACHRAHMHWJKGGC-MLGOLLRUSA-N 0 0 378.519 2.970 10 0 GFAERN C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)c1cccs1 ZINC000182353161 552281598 /nfs/dbraw/zinc/28/15/98/552281598.db2.gz DFVCOYDUJYKBFN-ZFWWWQNUSA-N 0 0 385.555 2.845 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)Cc2csc(Br)c2)n1C ZINC000182376087 552281803 /nfs/dbraw/zinc/28/18/03/552281803.db2.gz VBOXRACNNRHGKE-UHFFFAOYSA-N 0 0 378.317 2.878 10 0 GFAERN C[C@@H](NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000182994421 552297996 /nfs/dbraw/zinc/29/79/96/552297996.db2.gz AZHPUSJFPSBWAA-SNVBAGLBSA-N 0 0 397.913 2.632 10 0 GFAERN COc1ccc(C(=O)N2CCC(c3ccnn3C)CC2)nc1Br ZINC000183174971 552302095 /nfs/dbraw/zinc/30/20/95/552302095.db2.gz JROQPUUVZRLBAY-UHFFFAOYSA-N 0 0 379.258 2.606 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000183765509 552318762 /nfs/dbraw/zinc/31/87/62/552318762.db2.gz VJGUMEANYDVAEO-SNVBAGLBSA-N 0 0 395.228 2.884 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)/C=C/c1cccc(Cl)c1)CC2 ZINC000184243957 552330453 /nfs/dbraw/zinc/33/04/53/552330453.db2.gz WUWJVBXEGXXHEP-XVJNWHFHSA-N 0 0 380.901 2.960 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cc(F)c(Br)cc3C)CCO2)[nH]1 ZINC000184832581 552345219 /nfs/dbraw/zinc/34/52/19/552345219.db2.gz WFUPYGXTALNPCF-ZDUSSCGKSA-N 0 0 398.236 2.929 10 0 GFAERN O=C(Nc1ccc(F)c(Cl)c1)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186277602 552383952 /nfs/dbraw/zinc/38/39/52/552383952.db2.gz JKZVHXAGAYAFCY-AAEUAGOBSA-N 0 0 382.844 2.714 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000186641616 552393131 /nfs/dbraw/zinc/39/31/31/552393131.db2.gz ZHETTWNBGYMDQV-UHFFFAOYSA-N 0 0 384.929 2.971 10 0 GFAERN Cc1ccc(Br)cc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000186665183 552394219 /nfs/dbraw/zinc/39/42/19/552394219.db2.gz ASLXNXAYUNCQBU-AWEZNQCLSA-N 0 0 383.286 2.769 10 0 GFAERN COc1c(Br)cccc1CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000186948410 552402418 /nfs/dbraw/zinc/40/24/18/552402418.db2.gz GISJMBKTVLGUTA-HNNXBMFYSA-N 0 0 380.286 2.864 10 0 GFAERN NC(=O)c1coc(CN[C@H](c2ccc(Br)cc2)c2cncnc2)c1 ZINC000187734292 552423176 /nfs/dbraw/zinc/42/31/76/552423176.db2.gz RHDBIQXVYCFHBO-MRXNPFEDSA-N 0 0 387.237 2.810 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3nc(Br)ccc3C)C2)no1 ZINC000187900058 552427667 /nfs/dbraw/zinc/42/76/67/552427667.db2.gz RUETWCOHFMIFHU-LBPRGKRZSA-N 0 0 379.258 2.939 10 0 GFAERN Cc1cccc(S(=O)(=O)CCCN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188152375 552437250 /nfs/dbraw/zinc/43/72/50/552437250.db2.gz HTYFFLVKSZHCEH-HKUYNNGSSA-N 0 0 379.547 2.928 10 0 GFAERN Cc1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)nc(N(C)C)n1 ZINC000188284739 552441444 /nfs/dbraw/zinc/44/14/44/552441444.db2.gz BKQGIKQSFKGLLF-UHFFFAOYSA-N 0 0 375.281 2.636 10 0 GFAERN C[C@@H](NC(=O)c1nc(Br)ccc1Br)[C@@H]1CCCO1 ZINC000188599877 552449456 /nfs/dbraw/zinc/44/94/56/552449456.db2.gz POMOJWAEDSZXMS-APPZFPTMSA-N 0 0 378.064 2.904 10 0 GFAERN CC(C)Oc1ccc(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188882270 552457598 /nfs/dbraw/zinc/45/75/98/552457598.db2.gz IYGLUOFFINQRHP-YJBOKZPZSA-N 0 0 381.519 2.932 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)c2nc(Br)cs2)C12CCOCC2 ZINC000189010347 552460783 /nfs/dbraw/zinc/46/07/83/552460783.db2.gz RQFYHGCWPCNORP-NXEZZACHSA-N 0 0 375.288 2.610 10 0 GFAERN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CC(NC(=O)C2CC2)C1 ZINC000189476210 552472577 /nfs/dbraw/zinc/47/25/77/552472577.db2.gz HUALKWGPUYYJJR-UHFFFAOYSA-N 0 0 375.881 2.743 10 0 GFAERN O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCC[C@H](Cn2cncn2)C1 ZINC000189729968 552478553 /nfs/dbraw/zinc/47/85/53/552478553.db2.gz OJHKFFVDUKLVGA-NSHDSACASA-N 0 0 376.873 2.936 10 0 GFAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(Br)nc2C)C1 ZINC000190137265 552488340 /nfs/dbraw/zinc/48/83/40/552488340.db2.gz VBHGAGACVPYRGB-PWSUYJOCSA-N 0 0 396.245 2.838 10 0 GFAERN CCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1)CC2 ZINC000190577202 552501705 /nfs/dbraw/zinc/50/17/05/552501705.db2.gz BJOISCLRLBEQCN-BZNIZROVSA-N 0 0 383.279 2.966 10 0 GFAERN O=C(Nc1cc(F)cc(F)c1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000190691229 552506663 /nfs/dbraw/zinc/50/66/63/552506663.db2.gz PKJLHRUWJNFYEK-NSHDSACASA-N 0 0 390.228 2.666 10 0 GFAERN CCn1cc([C@H]2CN(C[C@H](O)c3cccc(Br)c3)CCO2)cn1 ZINC000190763274 552508476 /nfs/dbraw/zinc/50/84/76/552508476.db2.gz POJRVNFYLQUWBS-DLBZAZTESA-N 0 0 380.286 2.772 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3nc(Br)ccc3C)CC2)s1 ZINC000191524005 552530994 /nfs/dbraw/zinc/53/09/94/552530994.db2.gz WXZDFBOVSGHKCP-UHFFFAOYSA-N 0 0 395.326 2.875 10 0 GFAERN C[C@H]1OCCC[C@@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000191567216 552531934 /nfs/dbraw/zinc/53/19/34/552531934.db2.gz XVQPKYDHNYNPRI-HIFRSBDPSA-N 0 0 397.313 2.729 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C[C@@H](C)O1 ZINC000191937065 552543179 /nfs/dbraw/zinc/54/31/79/552543179.db2.gz FDCROXRIFBGRPM-RKDXNWHRSA-N 0 0 375.650 2.677 10 0 GFAERN CCn1cc([C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CCO2)cn1 ZINC000192028433 552546723 /nfs/dbraw/zinc/54/67/23/552546723.db2.gz MHUADLAQJDQNOO-INIZCTEOSA-N 0 0 387.864 2.599 10 0 GFAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000192075264 552549743 /nfs/dbraw/zinc/54/97/43/552549743.db2.gz RUYPLRQQFACFET-JOYOIKCWSA-N 0 0 375.252 2.608 10 0 GFAERN Cc1cc(OC(F)F)c(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)s1 ZINC000192145639 552552977 /nfs/dbraw/zinc/55/29/77/552552977.db2.gz PDUYORGDAASKDQ-LLVKDONJSA-N 0 0 376.425 2.669 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)c2ncc(Br)s2)C12CCOCC2 ZINC000192498969 552565675 /nfs/dbraw/zinc/56/56/75/552565675.db2.gz GYOIYBIPRLCUIQ-ZJUUUORDSA-N 0 0 375.288 2.610 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C)c1ccc(Cl)s1 ZINC000192571242 552566740 /nfs/dbraw/zinc/56/67/40/552566740.db2.gz AQGAOWUJBWFVHP-SECBINFHSA-N 0 0 377.853 2.736 10 0 GFAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)ncc1Br ZINC000192821962 552975256 /nfs/dbraw/zinc/97/52/56/552975256.db2.gz VMGZEZTXQYBHDO-ZDUSSCGKSA-N 0 0 390.237 2.731 10 0 GFAERN COC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1ccccc1 ZINC000193535717 552996133 /nfs/dbraw/zinc/99/61/33/552996133.db2.gz VDUROVFNPGZLIG-HOTGVXAUSA-N 0 0 390.233 2.783 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CCO2)n1 ZINC000193952413 553007605 /nfs/dbraw/zinc/00/76/05/553007605.db2.gz ZPRNFNQCHMIGCA-LBPRGKRZSA-N 0 0 378.397 2.631 10 0 GFAERN COc1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000193944221 553007789 /nfs/dbraw/zinc/00/77/89/553007789.db2.gz UBEXTKYSJLOJNM-ZDUSSCGKSA-N 0 0 388.898 2.876 10 0 GFAERN CCc1nnc(C[S@](=O)Cc2csc(-c3ccccc3OC)n2)n1C ZINC000194125234 553012076 /nfs/dbraw/zinc/01/20/76/553012076.db2.gz CFOCXYSSJPNLGW-RUZDIDTESA-N 0 0 376.507 2.959 10 0 GFAERN CCn1c(C)nnc1C[S@@](=O)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000194309560 553017164 /nfs/dbraw/zinc/01/71/64/553017164.db2.gz JEBXSAOOWMKXPQ-VWLOTQADSA-N 0 0 399.307 2.943 10 0 GFAERN Cn1nccc1C1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194336129 553017633 /nfs/dbraw/zinc/01/76/33/553017633.db2.gz UOLMIYYSTBIOGE-KRWDZBQOSA-N 0 0 390.281 2.892 10 0 GFAERN O=C(COc1ccc(I)cc1)N[C@H]1COc2ccccc21 ZINC000194880972 553032868 /nfs/dbraw/zinc/03/28/68/553032868.db2.gz PZJSVYQICQKHGA-AWEZNQCLSA-N 0 0 395.196 2.920 10 0 GFAERN C[C@H](NC(=O)c1ccc(CS(N)(=O)=O)cc1)c1ccccc1Br ZINC000195195082 553040851 /nfs/dbraw/zinc/04/08/51/553040851.db2.gz FZJXDASIGGFJNH-NSHDSACASA-N 0 0 397.294 2.729 10 0 GFAERN O=C(COc1cccc(I)c1)N[C@H]1COc2ccccc21 ZINC000195393190 553047037 /nfs/dbraw/zinc/04/70/37/553047037.db2.gz FPJBTBOBAPVIOW-AWEZNQCLSA-N 0 0 395.196 2.920 10 0 GFAERN Cc1csc([C@@H]2CN(CC(=O)N3CCC[C@H](C(F)(F)F)C3)CCO2)n1 ZINC000195395723 553047398 /nfs/dbraw/zinc/04/73/98/553047398.db2.gz ILINMZQQCRVUBY-STQMWFEESA-N 0 0 377.432 2.626 10 0 GFAERN CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000226856383 553061907 /nfs/dbraw/zinc/06/19/07/553061907.db2.gz RXQONHONQQCPGU-LBPRGKRZSA-N 0 0 376.906 2.827 10 0 GFAERN C[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)c1cccc(Br)c1 ZINC000228059888 553063433 /nfs/dbraw/zinc/06/34/33/553063433.db2.gz ABCNTHJHQVMIJL-MRVPVSSYSA-N 0 0 378.679 2.876 10 0 GFAERN NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000245808608 553097719 /nfs/dbraw/zinc/09/77/19/553097719.db2.gz QMHLDTBHZJHLJO-CVEARBPZSA-N 0 0 376.254 2.524 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000245904332 553099187 /nfs/dbraw/zinc/09/91/87/553099187.db2.gz BQOHUZUCKGXZBH-XJKSGUPXSA-N 0 0 395.276 2.784 10 0 GFAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246695612 553111838 /nfs/dbraw/zinc/11/18/38/553111838.db2.gz NBNYPABLCVWIKK-HZPDHXFCSA-N 0 0 376.254 2.524 10 0 GFAERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246836723 553114053 /nfs/dbraw/zinc/11/40/53/553114053.db2.gz DEZWYISSUBIRHI-IIYDPXPESA-N 0 0 387.307 2.940 10 0 GFAERN CCOCCN1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000247811706 553125692 /nfs/dbraw/zinc/12/56/92/553125692.db2.gz VCEOKIVPXKCFJK-HUUCEWRRSA-N 0 0 398.345 2.819 10 0 GFAERN CCOCCN1CCN([C@@H](C)C(=O)Nc2ccccc2Br)C[C@H]1C ZINC000247880471 553126778 /nfs/dbraw/zinc/12/67/78/553126778.db2.gz ZHANUJVJODYNNE-CABCVRRESA-N 0 0 398.345 2.819 10 0 GFAERN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000248436050 553129500 /nfs/dbraw/zinc/12/95/00/553129500.db2.gz GDIIBDNIUQIRMC-TZMCWYRMSA-N 0 0 385.251 2.708 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n1 ZINC000248507626 553130772 /nfs/dbraw/zinc/13/07/72/553130772.db2.gz XLHBTOAIKHUSNY-KKUMJFAQSA-N 0 0 392.253 2.844 10 0 GFAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000248868209 553136093 /nfs/dbraw/zinc/13/60/93/553136093.db2.gz ITTDSNNFEHXGQH-ZJUUUORDSA-N 0 0 393.292 2.549 10 0 GFAERN C[C@H](CO)N(C[C@H](C)O)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000249038657 553138406 /nfs/dbraw/zinc/13/84/06/553138406.db2.gz CSUZXJNKTURNCY-OXJKWZBOSA-N 0 0 375.296 2.870 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000262685540 553173981 /nfs/dbraw/zinc/17/39/81/553173981.db2.gz CFOSMXQNUONSPQ-UNXYVOJBSA-N 0 0 389.279 2.814 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(c2ncc(Br)cc2Cl)CC1 ZINC000263565936 553189489 /nfs/dbraw/zinc/18/94/89/553189489.db2.gz WBIAICKUGPQNGE-NSHDSACASA-N 0 0 376.682 2.873 10 0 GFAERN COc1ccc(Br)c(CN2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c1 ZINC000263562135 553189780 /nfs/dbraw/zinc/18/97/80/553189780.db2.gz CNRZRTKRBSDCLX-AWEZNQCLSA-N 0 0 385.302 2.829 10 0 GFAERN OC[C@H]1CCCN1c1cc(NCc2cc(F)ccc2Br)ncn1 ZINC000301234899 563397221 /nfs/dbraw/zinc/39/72/21/563397221.db2.gz JWSWZDMZUUHUBO-CYBMUJFWSA-N 0 0 381.249 2.951 10 0 GFAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000282135013 563399138 /nfs/dbraw/zinc/39/91/38/563399138.db2.gz OMGVRLPHUZROHZ-WRWORJQWSA-N 0 0 390.075 2.609 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCN(c3nc(C(C)C)ns3)CC2)c(C)c1 ZINC000301562050 563407148 /nfs/dbraw/zinc/40/71/48/563407148.db2.gz ITBNZKFJFSGOAR-UHFFFAOYSA-N 0 0 380.539 2.789 10 0 GFAERN CNc1nc(NCC2CCN(CC(F)(F)F)CC2)ncc1Br ZINC000302531407 563426064 /nfs/dbraw/zinc/42/60/64/563426064.db2.gz LJJZQYYKNWGEAM-UHFFFAOYSA-N 0 0 382.228 2.967 10 0 GFAERN COCCN(C[C@@H]1CC=CCC1)c1ncnc2c1c(Br)nn2C ZINC000302756110 563429928 /nfs/dbraw/zinc/42/99/28/563429928.db2.gz WSKUSZOWTWSOQX-GFCCVEGCSA-N 0 0 380.290 2.935 10 0 GFAERN C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC000392906770 563528059 /nfs/dbraw/zinc/52/80/59/563528059.db2.gz XHIQFXHYBYWXGR-RDDDGLTNSA-N 0 0 392.091 2.674 10 0 GFAERN O=C(c1csc(I)c1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398807306 563533422 /nfs/dbraw/zinc/53/34/22/563533422.db2.gz UDFJDEPYTPTYQR-IQJOONFLSA-N 0 0 377.247 2.586 10 0 GFAERN C[C@H]1CC[C@@H](O)CN1C(=O)c1cc(Cl)ccc1I ZINC000399154682 563533641 /nfs/dbraw/zinc/53/36/41/563533641.db2.gz AWGKBZHHDZMNDL-WCBMZHEXSA-N 0 0 379.625 2.930 10 0 GFAERN C[C@H]1C[C@@H](O)CN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000401703982 563535148 /nfs/dbraw/zinc/53/51/48/563535148.db2.gz POQZJMLWNMJURE-WCBMZHEXSA-N 0 0 379.625 2.788 10 0 GFAERN COC(=O)c1nn(CC(F)(F)F)c(N)c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000725254316 570272530 /nfs/dbraw/zinc/27/25/30/570272530.db2.gz FGXNUIGGFXGDBE-SECBINFHSA-N 0 0 392.378 2.539 10 0 GFAERN Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3cc4cc(Cl)ccc4s3)C2)n1 ZINC000275216919 570688789 /nfs/dbraw/zinc/68/87/89/570688789.db2.gz BREFMYHAZUOCCO-OAHLLOKOSA-N 0 0 399.881 2.528 10 0 GFAERN Cc1cc(C)c([C@@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2ccncc2)C3)cc1C ZINC000004355170 570690711 /nfs/dbraw/zinc/69/07/11/570690711.db2.gz OJDGCPLKMHKSKH-FQEVSTJZSA-N 0 0 376.460 2.999 10 0 GFAERN O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)N1CCC(c2ccccc2)CC1 ZINC000015072179 570877173 /nfs/dbraw/zinc/87/71/73/570877173.db2.gz SKXDTONSXBQLOB-FQEVSTJZSA-N 0 0 397.544 2.845 10 0 GFAERN Cc1nonc1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000015077669 570878812 /nfs/dbraw/zinc/87/88/12/570878812.db2.gz SLQDNBYJPBMTLT-LJQANCHMSA-N 0 0 376.407 2.785 10 0 GFAERN Cc1nc2cccnc2n1CCN1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000033282087 570957274 /nfs/dbraw/zinc/95/72/74/570957274.db2.gz SIUSZGFMWSSDLK-UHFFFAOYSA-N 0 0 382.443 2.729 10 0 GFAERN Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)/C=C/c1ccccc1 ZINC000007057000 654461852 /nfs/dbraw/zinc/46/18/52/654461852.db2.gz CLSSAYLMGLZXFV-VAWYXSNFSA-N 0 0 380.491 2.658 10 0 GFAERN COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000036350739 654612460 /nfs/dbraw/zinc/61/24/60/654612460.db2.gz IHBWWMNTRYGTMV-LBPRGKRZSA-N 0 0 382.869 2.906 10 0 GFAERN C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000044374774 654656931 /nfs/dbraw/zinc/65/69/31/654656931.db2.gz IXQFPBGFASMPNV-PWSUYJOCSA-N 0 0 379.309 2.842 10 0 GFAERN COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000122976232 654748696 /nfs/dbraw/zinc/74/86/96/654748696.db2.gz NZNRHPCELSQWEA-CYBMUJFWSA-N 0 0 380.491 2.806 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1cnc(-c2cccs2)o1 ZINC000124605066 654779242 /nfs/dbraw/zinc/77/92/42/654779242.db2.gz KVJCCTUOGDSLSX-ZDUSSCGKSA-N 0 0 384.479 2.651 10 0 GFAERN CN(Cc1ccc(Br)s1)C(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000060458168 654830146 /nfs/dbraw/zinc/83/01/46/654830146.db2.gz HOCSHHCRYVPWPU-CYBMUJFWSA-N 0 0 396.310 2.749 10 0 GFAERN O=C(CN1CCC[C@H](C(F)(F)F)C1)N1CCN(Cc2cccs2)CC1 ZINC000061760975 654842339 /nfs/dbraw/zinc/84/23/39/654842339.db2.gz WKKBYUHALAPAQV-AWEZNQCLSA-N 0 0 375.460 2.667 10 0 GFAERN CCn1c(C)nnc1CSc1nnc(-c2cccc(Br)c2)n1N ZINC000130563555 654890197 /nfs/dbraw/zinc/89/01/97/654890197.db2.gz FNDOHDQLXXYBHQ-UHFFFAOYSA-N 0 0 394.302 2.634 10 0 GFAERN CSC[C@@H](C)NC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000131721045 654915345 /nfs/dbraw/zinc/91/53/45/654915345.db2.gz RTIJPTBCNPQBJZ-SFYZADRCSA-N 0 0 375.277 2.846 10 0 GFAERN O=S(=O)(c1cccc(Br)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000132704748 654946439 /nfs/dbraw/zinc/94/64/39/654946439.db2.gz SJOAEOYCJIIACS-CQSZACIVSA-N 0 0 383.267 2.686 10 0 GFAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000133942183 654978118 /nfs/dbraw/zinc/97/81/18/654978118.db2.gz PDBXQEKHIMBGOM-LLVKDONJSA-N 0 0 389.175 2.804 10 0 GFAERN C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H](C)c1ccccc1Br ZINC000134598866 654997261 /nfs/dbraw/zinc/99/72/61/654997261.db2.gz GUVHYWHICAFNLZ-GHMZBOCLSA-N 0 0 377.304 2.633 10 0 GFAERN C[C@@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000135805201 655024697 /nfs/dbraw/zinc/02/46/97/655024697.db2.gz VEWBMVCCAYCXNY-GFCCVEGCSA-N 0 0 381.885 2.590 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(Cn2c(Cc3cccs3)n[nH]c2=S)C1 ZINC000101538731 655043092 /nfs/dbraw/zinc/04/30/92/655043092.db2.gz MKHXPPBRKQCRHP-CYBMUJFWSA-N 0 0 379.555 2.931 10 0 GFAERN C[C@@H](OC(=O)Cn1cc(Br)ccc1=O)c1nc2ccccc2[nH]1 ZINC000102129723 655051233 /nfs/dbraw/zinc/05/12/33/655051233.db2.gz LKERUGVVUIHSPF-SNVBAGLBSA-N 0 0 376.210 2.792 10 0 GFAERN C[C@@H](OC(=O)CCNC(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000151519770 655052224 /nfs/dbraw/zinc/05/22/24/655052224.db2.gz KRZYQKGMNIHLBO-GFCCVEGCSA-N 0 0 384.270 2.927 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(Cn3nc(OC(C)C)sc3=S)CCO2)n1 ZINC000152872207 655062785 /nfs/dbraw/zinc/06/27/85/655062785.db2.gz NICYAJFYRPOFDT-CQSZACIVSA-N 0 0 383.543 2.633 10 0 GFAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000153036379 655064156 /nfs/dbraw/zinc/06/41/56/655064156.db2.gz SIKUNKNLPCLICX-CYBMUJFWSA-N 0 0 390.292 2.877 10 0 GFAERN COCCN(CC(F)F)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000103391959 655072090 /nfs/dbraw/zinc/07/20/90/655072090.db2.gz SEKUWSDNERZKEP-OAHLLOKOSA-N 0 0 376.831 2.835 10 0 GFAERN CC(C)[C@@H](CNc1ccccc1S(=O)(=O)C(F)(F)F)N1CCOCC1 ZINC000105948045 655099616 /nfs/dbraw/zinc/09/96/16/655099616.db2.gz HCTSRTBRNRRLDI-CQSZACIVSA-N 0 0 380.432 2.749 10 0 GFAERN CCc1nccn1[C@@H]1CCCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000106214536 655105006 /nfs/dbraw/zinc/10/50/06/655105006.db2.gz UXJTXYIFDVPBAM-CQSZACIVSA-N 0 0 392.301 2.879 10 0 GFAERN Brc1cccc(-c2noc(CN3CCC[C@@H](n4cncn4)C3)n2)c1 ZINC000106219003 655105037 /nfs/dbraw/zinc/10/50/37/655105037.db2.gz DMSBGPDNTRPDFV-CQSZACIVSA-N 0 0 389.257 2.928 10 0 GFAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CCO2)c1 ZINC000106198391 655105050 /nfs/dbraw/zinc/10/50/50/655105050.db2.gz PQCQTPBBJOHFIA-CQSZACIVSA-N 0 0 383.279 2.838 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000106395516 655107742 /nfs/dbraw/zinc/10/77/42/655107742.db2.gz GNSNINCMVPZLCR-MRXNPFEDSA-N 0 0 383.330 2.642 10 0 GFAERN O=C(O[C@@H](c1cc(Br)ccc1F)C(F)(F)F)[C@H]1CNC(=O)C1 ZINC000107020638 655116539 /nfs/dbraw/zinc/11/65/39/655116539.db2.gz DPDXZSPYHKWUCR-KBUNVGBDSA-N 0 0 384.123 2.871 10 0 GFAERN O=C(c1ccc(Br)cc1F)N1CCCN(c2cccnn2)CC1 ZINC000109629040 655149051 /nfs/dbraw/zinc/14/90/51/655149051.db2.gz PTTDHXHTKZVHJD-UHFFFAOYSA-N 0 0 379.233 2.731 10 0 GFAERN CN(c1cccnn1)C1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000109641918 655149576 /nfs/dbraw/zinc/14/95/76/655149576.db2.gz LGBOCERKIPXUKW-UHFFFAOYSA-N 0 0 389.297 2.909 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cc(Br)ccc3F)CC2)no1 ZINC000109923096 655154072 /nfs/dbraw/zinc/15/40/72/655154072.db2.gz QJUJYVGKMJCMGT-UHFFFAOYSA-N 0 0 397.248 2.628 10 0 GFAERN S=c1oc(-c2ccc(Cl)s2)nn1CN1CC[C@H](N2CCOCC2)C1 ZINC000172962465 655161497 /nfs/dbraw/zinc/16/14/97/655161497.db2.gz DIOLJIYWVOJTCJ-NSHDSACASA-N 0 0 386.930 2.951 10 0 GFAERN O=C(c1cc2cc(Br)ccc2o1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111085204 655164498 /nfs/dbraw/zinc/16/44/98/655164498.db2.gz JSIDNJVRPDYFFL-CQSZACIVSA-N 0 0 390.237 2.933 10 0 GFAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3c(Cl)nc4ccccn43)C2)c1 ZINC000111361020 655171058 /nfs/dbraw/zinc/17/10/58/655171058.db2.gz XMQZFNAIAWXUNU-CYBMUJFWSA-N 0 0 379.873 2.518 10 0 GFAERN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)N[C@H](C)c2cccs2)cc1 ZINC000173421404 655171232 /nfs/dbraw/zinc/17/12/32/655171232.db2.gz DZNSTCSBGRKAKV-CQSZACIVSA-N 0 0 381.523 2.737 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)CCc3ccccc3Br)CCO2)c1 ZINC000112064965 655181625 /nfs/dbraw/zinc/18/16/25/655181625.db2.gz ZJJCNAYIMGVGKP-INIZCTEOSA-N 0 0 392.297 2.814 10 0 GFAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CCO2)c1 ZINC000112093736 655182169 /nfs/dbraw/zinc/18/21/69/655182169.db2.gz PITJKASUTAPNDC-AWEZNQCLSA-N 0 0 390.292 2.588 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C[C@@H]1C ZINC000174337190 655199785 /nfs/dbraw/zinc/19/97/85/655199785.db2.gz WSFFQAZSEVCJNA-LSDHHAIUSA-N 0 0 395.341 2.784 10 0 GFAERN O=C(c1csc(I)c1)N1CCN2CCCC[C@H]2C1 ZINC000113423722 655210258 /nfs/dbraw/zinc/21/02/58/655210258.db2.gz QYVCNQGEOLHHLT-NSHDSACASA-N 0 0 376.263 2.663 10 0 GFAERN C[C@H](NC(=O)NCCN1C(=O)CCC1=O)c1c(Cl)ccc(F)c1Cl ZINC000113970395 655216706 /nfs/dbraw/zinc/21/67/06/655216706.db2.gz JWPQGLXQBZODQR-QMMMGPOBSA-N 0 0 376.215 2.642 10 0 GFAERN CCN1CCC[C@@H]1CN(C)C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000175544710 655222852 /nfs/dbraw/zinc/22/28/52/655222852.db2.gz UICAYSMMWNMFEW-GFCCVEGCSA-N 0 0 378.416 2.536 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(Br)c(F)c1 ZINC000175729790 655226330 /nfs/dbraw/zinc/22/63/30/655226330.db2.gz LIEVUKFRJYLDEG-ZDUSSCGKSA-N 0 0 382.237 2.822 10 0 GFAERN O=C(CCNS(=O)(=O)c1ccccc1)N1CCCC[C@H]1c1nccs1 ZINC000115363455 655236133 /nfs/dbraw/zinc/23/61/33/655236133.db2.gz NQENTGMRWQJRKP-HNNXBMFYSA-N 0 0 379.507 2.565 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1c(F)cccc1Br ZINC000176742081 655254670 /nfs/dbraw/zinc/25/46/70/655254670.db2.gz IPCUUPWJIMHYAK-NSHDSACASA-N 0 0 379.233 2.777 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)n1 ZINC000116899462 655256225 /nfs/dbraw/zinc/25/62/25/655256225.db2.gz RCMCJTQSEUTQDM-OAHLLOKOSA-N 0 0 382.917 2.958 10 0 GFAERN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000117236804 655261886 /nfs/dbraw/zinc/26/18/86/655261886.db2.gz QLQDCXVFLDZGMQ-HOCLYGCPSA-N 0 0 383.330 2.855 10 0 GFAERN CCOCCN1CCN(C(=O)CCc2cccc(Br)c2)C[C@H]1C ZINC000117281864 655262741 /nfs/dbraw/zinc/26/27/41/655262741.db2.gz HBPWIHZWZVFSKX-OAHLLOKOSA-N 0 0 383.330 2.951 10 0 GFAERN COCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@@H]1C ZINC000117286952 655263261 /nfs/dbraw/zinc/26/32/61/655263261.db2.gz KSNPPGCXKNSTJB-IAOVAPTHSA-N 0 0 381.314 2.732 10 0 GFAERN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000176968375 655264265 /nfs/dbraw/zinc/26/42/65/655264265.db2.gz NHILEVZLJXSCNJ-ZDUSSCGKSA-N 0 0 378.416 2.536 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000118480020 655276818 /nfs/dbraw/zinc/27/68/18/655276818.db2.gz BPPGSQYFNAVOPF-MFKMUULPSA-N 0 0 389.315 2.709 10 0 GFAERN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177554601 655281164 /nfs/dbraw/zinc/28/11/64/655281164.db2.gz ZUBXODBZJXPVEX-JOYOIKCWSA-N 0 0 378.778 2.965 10 0 GFAERN O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177552047 655281216 /nfs/dbraw/zinc/28/12/16/655281216.db2.gz DPZFWVPKKSQBOQ-SKDRFNHKSA-N 0 0 376.787 2.547 10 0 GFAERN O=C(c1cccc(I)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177754242 655287551 /nfs/dbraw/zinc/28/75/51/655287551.db2.gz VYXQYOHNRAEUJO-CQSZACIVSA-N 0 0 381.217 2.793 10 0 GFAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@H](Oc2cccnc2)C1 ZINC000178085381 655297146 /nfs/dbraw/zinc/29/71/46/655297146.db2.gz BACAVHWZJLVJAC-ZDUSSCGKSA-N 0 0 391.221 2.866 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000119299015 655297532 /nfs/dbraw/zinc/29/75/32/655297532.db2.gz QKFNJQQBVPGCKN-GFCCVEGCSA-N 0 0 382.251 2.792 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000119372595 655301205 /nfs/dbraw/zinc/30/12/05/655301205.db2.gz ABOBLJPBLPNDOW-SECBINFHSA-N 0 0 385.791 2.933 10 0 GFAERN CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178399742 655302770 /nfs/dbraw/zinc/30/27/70/655302770.db2.gz ICSYODQDYKOWJR-CQSZACIVSA-N 0 0 388.281 2.890 10 0 GFAERN C[C@H](NC(=O)c1cccc(Br)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000119865881 655319019 /nfs/dbraw/zinc/31/90/19/655319019.db2.gz YYFLKCQDTNFWFL-JTQLQIEISA-N 0 0 383.267 2.739 10 0 GFAERN Cc1cc(Br)ccc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000119895676 655320019 /nfs/dbraw/zinc/32/00/19/655320019.db2.gz QUROQCUHHRZHTB-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)C1CCOCC1 ZINC000180024966 655320843 /nfs/dbraw/zinc/32/08/43/655320843.db2.gz DZHZOLQZRUANFN-JTQLQIEISA-N 0 0 391.283 2.825 10 0 GFAERN C[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000120442532 655336032 /nfs/dbraw/zinc/33/60/32/655336032.db2.gz PHZJRNIVNUBKEM-NSHDSACASA-N 0 0 395.308 2.728 10 0 GFAERN COc1ccc([C@@H](OC(=O)[C@@H]2CNC(=O)C2)C(F)(F)F)cc1Br ZINC000182099123 655342455 /nfs/dbraw/zinc/34/24/55/655342455.db2.gz WBFNEYDWYVLZDK-QPUJVOFHSA-N 0 0 396.159 2.740 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(F)c(Br)c1 ZINC000182475940 655344715 /nfs/dbraw/zinc/34/47/15/655344715.db2.gz QFVHTRLLUVERIY-CYBMUJFWSA-N 0 0 394.262 2.698 10 0 GFAERN CCOC(=O)C[C@H](NC(=O)C[C@@H](O)C(C)C)c1cccc(Br)c1 ZINC000184853897 655359840 /nfs/dbraw/zinc/35/98/40/655359840.db2.gz PHPVXYVUTWPDJJ-LSDHHAIUSA-N 0 0 386.286 2.967 10 0 GFAERN Cc1noc([C@@H](C)N2CCN(Cn3nc(C(F)(F)F)sc3=S)CC2)n1 ZINC000188681107 655381447 /nfs/dbraw/zinc/38/14/47/655381447.db2.gz XXSVHKMSNMZVIN-MRVPVSSYSA-N 0 0 394.448 2.721 10 0 GFAERN C[C@@H](NC(=O)N[C@@H](C)c1nnnn1C1CC1)c1ccccc1Br ZINC000190467075 655392297 /nfs/dbraw/zinc/39/22/97/655392297.db2.gz SRXBUFHCGIGFJF-ZJUUUORDSA-N 0 0 379.262 2.892 10 0 GFAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(Cl)cc1F ZINC000192599820 655406128 /nfs/dbraw/zinc/40/61/28/655406128.db2.gz MEDWEGJSBCDPIJ-SECBINFHSA-N 0 0 381.816 2.545 10 0 GFAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)N(C)Cc2ccc(Br)o2)C1 ZINC000222644955 655422203 /nfs/dbraw/zinc/42/22/03/655422203.db2.gz LXOUBSJFKOHDHZ-CQSZACIVSA-N 0 0 392.253 2.541 10 0 GFAERN O=S(=O)(/C=C\c1ccccc1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000229964848 655423423 /nfs/dbraw/zinc/42/34/23/655423423.db2.gz NPRJRXMCSUGKEG-RXXLQFRUSA-N 0 0 377.487 2.535 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000262748920 655446832 /nfs/dbraw/zinc/44/68/32/655446832.db2.gz XWDQKCNJIXIHGF-UHFFFAOYSA-N 0 0 376.400 2.966 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC000263103495 655449663 /nfs/dbraw/zinc/44/96/63/655449663.db2.gz JBPCROQRTGEYMX-UHFFFAOYSA-N 0 0 394.269 2.598 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2c(Cl)cccc2Cl)[C@H](O)C1 ZINC000702796713 655521926 /nfs/dbraw/zinc/52/19/26/655521926.db2.gz OHUIWFQLMCIJSW-ZWNOBZJWSA-N 0 0 389.279 2.951 10 0 GFAERN C[C@H](NC(=O)c1scc(Br)c1Br)c1cn(C)nn1 ZINC000720620001 655524490 /nfs/dbraw/zinc/52/44/90/655524490.db2.gz LRRBHGYRYHBIQP-YFKPBYRVSA-N 0 0 394.092 2.893 10 0 GFAERN C[C@H](NCc1ncc(Br)cc1Br)c1cn(C)nn1 ZINC000720534997 655524493 /nfs/dbraw/zinc/52/44/93/655524493.db2.gz BHXIDCAMMDPGPF-ZETCQYMHSA-N 0 0 375.068 2.586 10 0 GFAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)Cc1ccc(Br)cc1 ZINC000913093733 664322341 /nfs/dbraw/zinc/32/23/41/664322341.db2.gz RZYSSILHZUZAKU-CRAIPNDOSA-N 0 0 392.297 2.988 10 0 GFAERN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2ccccc2C1 ZINC000003959071 204022738 /nfs/dbraw/zinc/02/27/38/204022738.db2.gz HFRBMVLRESIWRX-QGZVFWFLSA-N 0 0 378.519 2.636 10 0 GFAERN CCOc1ccc(/C=C/C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000005367270 204128185 /nfs/dbraw/zinc/12/81/85/204128185.db2.gz CBNCODIOZPSHDI-PKNBQFBNSA-N 0 0 395.411 2.947 10 0 GFAERN O=S(=O)(c1ccc(Cl)cc1)c1ccc(N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005616418 204143037 /nfs/dbraw/zinc/14/30/37/204143037.db2.gz UTHRFSIDGAFSPM-CQSZACIVSA-N 0 0 385.894 2.772 10 0 GFAERN CC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000008979560 204295578 /nfs/dbraw/zinc/29/55/78/204295578.db2.gz LQFQFDQIXHECOS-LJQANCHMSA-N 0 0 386.473 2.989 10 0 GFAERN Cc1c(CN2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cnn1C ZINC000011816135 204353994 /nfs/dbraw/zinc/35/39/94/204353994.db2.gz CYIFLOXRQRWIKT-HXUWFJFHSA-N 0 0 378.480 2.907 10 0 GFAERN C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)C1 ZINC000012026317 204367182 /nfs/dbraw/zinc/36/71/82/204367182.db2.gz NJNRKYMYHNAMSC-OKILXGFUSA-N 0 0 378.494 2.507 10 0 GFAERN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCC(C)CC3)C2)c(C)c1 ZINC000020533115 204725826 /nfs/dbraw/zinc/72/58/26/204725826.db2.gz XGONYXIRZMTZGB-GOSISDBHSA-N 0 0 393.553 2.931 10 0 GFAERN CCc1ccc([C@H]2C[C@H](C(=O)NCCOC)CN(C(=O)c3ccoc3)C2)cc1 ZINC000034738452 204973415 /nfs/dbraw/zinc/97/34/15/204973415.db2.gz QUSWVUVCCTVBFD-PMACEKPBSA-N 0 0 384.476 2.851 10 0 GFAERN CCCNC(=O)[C@@H](NC(=O)CC(C)C)C1CCN(C(=O)c2cccs2)CC1 ZINC000036347009 205013006 /nfs/dbraw/zinc/01/30/06/205013006.db2.gz RXDMORZNBQJVGC-SFHVURJKSA-N 0 0 393.553 2.657 10 0 GFAERN Cn1c2c(nc(-c3cccc(Cl)c3)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000064965972 205203039 /nfs/dbraw/zinc/20/30/39/205203039.db2.gz UXWODRJGAZLYOD-UHFFFAOYSA-N 0 0 397.797 2.678 10 0 GFAERN C=C1C(N2CCC(NC(=O)[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239136 205220892 /nfs/dbraw/zinc/22/08/92/205220892.db2.gz PFOHCOFOLGLZFO-AWEZNQCLSA-N 0 0 389.521 2.786 10 0 GFAERN O=C(Nc1ccc(CN2CCOCC2)cc1)N1CC[C@@](O)(c2ccccc2)C1 ZINC000299776075 206188121 /nfs/dbraw/zinc/18/81/21/206188121.db2.gz MWYUEPCPKUSFFS-QFIPXVFZSA-N 0 0 381.476 2.644 10 0 GFAERN CC(C)[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)C2CC2)CC1 ZINC000036212732 221846646 /nfs/dbraw/zinc/84/66/46/221846646.db2.gz LOFWANHDDKKWBW-OXQOHEQNSA-N 0 0 399.535 2.594 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)c1ccc(=O)[nH]c1)CC2 ZINC000275529748 519469658 /nfs/dbraw/zinc/46/96/58/519469658.db2.gz CSIZZOFBOCDJKL-QGZVFWFLSA-N 0 0 385.489 2.892 10 0 GFAERN O=C([O-])[C@@H]1CCC[N@H+](Cc2nnn(-c3ccccc3F)c2-c2ccncc2)C1 ZINC000057345064 526272292 /nfs/dbraw/zinc/27/22/92/526272292.db2.gz XDLCRPYXMSRQMN-OAHLLOKOSA-N 0 0 381.411 2.765 10 0 GFAERN CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000504397676 526321969 /nfs/dbraw/zinc/32/19/69/526321969.db2.gz VRADRJBKILTRPZ-MHMYTENISA-N 0 0 388.552 2.785 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000015358986 551111060 /nfs/dbraw/zinc/11/10/60/551111060.db2.gz GMVVXHMWULUFPJ-SNVBAGLBSA-N 0 0 391.873 2.922 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCSCc1ccc(C)cc1 ZINC000028439862 551123862 /nfs/dbraw/zinc/12/38/62/551123862.db2.gz VJZICVPJLRRRKR-KRWDZBQOSA-N 0 0 384.567 2.549 10 0 GFAERN C[C@@H](NC(=O)CSCC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000042161930 551138624 /nfs/dbraw/zinc/13/86/24/551138624.db2.gz ZYHNKHHJRGQAAI-LLVKDONJSA-N 0 0 391.320 2.763 10 0 GFAERN C[C@@H](NC(=O)Nc1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000043134563 551141059 /nfs/dbraw/zinc/14/10/59/551141059.db2.gz DDQWZYVODCWEQV-SNVBAGLBSA-N 0 0 398.282 2.979 10 0 GFAERN C[C@H](NC(=O)CCOc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000046571184 551150796 /nfs/dbraw/zinc/15/07/96/551150796.db2.gz HMANMJRUYXGAOX-LBPRGKRZSA-N 0 0 382.869 2.634 10 0 GFAERN COC(=O)C[C@@H](NC(=O)NCc1ccccn1)c1cccc(Br)c1 ZINC000054540470 551169295 /nfs/dbraw/zinc/16/92/95/551169295.db2.gz YDLJDGLSHFQBQH-OAHLLOKOSA-N 0 0 392.253 2.948 10 0 GFAERN C[C@@H](CCc1ccc(Br)cc1)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000054648479 551169634 /nfs/dbraw/zinc/16/96/34/551169634.db2.gz BUCNXRNOYGWAGJ-GJZGRUSLSA-N 0 0 398.345 2.790 10 0 GFAERN COC(=O)C[C@H](NC(=O)NC[C@H]1CCCOC1)c1cccc(Br)c1 ZINC000054819469 551170867 /nfs/dbraw/zinc/17/08/67/551170867.db2.gz RGKVDOHOAFALHG-DOMZBBRYSA-N 0 0 399.285 2.779 10 0 GFAERN OC[C@H]1CCCN1c1cc(NCc2cc(F)cc(Br)c2)ncn1 ZINC000110254752 551203433 /nfs/dbraw/zinc/20/34/33/551203433.db2.gz LMEJSFXUZFXTCE-CQSZACIVSA-N 0 0 381.249 2.951 10 0 GFAERN CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116319307 551211612 /nfs/dbraw/zinc/21/16/12/551211612.db2.gz ATODXMKZFMCCAW-GFCCVEGCSA-N 0 0 397.342 2.692 10 0 GFAERN Cn1cc([C@H]2CCN(S(=O)(=O)/C=C/c3cccc(Br)c3)C2)cn1 ZINC000116371106 551213490 /nfs/dbraw/zinc/21/34/90/551213490.db2.gz QWASKBHFPJMHQV-OWNNVSBGSA-N 0 0 396.310 2.973 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)c2[nH]c3ccccc3c2Br)n1 ZINC000120961748 551223864 /nfs/dbraw/zinc/22/38/64/551223864.db2.gz ZCVHLLAARMMZOO-LBPRGKRZSA-N 0 0 391.225 2.836 10 0 GFAERN Brc1cc(CN2CC[C@@H](N3CCOCC3)C2)cc2c1OCCCO2 ZINC000120957576 551223868 /nfs/dbraw/zinc/22/38/68/551223868.db2.gz FKSFIZSEBODRPI-OAHLLOKOSA-N 0 0 397.313 2.517 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)CSCC(F)(F)F)N2CCOCC2)s1 ZINC000121184821 551229046 /nfs/dbraw/zinc/22/90/46/551229046.db2.gz DHUBTQHHXHGUCO-GFCCVEGCSA-N 0 0 382.473 2.842 10 0 GFAERN CCOc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)cc1Br ZINC000121326173 551232247 /nfs/dbraw/zinc/23/22/47/551232247.db2.gz MWRSMDIHSJQOJY-BXUZGUMPSA-N 0 0 392.315 2.677 10 0 GFAERN Cc1nn(C)c(C)c1CN1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000121460401 551234947 /nfs/dbraw/zinc/23/49/47/551234947.db2.gz BPBNQMAUVQBBDY-UHFFFAOYSA-N 0 0 393.329 2.823 10 0 GFAERN Cc1cccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1Br ZINC000121899478 551292100 /nfs/dbraw/zinc/29/21/00/551292100.db2.gz AIFGGYFXNCQHDF-CYBMUJFWSA-N 0 0 375.270 2.946 10 0 GFAERN O=C(c1ccccc1I)N1CC[C@H](Oc2cccnc2)C1 ZINC000123102248 551303114 /nfs/dbraw/zinc/30/31/14/551303114.db2.gz WSYIPNUHBBDTPI-ZDUSSCGKSA-N 0 0 394.212 2.980 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1F)CC2 ZINC000124218731 551312447 /nfs/dbraw/zinc/31/24/47/551312447.db2.gz OAUFJOGHWSCXGN-ZDUSSCGKSA-N 0 0 386.880 2.628 10 0 GFAERN Cc1nc(C[C@H]2CCCN(C(=O)c3cc(Br)c(C)[nH]c3=O)C2)no1 ZINC000126285185 551327764 /nfs/dbraw/zinc/32/77/64/551327764.db2.gz NFWANGNBIZOONA-LLVKDONJSA-N 0 0 395.257 2.644 10 0 GFAERN COc1cc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)sc1Br ZINC000126739799 551332208 /nfs/dbraw/zinc/33/22/08/551332208.db2.gz ZWLQJDIJWAOGMU-SECBINFHSA-N 0 0 399.314 2.979 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccc(Br)c(F)c3)CCO2)c1 ZINC000131549100 551374759 /nfs/dbraw/zinc/37/47/59/551374759.db2.gz VEOCLNFMMDETFE-AWEZNQCLSA-N 0 0 396.260 2.563 10 0 GFAERN Cc1cc(OC[C@@H](O)CN2CCS(=O)(=O)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000151059107 551406586 /nfs/dbraw/zinc/40/65/86/551406586.db2.gz LCKZESVKESKBHQ-CABCVRRESA-N 0 0 389.945 2.630 10 0 GFAERN COc1ccc(Br)c(CC(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000152819704 551440527 /nfs/dbraw/zinc/44/05/27/551440527.db2.gz DINCWPOLLREMGK-ZDUSSCGKSA-N 0 0 393.285 2.531 10 0 GFAERN CCOc1c(Br)cc(CN2CCC[C@H](NC(C)=O)C2)cc1OC ZINC000153832470 551461623 /nfs/dbraw/zinc/46/16/23/551461623.db2.gz QIIVKUCHHJGVPI-AWEZNQCLSA-N 0 0 385.302 2.957 10 0 GFAERN O=C(c1ccc(Br)c(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000154094595 551467400 /nfs/dbraw/zinc/46/74/00/551467400.db2.gz ZSTFMURUGLJQBJ-GFCCVEGCSA-N 0 0 384.661 2.840 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1cc(Br)ccc1F)CC2 ZINC000154720934 551481444 /nfs/dbraw/zinc/48/14/44/551481444.db2.gz SCQLHRZBZSGAFM-ZDUSSCGKSA-N 0 0 395.276 2.977 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)C2)no1 ZINC000154942918 551486315 /nfs/dbraw/zinc/48/63/15/551486315.db2.gz ZPGAFZFARNAOLN-LBPRGKRZSA-N 0 0 387.864 2.955 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000155271046 551496266 /nfs/dbraw/zinc/49/62/66/551496266.db2.gz ZIIVEBIDTQWIRU-UFBFGSQYSA-N 0 0 375.650 2.725 10 0 GFAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000155291698 551496629 /nfs/dbraw/zinc/49/66/29/551496629.db2.gz BQSJTSOYCIMLLJ-AWEZNQCLSA-N 0 0 378.523 2.643 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)CCc2ccc(Br)c(C)c2)n1 ZINC000155478429 551500272 /nfs/dbraw/zinc/50/02/72/551500272.db2.gz VBKSRROKAFIPGI-HNNXBMFYSA-N 0 0 394.269 2.982 10 0 GFAERN COc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1I ZINC000156154631 551515819 /nfs/dbraw/zinc/51/58/19/551515819.db2.gz FZGGYAPUIGSZFK-AAEUAGOBSA-N 0 0 389.233 2.581 10 0 GFAERN Cc1cccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c1Br ZINC000156710466 551527099 /nfs/dbraw/zinc/52/70/99/551527099.db2.gz YVRVJKRTHFMCOQ-CQSZACIVSA-N 0 0 397.294 2.995 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(C)c(Br)cc1C)CC2 ZINC000156924145 551530833 /nfs/dbraw/zinc/53/08/33/551530833.db2.gz OAIUNHMWPQZZSO-GFCCVEGCSA-N 0 0 377.286 2.965 10 0 GFAERN COc1cc(CNC(=O)N[C@@H](C)[C@@H]2CCCO2)cc(Br)c1OC ZINC000157215248 551534899 /nfs/dbraw/zinc/53/48/99/551534899.db2.gz UOBXELNBOWRYHL-GWCFXTLKSA-N 0 0 387.274 2.833 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000158570736 551554044 /nfs/dbraw/zinc/55/40/44/551554044.db2.gz YWMJKZSZTGAEPW-NOZJJQNGSA-N 0 0 378.778 2.965 10 0 GFAERN COC(=O)[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1cccc(Br)c1 ZINC000158984553 551559701 /nfs/dbraw/zinc/55/97/01/551559701.db2.gz ATXFUYCFELXOOZ-NHYWBVRUSA-N 0 0 393.285 2.942 10 0 GFAERN C[C@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CCS1 ZINC000162192230 551604819 /nfs/dbraw/zinc/60/48/19/551604819.db2.gz XVEITAZECROOGK-JTQLQIEISA-N 0 0 379.345 2.641 10 0 GFAERN C[C@@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccc(Br)cc1 ZINC000162534802 551609185 /nfs/dbraw/zinc/60/91/85/551609185.db2.gz IIGAFPMQLWEDAT-CJNGLKHVSA-N 0 0 378.270 2.677 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)CSc1cccc(Br)c1)CC2 ZINC000162921935 551614063 /nfs/dbraw/zinc/61/40/63/551614063.db2.gz NUSUJNRDLZMWLK-GFCCVEGCSA-N 0 0 395.326 2.826 10 0 GFAERN Cc1[nH]c(=O)c(C(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1Br ZINC000163195031 551617258 /nfs/dbraw/zinc/61/72/58/551617258.db2.gz UEFDCOUKGOPAGR-GFCCVEGCSA-N 0 0 378.226 2.547 10 0 GFAERN CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H](CO)c2ccccc2)c1 ZINC000163234923 551617789 /nfs/dbraw/zinc/61/77/89/551617789.db2.gz OURRTTNDPSOUFW-OAHLLOKOSA-N 0 0 399.310 2.527 10 0 GFAERN C[C@H](NC(=O)N1CCN(c2cccnn2)CC1)c1ccccc1Br ZINC000171178026 551648849 /nfs/dbraw/zinc/64/88/49/551648849.db2.gz ORRGAGHTHBKCOU-ZDUSSCGKSA-N 0 0 390.285 2.832 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)c1ccc(Cl)s1 ZINC000171225434 551650268 /nfs/dbraw/zinc/65/02/68/551650268.db2.gz NEZVHZMCHVAPAZ-SNVBAGLBSA-N 0 0 375.841 2.798 10 0 GFAERN CC(C)c1nnc(CN(CCO)Cc2cc(Br)ccc2F)n1C ZINC000171384042 551654160 /nfs/dbraw/zinc/65/41/60/551654160.db2.gz FUNMWLGOTIKTHS-UHFFFAOYSA-N 0 0 385.281 2.835 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CCS1 ZINC000171471951 551656298 /nfs/dbraw/zinc/65/62/98/551656298.db2.gz QLQWLLLUWHVNKX-VIFPVBQESA-N 0 0 380.363 2.669 10 0 GFAERN CCOCCN1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1C ZINC000172219271 551673782 /nfs/dbraw/zinc/67/37/82/551673782.db2.gz MKZAEJXFYLBCNI-GFCCVEGCSA-N 0 0 395.301 2.508 10 0 GFAERN COCCN1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000172321916 551676061 /nfs/dbraw/zinc/67/60/61/551676061.db2.gz GMJSGTUNMZGFHZ-KBPBESRZSA-N 0 0 384.318 2.872 10 0 GFAERN O=C(CCSc1ccc(Br)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172743386 551686362 /nfs/dbraw/zinc/68/63/62/551686362.db2.gz FTIIWYBVQIAMRI-HNNXBMFYSA-N 0 0 399.354 2.864 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(Br)cn1 ZINC000173629696 552089234 /nfs/dbraw/zinc/08/92/34/552089234.db2.gz NYDDRBPZNIAQPL-LBPRGKRZSA-N 0 0 384.274 2.973 10 0 GFAERN O=C(NCc1cc(F)cc(Br)c1)N1CCC[C@H](n2cncn2)C1 ZINC000174212227 552102423 /nfs/dbraw/zinc/10/24/23/552102423.db2.gz IQBSJOPECTVZKJ-AWEZNQCLSA-N 0 0 382.237 2.726 10 0 GFAERN COCc1csc(NC(=O)N2CCCN(Cc3csc(C)n3)CC2)n1 ZINC000174400440 552103670 /nfs/dbraw/zinc/10/36/70/552103670.db2.gz BEEIHLRWWPZFCQ-UHFFFAOYSA-N 0 0 381.527 2.794 10 0 GFAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(Cl)ccc3Cl)C2=O)n(C)n1 ZINC000174980233 552112950 /nfs/dbraw/zinc/11/29/50/552112950.db2.gz PEMIKXYWNCTOJE-AWEZNQCLSA-N 0 0 381.263 2.961 10 0 GFAERN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)s1 ZINC000175016220 552113450 /nfs/dbraw/zinc/11/34/50/552113450.db2.gz CROMZGFZVXUVSP-WDEREUQCSA-N 0 0 381.889 2.691 10 0 GFAERN CCc1nnc(NC(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)s1 ZINC000175086127 552115396 /nfs/dbraw/zinc/11/53/96/552115396.db2.gz AIKBEMIRQPQXKB-VXGBXAGGSA-N 0 0 381.527 2.746 10 0 GFAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ccc(S(C)(=O)=O)nc3)C2)n1 ZINC000175101679 552115941 /nfs/dbraw/zinc/11/59/41/552115941.db2.gz JHHLFLDPHRZPJW-LBPRGKRZSA-N 0 0 380.495 2.662 10 0 GFAERN C[C@H](NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)c1cccc(Br)c1 ZINC000175663129 552126318 /nfs/dbraw/zinc/12/63/18/552126318.db2.gz DBXBQSWHNYOCEP-JKIFEVAISA-N 0 0 396.329 2.872 10 0 GFAERN C[C@H](NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1cccc(Br)c1 ZINC000175663094 552126304 /nfs/dbraw/zinc/12/63/04/552126304.db2.gz DBXBQSWHNYOCEP-KEYYUXOJSA-N 0 0 396.329 2.872 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCc2cccc(Br)c2C1 ZINC000175872040 552130977 /nfs/dbraw/zinc/13/09/77/552130977.db2.gz NRIMYABRLQHYGP-OAHLLOKOSA-N 0 0 390.285 2.952 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000175880724 552131609 /nfs/dbraw/zinc/13/16/09/552131609.db2.gz XJAYIKRIRZLKSK-DOMZBBRYSA-N 0 0 398.301 2.546 10 0 GFAERN CNc1snc(C)c1C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000176562677 552141420 /nfs/dbraw/zinc/14/14/20/552141420.db2.gz SFEQHXQZAKKCKF-ZDUSSCGKSA-N 0 0 380.539 2.666 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000177182968 552151205 /nfs/dbraw/zinc/15/12/05/552151205.db2.gz GYHXEYVROBJQOD-ZDUSSCGKSA-N 0 0 381.885 2.553 10 0 GFAERN O=C(NCCc1ccc(F)c(Br)c1)N[C@@H]1CCCn2ncnc21 ZINC000177312409 552152935 /nfs/dbraw/zinc/15/29/35/552152935.db2.gz MXOXKWNBQOOHIR-CYBMUJFWSA-N 0 0 382.237 2.557 10 0 GFAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(Br)cc3)C2)c1 ZINC000177668163 552156649 /nfs/dbraw/zinc/15/66/49/552156649.db2.gz FQTNDZLVIIXUMA-OAHLLOKOSA-N 0 0 391.269 2.756 10 0 GFAERN Cc1cc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1Br ZINC000177691506 552156886 /nfs/dbraw/zinc/15/68/86/552156886.db2.gz YTDYBXDGNBIMMR-CJNGLKHVSA-N 0 0 382.302 2.942 10 0 GFAERN CNC(=O)[C@H](NC(=O)CCc1nc2cc(Br)ccc2s1)C(C)C ZINC000178703631 552173885 /nfs/dbraw/zinc/17/38/85/552173885.db2.gz LGOWSCXVJANGIU-OAHLLOKOSA-N 0 0 398.326 2.878 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1cc(C)nc2cc(Br)ccc21)C(C)C ZINC000178847320 552176945 /nfs/dbraw/zinc/17/69/45/552176945.db2.gz DOGPIMKMGRNRLF-OAHLLOKOSA-N 0 0 378.270 2.806 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1cc(F)ccc1Br)CC2 ZINC000178914215 552179250 /nfs/dbraw/zinc/17/92/50/552179250.db2.gz YEFLYQOPVFAXEO-ZDUSSCGKSA-N 0 0 395.276 2.977 10 0 GFAERN CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2CO)nnc1-c1cccs1 ZINC000179226298 552187897 /nfs/dbraw/zinc/18/78/97/552187897.db2.gz JIHJFXIRQMTSBV-CHWSQXEVSA-N 0 0 380.539 2.786 10 0 GFAERN COc1cc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)sc1Br ZINC000179252591 552187931 /nfs/dbraw/zinc/18/79/31/552187931.db2.gz KTEDSJZTIAGCMG-SECBINFHSA-N 0 0 399.314 2.979 10 0 GFAERN CNC(=O)[C@H](NC(=O)Nc1cnn(-c2ccccc2Br)c1)C(C)C ZINC000179366189 552191060 /nfs/dbraw/zinc/19/10/60/552191060.db2.gz XYNMPZOXDVCURT-CQSZACIVSA-N 0 0 394.273 2.527 10 0 GFAERN CCc1nnc(CN[C@H](C)c2cc3c(cc2Br)OCCO3)n1C ZINC000180462890 552227027 /nfs/dbraw/zinc/22/70/27/552227027.db2.gz YMTMTYMPZPWUQM-SNVBAGLBSA-N 0 0 381.274 2.762 10 0 GFAERN Cc1cc(S(=O)(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c(Cl)cc1F ZINC000181727172 552266256 /nfs/dbraw/zinc/26/62/56/552266256.db2.gz LQUQIUHMKPGDBY-NSHDSACASA-N 0 0 386.880 2.796 10 0 GFAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1sccc1S(=O)(=O)N(C)C)[C@@H](C)C2 ZINC000182230109 552279108 /nfs/dbraw/zinc/27/91/08/552279108.db2.gz ACHRAHMHWJKGGC-LRDDRELGSA-N 0 0 378.519 2.970 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cnc(Br)c(C)c1 ZINC000182426831 552283792 /nfs/dbraw/zinc/28/37/92/552283792.db2.gz YYVSOVQOTYFTFQ-LLVKDONJSA-N 0 0 379.262 2.963 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCS[C@H](C)C2)nn1-c1ccccc1Cl ZINC000183128989 552301022 /nfs/dbraw/zinc/30/10/22/552301022.db2.gz MHLOHTNPWUGVIN-GFCCVEGCSA-N 0 0 378.885 2.737 10 0 GFAERN C[C@@H](NC(=O)c1cn(CC2(C)COC2)nn1)c1ccccc1Br ZINC000183795895 552319250 /nfs/dbraw/zinc/31/92/50/552319250.db2.gz CPYAWKZMFSKUCV-LLVKDONJSA-N 0 0 379.258 2.568 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)Nc2cccnc2Br)C12CCOCC2 ZINC000184537298 552338179 /nfs/dbraw/zinc/33/81/79/552338179.db2.gz JJRWTGJNSNUVFE-STQMWFEESA-N 0 0 384.274 2.940 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)C12CCOCC2 ZINC000185146812 552355516 /nfs/dbraw/zinc/35/55/16/552355516.db2.gz PDPWGNFMEULYHV-HOTGVXAUSA-N 0 0 391.892 2.873 10 0 GFAERN CN(CCS(C)(=O)=O)C(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000185180885 552356512 /nfs/dbraw/zinc/35/65/12/552356512.db2.gz YXDYPGUXCHJBJE-UKRRQHHQSA-N 0 0 394.320 2.964 10 0 GFAERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)c1ccc(F)c(Cl)c1 ZINC000185368555 552361769 /nfs/dbraw/zinc/36/17/69/552361769.db2.gz UHPUQQXVFKWRGM-SNVBAGLBSA-N 0 0 385.848 2.615 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)CCc3ccc(C)cc3Br)CCO2)[nH]1 ZINC000185552988 552365635 /nfs/dbraw/zinc/36/56/35/552365635.db2.gz GTAZJLYLLHSYMB-OAHLLOKOSA-N 0 0 393.285 2.717 10 0 GFAERN Cc1c(Cl)cccc1NC(=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186267612 552383187 /nfs/dbraw/zinc/38/31/87/552383187.db2.gz WDBCSJOEXYKINY-KBPBESRZSA-N 0 0 378.881 2.883 10 0 GFAERN Cc1c(Br)cccc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000186656330 552393520 /nfs/dbraw/zinc/39/35/20/552393520.db2.gz JQZNJEUACUGCGY-ZDUSSCGKSA-N 0 0 383.286 2.769 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000187647682 552420684 /nfs/dbraw/zinc/42/06/84/552420684.db2.gz XUZOTCGUYRGBMJ-QGZVFWFLSA-N 0 0 392.253 2.803 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1c(F)cccc1I ZINC000187651820 552421343 /nfs/dbraw/zinc/42/13/43/552421343.db2.gz VYBBQYSMQFGNDM-CQSZACIVSA-N 0 0 391.180 2.598 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000188086226 552434057 /nfs/dbraw/zinc/43/40/57/552434057.db2.gz QGJRHSCEUCUKDQ-LLVKDONJSA-N 0 0 376.869 2.632 10 0 GFAERN O=C(NC1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C1)C1CCC1 ZINC000188550731 552447586 /nfs/dbraw/zinc/44/75/86/552447586.db2.gz OUBQYINYVXPFBS-HZPDHXFCSA-N 0 0 377.282 2.680 10 0 GFAERN COc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188880466 552457429 /nfs/dbraw/zinc/45/74/29/552457429.db2.gz HBKQTZQSPSREQE-JSGCOSHPSA-N 0 0 387.910 2.807 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000189063999 552461999 /nfs/dbraw/zinc/46/19/99/552461999.db2.gz KPIKCSMPRDUDAS-BFHYXJOUSA-N 0 0 386.235 2.707 10 0 GFAERN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189364859 552469491 /nfs/dbraw/zinc/46/94/91/552469491.db2.gz QZSIRXPNAOFDDZ-SNVBAGLBSA-N 0 0 383.261 2.504 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000190692468 552506292 /nfs/dbraw/zinc/50/62/92/552506292.db2.gz UMTCFRCLDALQFL-NSHDSACASA-N 0 0 392.244 2.648 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000191205165 552521584 /nfs/dbraw/zinc/52/15/84/552521584.db2.gz GUAGTAXMLBGNPJ-GFCCVEGCSA-N 0 0 382.302 2.647 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000191205180 552521777 /nfs/dbraw/zinc/52/17/77/552521777.db2.gz GUAGTAXMLBGNPJ-LBPRGKRZSA-N 0 0 382.302 2.647 10 0 GFAERN COC(=O)C[C@H](NC(=O)CCc1ccncn1)c1cccc(Br)c1 ZINC000191570679 552531775 /nfs/dbraw/zinc/53/17/75/552531775.db2.gz AHAPHKSFLDVFMW-HNNXBMFYSA-N 0 0 392.253 2.592 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)COc3ccc(Br)cc3)CCO2)cn1 ZINC000191713073 552535554 /nfs/dbraw/zinc/53/55/54/552535554.db2.gz PHYSSFHCNYBHJW-MRXNPFEDSA-N 0 0 394.269 2.644 10 0 GFAERN CCn1cc([C@@H]2CN(Cc3cc4c(c(Br)c3)OCO4)CCO2)cn1 ZINC000191713442 552535664 /nfs/dbraw/zinc/53/56/64/552535664.db2.gz VDENIYFOHZQEEA-INIZCTEOSA-N 0 0 394.269 2.968 10 0 GFAERN CCn1cc([C@H]2CN(Cc3cc4c(cc3Br)OCO4)CCO2)cn1 ZINC000191715438 552535688 /nfs/dbraw/zinc/53/56/88/552535688.db2.gz AREVEAMOZMWEHC-QGZVFWFLSA-N 0 0 394.269 2.968 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(Br)c(F)cc1F)CC2 ZINC000192119726 552551954 /nfs/dbraw/zinc/55/19/54/552551954.db2.gz JRTYMJZXJWYXML-MRVPVSSYSA-N 0 0 385.212 2.626 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)c2ncc(Br)s2)C12CCOCC2 ZINC000192498930 552565859 /nfs/dbraw/zinc/56/58/59/552565859.db2.gz GYOIYBIPRLCUIQ-VHSXEESVSA-N 0 0 375.288 2.610 10 0 GFAERN Cc1c(Br)ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)c1F ZINC000193091314 552983121 /nfs/dbraw/zinc/98/31/21/552983121.db2.gz AMCBCKMSAFOIJH-JQWIXIFHSA-N 0 0 387.249 2.502 10 0 GFAERN O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000193449580 552993648 /nfs/dbraw/zinc/99/36/48/552993648.db2.gz RSVKUQKXQJCWAF-DZGCQCFKSA-N 0 0 395.297 2.544 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccccc1-n1ccnn1)c1ccc(Cl)s1 ZINC000193600478 552998268 /nfs/dbraw/zinc/99/82/68/552998268.db2.gz ZKCLJQSMYRQNQE-JTQLQIEISA-N 0 0 375.841 2.798 10 0 GFAERN O=C(c1cc(I)ccc1O)N1CCO[C@H]2CCCC[C@H]21 ZINC000193594028 552998289 /nfs/dbraw/zinc/99/82/89/552998289.db2.gz BJNQRBKFUVYJRW-OCCSQVGLSA-N 0 0 387.217 2.780 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCO[C@@H](c2nccs2)C1 ZINC000194291048 553016981 /nfs/dbraw/zinc/01/69/81/553016981.db2.gz KQSAKANNJXGHKI-UONOGXRCSA-N 0 0 395.278 2.809 10 0 GFAERN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246464167 553107578 /nfs/dbraw/zinc/10/75/78/553107578.db2.gz NPODOVBSXMNSEQ-IIYDPXPESA-N 0 0 386.323 2.973 10 0 GFAERN COCCN1C[C@H](C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1=O ZINC000248314115 553128250 /nfs/dbraw/zinc/12/82/50/553128250.db2.gz ZYMZCRIJIFTZIW-YWPYICTPSA-N 0 0 385.291 2.708 10 0 GFAERN CC[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CC[N@@H+]1C[C@H](C)O ZINC000249161665 553140309 /nfs/dbraw/zinc/14/03/09/553140309.db2.gz ZYXJWJNIHSGVEB-LSDHHAIUSA-N 0 0 395.341 2.784 10 0 GFAERN O=S(=O)(c1c(F)cc(F)cc1F)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249481499 553143888 /nfs/dbraw/zinc/14/38/88/553143888.db2.gz VTCRVZVNKWMFOV-JQWIXIFHSA-N 0 0 377.409 2.562 10 0 GFAERN C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H](C)O1 ZINC000253358691 553151096 /nfs/dbraw/zinc/15/10/96/553151096.db2.gz QWHMYDBWZMLUBV-NQBHXWOUSA-N 0 0 378.694 2.951 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)[C@H]2SCCc3sccc32)C1 ZINC000262711907 553173993 /nfs/dbraw/zinc/17/39/93/553173993.db2.gz LYIUMIYJLJJYGI-FVKWTLKZSA-N 0 0 380.535 2.522 10 0 GFAERN C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262891832 553177812 /nfs/dbraw/zinc/17/78/12/553177812.db2.gz CNLSNTPWZLKXSY-ZWKOPEQDSA-N 0 0 378.778 2.540 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Br)cs2)CC1 ZINC000262936715 553179146 /nfs/dbraw/zinc/17/91/46/553179146.db2.gz MWTNEFHZLUHVFO-LLVKDONJSA-N 0 0 375.288 2.522 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(C)sc2Br)CC1 ZINC000263019089 553180719 /nfs/dbraw/zinc/18/07/19/553180719.db2.gz ZVAHXANHJXXQCW-UHFFFAOYSA-N 0 0 389.315 2.830 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000263096782 553182565 /nfs/dbraw/zinc/18/25/65/553182565.db2.gz UAQAWVDIKZKEFH-UHFFFAOYSA-N 0 0 388.237 2.647 10 0 GFAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000282134999 563399086 /nfs/dbraw/zinc/39/90/86/563399086.db2.gz OMGVRLPHUZROHZ-CPCISQLKSA-N 0 0 390.075 2.609 10 0 GFAERN Cn1ncc(N2CCC(Nc3ccccc3F)CC2)c(Br)c1=O ZINC000301411866 563403076 /nfs/dbraw/zinc/40/30/76/563403076.db2.gz KMARHDAVTKNBGO-UHFFFAOYSA-N 0 0 381.249 2.763 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCN(c3nc(C4CC4)ns3)CC2)c(C)c1 ZINC000301576890 563407420 /nfs/dbraw/zinc/40/74/20/563407420.db2.gz MNEPBYONMSXJIW-UHFFFAOYSA-N 0 0 378.523 2.543 10 0 GFAERN CCOc1ccc(S(=O)(=O)N2CCN(c3ccncc3Cl)CC2)cc1 ZINC000301601020 563408312 /nfs/dbraw/zinc/40/83/12/563408312.db2.gz VEOMRYHLEHGMGR-UHFFFAOYSA-N 0 0 381.885 2.645 10 0 GFAERN O=C(Nc1nncs1)c1ccc(N[C@@H](CO)c2ccc(Cl)cc2)nc1 ZINC000301965798 563417366 /nfs/dbraw/zinc/41/73/66/563417366.db2.gz XIODQXIDBIHLTF-ZDUSSCGKSA-N 0 0 375.841 2.984 10 0 GFAERN O=c1c(Cl)c(Cl)cnn1-c1ccc(NCCn2ccnn2)c(Cl)c1 ZINC000302145359 563422278 /nfs/dbraw/zinc/42/22/78/563422278.db2.gz GLSUAPQIDDPUTM-UHFFFAOYSA-N 0 0 385.642 2.896 10 0 GFAERN Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3csc4ccc(Cl)cc43)C2)n1 ZINC000328613808 563461882 /nfs/dbraw/zinc/46/18/82/563461882.db2.gz UEQDZUVAPVMBQU-OAHLLOKOSA-N 0 0 399.881 2.528 10 0 GFAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(Br)sc1Br ZINC000392933951 563527808 /nfs/dbraw/zinc/52/78/08/563527808.db2.gz QLRXUKFITDKKQC-VDTYLAMSSA-N 0 0 396.104 2.670 10 0 GFAERN O=C(c1cccc(F)c1I)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000571263954 564543082 /nfs/dbraw/zinc/54/30/82/564543082.db2.gz FLEDFYURBQYZTE-DCAQKATOSA-N 0 0 389.208 2.663 10 0 GFAERN Cc1nc(C)c(C)c(N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000035794745 570449449 /nfs/dbraw/zinc/44/94/49/570449449.db2.gz WHEBNPFMYUTGPJ-RMKNXTFCSA-N 0 0 381.436 2.672 10 0 GFAERN CN1c2ccccc2C(=O)NC12CCN(C(=O)NCCc1ccccc1)CC2 ZINC000065235318 570860646 /nfs/dbraw/zinc/86/06/46/570860646.db2.gz PBHKRFLGKSJZSX-UHFFFAOYSA-N 0 0 378.476 2.611 10 0 GFAERN COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000015791149 654512648 /nfs/dbraw/zinc/51/26/48/654512648.db2.gz FLEXYOOWOOIUHX-LBPRGKRZSA-N 0 0 382.869 2.906 10 0 GFAERN Cc1ccc([C@@H](C)NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)o1 ZINC000023305855 654537232 /nfs/dbraw/zinc/53/72/32/654537232.db2.gz QJGAXQBHAFLNDU-SNVBAGLBSA-N 0 0 391.221 2.824 10 0 GFAERN Cc1cc(Cl)ccc1OC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000029467926 654577641 /nfs/dbraw/zinc/57/76/41/654577641.db2.gz FGILXUUQKWYNCF-NSHDSACASA-N 0 0 378.837 2.681 10 0 GFAERN CCN(CC)C(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000048724869 654712106 /nfs/dbraw/zinc/71/21/06/654712106.db2.gz LBPJBTVOYWAECK-UHFFFAOYSA-N 0 0 380.613 2.752 10 0 GFAERN Cc1ccc(Cl)c(OC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c1 ZINC000123845121 654765168 /nfs/dbraw/zinc/76/51/68/654765168.db2.gz DSOXJUAFDXHQGD-NSHDSACASA-N 0 0 378.837 2.681 10 0 GFAERN O=S(=O)(Cc1cc(Cl)ccc1F)N1CCO[C@@H](c2nccs2)C1 ZINC000124043075 654769633 /nfs/dbraw/zinc/76/96/33/654769633.db2.gz XQVMWXVELQUETL-CYBMUJFWSA-N 0 0 376.862 2.839 10 0 GFAERN COc1ccc(Br)c(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000127833834 654835324 /nfs/dbraw/zinc/83/53/24/654835324.db2.gz NCJLRJFYIPRENJ-GFCCVEGCSA-N 0 0 379.258 2.602 10 0 GFAERN Cc1cc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)ccc1Br ZINC000132688068 654945859 /nfs/dbraw/zinc/94/58/59/654945859.db2.gz PQHZWMBMVGXJEN-AWEZNQCLSA-N 0 0 397.294 2.995 10 0 GFAERN O=C(Nc1cccc(F)c1I)N[C@@H]1CCCC[C@@H]1O ZINC000133545490 654966793 /nfs/dbraw/zinc/96/67/93/654966793.db2.gz XMZPRXFODXPDCB-KOLCDFICSA-N 0 0 378.185 2.855 10 0 GFAERN Cc1nn(C)c(Cl)c1CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000069218050 654977568 /nfs/dbraw/zinc/97/75/68/654977568.db2.gz XTXOWYQYDSCLTH-WCQYABFASA-N 0 0 383.901 2.563 10 0 GFAERN NC(=O)c1c(F)cc(Br)cc1N1CCO[C@H](c2nccs2)C1 ZINC000092829518 655015768 /nfs/dbraw/zinc/01/57/68/655015768.db2.gz UABRHYCVNNBASP-NSHDSACASA-N 0 0 386.246 2.722 10 0 GFAERN O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CC2(Cl)Cl)C1)[C@H]1CC1(Cl)Cl ZINC000136494414 655032260 /nfs/dbraw/zinc/03/22/60/655032260.db2.gz PNVZZWPBFONVDR-IVZWLZJFSA-N 0 0 388.122 2.729 10 0 GFAERN Cn1cc(CCCNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)cn1 ZINC000102661822 655057562 /nfs/dbraw/zinc/05/75/62/655057562.db2.gz WLXJSYQEOCGRBN-UHFFFAOYSA-N 0 0 379.429 2.943 10 0 GFAERN CS(=O)(=O)c1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1 ZINC000102662283 655057572 /nfs/dbraw/zinc/05/75/72/655057572.db2.gz ZWNQGCMJOLEALA-UHFFFAOYSA-N 0 0 394.499 2.528 10 0 GFAERN C[C@H]1CN(C(=O)c2ccnc(Cl)c2I)CCS1 ZINC000152392002 655058961 /nfs/dbraw/zinc/05/89/61/655058961.db2.gz ZRHYGLRZQZWUMQ-ZETCQYMHSA-N 0 0 382.654 2.917 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000103477075 655073141 /nfs/dbraw/zinc/07/31/41/655073141.db2.gz RUJWAGKVWGTYKQ-ZDUSSCGKSA-N 0 0 381.933 2.851 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000103477073 655073226 /nfs/dbraw/zinc/07/32/26/655073226.db2.gz RUJWAGKVWGTYKQ-CYBMUJFWSA-N 0 0 381.933 2.851 10 0 GFAERN Cc1ccc(OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(Br)n1 ZINC000155414563 655084140 /nfs/dbraw/zinc/08/41/40/655084140.db2.gz MHLFGZZQQLSGBM-JTQLQIEISA-N 0 0 389.205 2.743 10 0 GFAERN Cn1nccc1C1CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000104681577 655084131 /nfs/dbraw/zinc/08/41/31/655084131.db2.gz IKPQYLGLSXBAQG-INIZCTEOSA-N 0 0 377.286 2.589 10 0 GFAERN CCC1(CC)NC(=O)N(CC(=O)N[C@H](C)c2cccc(Br)c2)C1=O ZINC000105845574 655099034 /nfs/dbraw/zinc/09/90/34/655099034.db2.gz XKQOHESJHMRDJB-LLVKDONJSA-N 0 0 396.285 2.737 10 0 GFAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1cccc(Cl)c1Cl ZINC000106070990 655101721 /nfs/dbraw/zinc/10/17/21/655101721.db2.gz ICZUNWLMGSXRPY-UHFFFAOYSA-N 0 0 380.279 2.934 10 0 GFAERN O[C@@H](CN1CCC(Nc2cccnn2)CC1)c1cccc(Br)c1 ZINC000106082240 655101980 /nfs/dbraw/zinc/10/19/80/655101980.db2.gz QDCHCRSPSACGLC-INIZCTEOSA-N 0 0 377.286 2.849 10 0 GFAERN Cc1ccc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)c(Br)c1 ZINC000106175589 655104495 /nfs/dbraw/zinc/10/44/95/655104495.db2.gz HVGNZEOYFSCVDV-CQSZACIVSA-N 0 0 392.301 2.700 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000106219441 655105320 /nfs/dbraw/zinc/10/53/20/655105320.db2.gz XTDXDHOWSVCARI-CQSZACIVSA-N 0 0 378.274 2.625 10 0 GFAERN C[C@H]1CN([C@@H](CNc2ncc(C(N)=O)cc2Cl)c2cccs2)CCO1 ZINC000109320654 655145011 /nfs/dbraw/zinc/14/50/11/655145011.db2.gz KTMFVAPQWTULDB-FZMZJTMJSA-N 0 0 380.901 2.769 10 0 GFAERN Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000170706702 655145257 /nfs/dbraw/zinc/14/52/57/655145257.db2.gz AUJVCJGVTBDOAZ-AWEZNQCLSA-N 0 0 375.222 2.946 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)CSCc3cccnc3)CC2)cs1 ZINC000109651461 655149918 /nfs/dbraw/zinc/14/99/18/655149918.db2.gz FJSWRUYJVCNCIZ-UHFFFAOYSA-N 0 0 376.551 2.814 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3ccc(F)cc3Br)CC2)cn1 ZINC000109659326 655150199 /nfs/dbraw/zinc/15/01/99/655150199.db2.gz ATUKBCGESNXYRI-UHFFFAOYSA-N 0 0 395.276 2.670 10 0 GFAERN O=C(CCc1nnc(-c2ccsc2)o1)N1CCO[C@@H](c2nccs2)C1 ZINC000110881873 655161023 /nfs/dbraw/zinc/16/10/23/655161023.db2.gz GSIJWFWNFMCAAH-GFCCVEGCSA-N 0 0 376.463 2.787 10 0 GFAERN CCn1c(=S)n(CN2CC[C@@H](N3CCOCC3)C2)nc1-c1cccs1 ZINC000172961133 655161579 /nfs/dbraw/zinc/16/15/79/655161579.db2.gz DYKQVABMKOMHRX-CQSZACIVSA-N 0 0 379.555 2.526 10 0 GFAERN S=c1[nH]c(-c2ccc(Cl)cc2)nn1CN1CC[C@H](N2CCOCC2)C1 ZINC000172960102 655161588 /nfs/dbraw/zinc/16/15/88/655161588.db2.gz MDMPFGKGAULFOY-HNNXBMFYSA-N 0 0 379.917 2.625 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3cncc(Br)c3)CC2)s1 ZINC000110942925 655162255 /nfs/dbraw/zinc/16/22/55/655162255.db2.gz CRLMKYUKYVYLJA-UHFFFAOYSA-N 0 0 381.299 2.567 10 0 GFAERN O=S(=O)(c1ccccc1Br)N1CCO[C@H](c2nccs2)C1 ZINC000111344042 655169322 /nfs/dbraw/zinc/16/93/22/655169322.db2.gz KGQCGIVVJXXJKX-NSHDSACASA-N 0 0 389.296 2.668 10 0 GFAERN O=S(=O)(c1ccccc1OC(F)F)N1CCO[C@@H](c2nccs2)C1 ZINC000111343918 655169402 /nfs/dbraw/zinc/16/94/02/655169402.db2.gz LYKZNRMYUGSYIF-LLVKDONJSA-N 0 0 376.406 2.507 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)Cc3sc(=S)[nH]c3C)CC2)n1 ZINC000112058003 655181267 /nfs/dbraw/zinc/18/12/67/655181267.db2.gz QNJJZJBIUZZLCO-LLVKDONJSA-N 0 0 381.527 2.507 10 0 GFAERN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)cc1Cl ZINC000173984130 655187962 /nfs/dbraw/zinc/18/79/62/655187962.db2.gz AZOSXDPNDGNWMH-JTQLQIEISA-N 0 0 391.280 2.619 10 0 GFAERN Cc1cc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c(C)cc1Br ZINC000173985310 655188297 /nfs/dbraw/zinc/18/82/97/655188297.db2.gz QLBDEKWGUVFUJZ-ZDUSSCGKSA-N 0 0 399.314 2.683 10 0 GFAERN O=C(CN1CCO[C@H](c2nccs2)C1)Nc1nc2ccc(F)cc2s1 ZINC000112340744 655188811 /nfs/dbraw/zinc/18/88/11/655188811.db2.gz MDODQHZZYVBXAQ-LBPRGKRZSA-N 0 0 378.454 2.904 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@@H]1C ZINC000174298457 655198067 /nfs/dbraw/zinc/19/80/67/655198067.db2.gz GAEVYNRXNYBGMM-WDEREUQCSA-N 0 0 375.694 2.630 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@@H]1C ZINC000174325856 655199270 /nfs/dbraw/zinc/19/92/70/655199270.db2.gz BBRKAPADSONSDT-UONOGXRCSA-N 0 0 383.330 2.640 10 0 GFAERN CNS(=O)(=O)c1cccc(C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000175487187 655221641 /nfs/dbraw/zinc/22/16/41/655221641.db2.gz BMTVNGCFXGJMBZ-NSHDSACASA-N 0 0 394.396 2.820 10 0 GFAERN COc1ccc(Br)cc1CNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000175731873 655226289 /nfs/dbraw/zinc/22/62/89/655226289.db2.gz AKJITJNMLRJVBX-ZDUSSCGKSA-N 0 0 394.273 2.692 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)C1(c3ccc(Br)cc3)CC1)CC2 ZINC000114865809 655230088 /nfs/dbraw/zinc/23/00/88/655230088.db2.gz ULAYQCABTHVANL-AWEZNQCLSA-N 0 0 389.297 2.766 10 0 GFAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000117521665 655265372 /nfs/dbraw/zinc/26/53/72/655265372.db2.gz UXFMEXNQQYFNPV-GFCCVEGCSA-N 0 0 388.295 2.501 10 0 GFAERN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177553541 655281182 /nfs/dbraw/zinc/28/11/82/655281182.db2.gz KXVCXRIFNSGSHS-ZANVPECISA-N 0 0 378.778 2.965 10 0 GFAERN O=C(Cc1nc2ncccn2n1)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000177958273 655292473 /nfs/dbraw/zinc/29/24/73/655292473.db2.gz QEGGBKNIUUFLSH-GXFFZTMASA-N 0 0 376.247 2.894 10 0 GFAERN C[C@@H](NC(=O)c1ccncc1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000177960024 655292707 /nfs/dbraw/zinc/29/27/07/655292707.db2.gz HJPFYAKMCVDJAA-SNVBAGLBSA-N 0 0 383.267 2.739 10 0 GFAERN C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000178321651 655301393 /nfs/dbraw/zinc/30/13/93/655301393.db2.gz FUWLNMRKWUZCGU-GFCCVEGCSA-N 0 0 392.253 2.504 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000119376389 655301429 /nfs/dbraw/zinc/30/14/29/655301429.db2.gz BPJRMIZCFNEVDG-SECBINFHSA-N 0 0 385.791 2.933 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)C[C@H]1CC ZINC000119783930 655315251 /nfs/dbraw/zinc/31/52/51/655315251.db2.gz CGZYVSSRGXPLGJ-SNVBAGLBSA-N 0 0 381.424 2.522 10 0 GFAERN COC(=O)[C@@H]1CCCCN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000119903756 655320444 /nfs/dbraw/zinc/32/04/44/655320444.db2.gz WARIJKWZBRNZFI-ZDUSSCGKSA-N 0 0 380.293 2.795 10 0 GFAERN C[C@H]1C[C@@H](C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC(C)(C)C1 ZINC000180417093 655326363 /nfs/dbraw/zinc/32/63/63/655326363.db2.gz BMMOVYNAARDISK-NWDGAFQWSA-N 0 0 384.464 2.879 10 0 GFAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](C)C2 ZINC000181243644 655333956 /nfs/dbraw/zinc/33/39/56/655333956.db2.gz BZZJBFYBDGKJRT-GTNSWQLSSA-N 0 0 378.881 2.959 10 0 GFAERN C[C@H](OC(=O)c1cc(C(N)=O)cn1C)c1ccc(I)cc1 ZINC000121116064 655347726 /nfs/dbraw/zinc/34/77/26/655347726.db2.gz KBTLJVYFVHAJKP-VIFPVBQESA-N 0 0 398.200 2.647 10 0 GFAERN C[C@@H]1CC[C@@H](C(=O)OCc2nc(Cc3ccccc3Br)n[nH]2)O1 ZINC000185382431 655364255 /nfs/dbraw/zinc/36/42/55/655364255.db2.gz LOQRPJLYIVPLIO-MFKMUULPSA-N 0 0 380.242 2.769 10 0 GFAERN Cc1csc([C@@H]2CN(Cn3c(=S)nc4nc(C)cc(C)n43)CCO2)n1 ZINC000195295264 655419955 /nfs/dbraw/zinc/41/99/55/655419955.db2.gz MXPPBLASEFPGHD-ZDUSSCGKSA-N 0 0 376.511 2.673 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@H]1C ZINC000245736756 655428306 /nfs/dbraw/zinc/42/83/06/655428306.db2.gz UWYCOARVLBOLJE-RDBSUJKOSA-N 0 0 379.551 2.690 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000263478386 655452064 /nfs/dbraw/zinc/45/20/64/655452064.db2.gz NFPOHNWZAQYDMZ-UHFFFAOYSA-N 0 0 398.301 2.528 10 0 GFAERN O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000912939928 664311252 /nfs/dbraw/zinc/31/12/52/664311252.db2.gz DRFVMPFCIWHVNK-ZBFHGGJFSA-N 0 0 381.263 2.969 10 0 GFAERN CCOC(=O)c1ccc(CNC(=O)CC[C@]2(Cc3ccccc3)CCC(=O)N2)o1 ZINC000012278909 206877483 /nfs/dbraw/zinc/87/74/83/206877483.db2.gz FBYKPJUXOHINBR-JOCHJYFZSA-N 0 0 398.459 2.744 10 0 GFAERN O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)NCCC1=CCCCC1 ZINC000014960147 207034499 /nfs/dbraw/zinc/03/44/99/207034499.db2.gz FXOCCLJTJURLOL-OAQYLSRUSA-N 0 0 383.536 2.816 10 0 GFAERN CSc1nnc(CNC(=O)CSc2ccccn2)n1-c1ccc(F)cc1 ZINC000015007060 207040094 /nfs/dbraw/zinc/04/00/94/207040094.db2.gz VPVZXQFYUDCKTM-UHFFFAOYSA-N 0 0 389.481 2.932 10 0 GFAERN Cc1nc(CC(=O)N[C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cs1 ZINC000015064032 207043161 /nfs/dbraw/zinc/04/31/61/207043161.db2.gz UETPOQYJUOZRLK-HNNXBMFYSA-N 0 0 377.897 2.607 10 0 GFAERN CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1NCC(=O)Nc1ccccc1F ZINC000015735737 207058830 /nfs/dbraw/zinc/05/88/30/207058830.db2.gz MVRYSSMPYWWWMK-UHFFFAOYSA-N 0 0 391.399 2.666 10 0 GFAERN Cc1cc(C)n(Cc2c(C)onc2C(=O)N2CCN(Cc3ccccc3)CC2)n1 ZINC000015736120 207059991 /nfs/dbraw/zinc/05/99/91/207059991.db2.gz VJXKPAWHRHCEHI-UHFFFAOYSA-N 0 0 393.491 2.803 10 0 GFAERN COc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccn(C)n2)cc1 ZINC000017078715 207083276 /nfs/dbraw/zinc/08/32/76/207083276.db2.gz BZRQQORQYONGLL-UHFFFAOYSA-N 0 0 385.489 2.862 10 0 GFAERN Cc1cccc(C2=NC(=O)[C@@](NC(=O)c3ccc(F)cc3)(C(F)(F)F)N2)c1 ZINC000020408045 207191162 /nfs/dbraw/zinc/19/11/62/207191162.db2.gz OVJYQKQTGBMMLH-QGZVFWFLSA-N 0 0 379.313 2.699 10 0 GFAERN CCN1C(SCC(=O)Nc2ccc(F)cc2)=c2cc(C)sc2=N[C@H]1C ZINC000038805688 207386609 /nfs/dbraw/zinc/38/66/09/207386609.db2.gz NNMYDSQETCZQRX-GFCCVEGCSA-N 0 0 377.510 2.934 10 0 GFAERN CCCNC(=O)[C@H](NC(=O)CC(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036347010 207521932 /nfs/dbraw/zinc/52/19/32/207521932.db2.gz QBCUBSKEBQTINM-HXUWFJFHSA-N 0 0 387.524 2.596 10 0 GFAERN Cc1cc(C)c2nc(-c3cncnc3)cc(C(=O)N3CCN(C)C(=O)[C@H]3C)c2c1 ZINC000063848219 207797763 /nfs/dbraw/zinc/79/77/63/207797763.db2.gz RZZXYNMVHNVPCC-OAHLLOKOSA-N 0 0 389.459 2.611 10 0 GFAERN COCCCN1CC2(CCC1=O)CCN(C(=O)Cc1cccc(OC)c1)CC2 ZINC000091738372 208136834 /nfs/dbraw/zinc/13/68/34/208136834.db2.gz YVKZVGMGVFMKBY-UHFFFAOYSA-N 0 0 388.508 2.505 10 0 GFAERN Cc1cc(Cl)nc(S(=O)(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000095090491 208155435 /nfs/dbraw/zinc/15/54/35/208155435.db2.gz QFCDMNXHVNSOBL-NSHDSACASA-N 0 0 375.878 2.612 10 0 GFAERN CC[C@@H](C(=O)NCc1ccc(F)cc1)n1c2ccc(C)cc2c(=O)n(CC)c1=O ZINC000096318362 208306655 /nfs/dbraw/zinc/30/66/55/208306655.db2.gz ARYBHUXJUNCJGX-SFHVURJKSA-N 0 0 397.450 2.898 10 0 GFAERN Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)NC[C@H]1CCCO1 ZINC000096396531 208314546 /nfs/dbraw/zinc/31/45/46/208314546.db2.gz GHDKVSKSIMFRBB-OAHLLOKOSA-N 0 0 384.407 2.999 10 0 GFAERN CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OC(C)=O ZINC000096193562 208283405 /nfs/dbraw/zinc/28/34/05/208283405.db2.gz DNIZXQWLQDGULW-UHFFFAOYSA-N 0 0 386.408 2.665 10 0 GFAERN COC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(c2ccccn2)CC1 ZINC000064438549 136156619 /nfs/dbraw/zinc/15/66/19/136156619.db2.gz OLXAPWSDMZWEDZ-UHFFFAOYSA-N 0 0 377.448 2.755 10 0 GFAERN CCn1c(N2CCC[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc(=O)n(C)c1=O ZINC000065023976 136158802 /nfs/dbraw/zinc/15/88/02/136158802.db2.gz QLXGESPVRHDRMA-QGZVFWFLSA-N 0 0 398.507 2.545 10 0 GFAERN Cc1ccc(CNc2nc(N3CCN(CCO)CC3)nc3ccccc32)cc1 ZINC000072260679 136167807 /nfs/dbraw/zinc/16/78/07/136167807.db2.gz RDVLNXQHBYLMIR-UHFFFAOYSA-N 0 0 377.492 2.665 10 0 GFAERN CCc1cnc(C)nc1N1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072436312 136170275 /nfs/dbraw/zinc/17/02/75/136170275.db2.gz KORVJBFVOGFUBE-SFHVURJKSA-N 0 0 382.512 2.666 10 0 GFAERN COc1ccc(C(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1OC ZINC000224355137 136206834 /nfs/dbraw/zinc/20/68/34/136206834.db2.gz QFQVCUYETHMVKL-UHFFFAOYSA-N 0 0 385.468 2.802 10 0 GFAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccccc1C(F)(F)F ZINC000224359195 136206874 /nfs/dbraw/zinc/20/68/74/136206874.db2.gz DNWNGDHOAAKCGF-UHFFFAOYSA-N 0 0 395.385 2.650 10 0 GFAERN COc1cc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)n2N)ccc1C ZINC000027643518 221656577 /nfs/dbraw/zinc/65/65/77/221656577.db2.gz DBTKUSABRPJQKW-UHFFFAOYSA-N 0 0 397.504 2.939 10 0 GFAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccccn3)nc(-c3ccccc3F)n2)CC1 ZINC000073685512 527611658 /nfs/dbraw/zinc/61/16/58/527611658.db2.gz JQVRNXBJVQGKKU-UHFFFAOYSA-N 0 0 393.422 2.551 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000028501145 551124540 /nfs/dbraw/zinc/12/45/40/551124540.db2.gz YVTYJKLJEVINOZ-CQSZACIVSA-N 0 0 378.416 2.526 10 0 GFAERN CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000046597744 551151606 /nfs/dbraw/zinc/15/16/06/551151606.db2.gz NOPABWROKICGCZ-OLZOCXBDSA-N 0 0 386.949 2.704 10 0 GFAERN O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCN2CCCC[C@@H]2C1 ZINC000056058411 551176203 /nfs/dbraw/zinc/17/62/03/551176203.db2.gz RUUAESFETUNVQZ-LLVKDONJSA-N 0 0 380.844 2.800 10 0 GFAERN CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000113590121 551208191 /nfs/dbraw/zinc/20/81/91/551208191.db2.gz GYGHXNRVVGBTRP-QWRGUYRKSA-N 0 0 377.304 2.633 10 0 GFAERN CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1Br ZINC000113580124 551208264 /nfs/dbraw/zinc/20/82/64/551208264.db2.gz JDGUTZFZPKMUQH-WDEREUQCSA-N 0 0 377.304 2.633 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000116329639 551212411 /nfs/dbraw/zinc/21/24/11/551212411.db2.gz XICGUXAMYIEVGZ-SNVBAGLBSA-N 0 0 393.939 2.986 10 0 GFAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)C2)cn1 ZINC000116369762 551213414 /nfs/dbraw/zinc/21/34/14/551213414.db2.gz MURXIVBPSFCIEI-SNVBAGLBSA-N 0 0 377.363 2.756 10 0 GFAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)CSCC(F)(F)F ZINC000121177843 551228774 /nfs/dbraw/zinc/22/87/74/551228774.db2.gz NQVGPZCBOWYZKX-GFCCVEGCSA-N 0 0 382.473 2.875 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000121318035 551231597 /nfs/dbraw/zinc/23/15/97/551231597.db2.gz PZQHUVAXUJSDNN-DZGCQCFKSA-N 0 0 383.279 2.873 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000121318185 551231776 /nfs/dbraw/zinc/23/17/76/551231776.db2.gz PZQHUVAXUJSDNN-HIFRSBDPSA-N 0 0 383.279 2.873 10 0 GFAERN CC(C)(C)S(=O)(=O)CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000124693834 551316676 /nfs/dbraw/zinc/31/66/76/551316676.db2.gz HYHFYJNFKKRROA-CYBMUJFWSA-N 0 0 380.432 2.673 10 0 GFAERN O=C(NCc1ccc(O)c(Br)c1)N1CCC(Cn2cccn2)CC1 ZINC000126317613 551328606 /nfs/dbraw/zinc/32/86/06/551328606.db2.gz WCOANGOBCAEHFB-UHFFFAOYSA-N 0 0 393.285 2.973 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000127224555 551338169 /nfs/dbraw/zinc/33/81/69/551338169.db2.gz XKXZAEGHJFAUIT-AWEZNQCLSA-N 0 0 378.416 2.934 10 0 GFAERN COc1cc(Br)ccc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127741700 551344245 /nfs/dbraw/zinc/34/42/45/551344245.db2.gz QNNKMKKPVDVKOM-GFCCVEGCSA-N 0 0 379.258 2.602 10 0 GFAERN C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000128332341 551349086 /nfs/dbraw/zinc/34/90/86/551349086.db2.gz SNSMSOSFERRDGA-ONGXEEELSA-N 0 0 394.294 2.886 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Br)c(C)c1 ZINC000128981969 551354763 /nfs/dbraw/zinc/35/47/63/551354763.db2.gz YWUMPBRMVYUEKA-ZDUSSCGKSA-N 0 0 379.258 2.760 10 0 GFAERN CC(C)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1Br ZINC000129460501 551357965 /nfs/dbraw/zinc/35/79/65/551357965.db2.gz AMYHZGIOYXIPMS-GFCCVEGCSA-N 0 0 392.301 2.632 10 0 GFAERN COc1cc(Br)ccc1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135319404 551387273 /nfs/dbraw/zinc/38/72/73/551387273.db2.gz BDKYJDMBCJONFX-SNVBAGLBSA-N 0 0 379.258 2.877 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C[C@H](C)O1 ZINC000151320413 551411541 /nfs/dbraw/zinc/41/15/41/551411541.db2.gz DMWNMDGAGZJGMV-IUCAKERBSA-N 0 0 375.650 2.677 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccccc3Br)CCO2)[nH]1 ZINC000151423345 551413375 /nfs/dbraw/zinc/41/33/75/551413375.db2.gz JFOPBLUGAPAOSG-LBPRGKRZSA-N 0 0 380.246 2.735 10 0 GFAERN O=C(Cc1cc(Br)ccc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000151688334 551419468 /nfs/dbraw/zinc/41/94/68/551419468.db2.gz AWEHFSPSXFKHKY-GFCCVEGCSA-N 0 0 381.249 2.661 10 0 GFAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000152341601 551431741 /nfs/dbraw/zinc/43/17/41/551431741.db2.gz NPVRTTAZKZGQMX-OAHLLOKOSA-N 0 0 391.269 2.793 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000152370568 551431856 /nfs/dbraw/zinc/43/18/56/551431856.db2.gz DZYZDPUEADAPBR-ZDUSSCGKSA-N 0 0 387.293 2.700 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C[C@H](O)c3ccccc3Br)CCO2)n1 ZINC000152958980 551443621 /nfs/dbraw/zinc/44/36/21/551443621.db2.gz XRLCSQSHKVKULV-QAPCUYQASA-N 0 0 394.313 2.697 10 0 GFAERN Cc1ccc([C@@H](C)NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)o1 ZINC000152973019 551444176 /nfs/dbraw/zinc/44/41/76/551444176.db2.gz PYENZMNGYSJPIB-SNVBAGLBSA-N 0 0 391.902 2.642 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccccc1Br ZINC000154522487 551477183 /nfs/dbraw/zinc/47/71/83/551477183.db2.gz YIUQRTLGOHVQSX-ZDUSSCGKSA-N 0 0 378.274 2.937 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000154560887 551477951 /nfs/dbraw/zinc/47/79/51/551477951.db2.gz PYVOXDRSOJZWEF-HOTGVXAUSA-N 0 0 377.286 2.645 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Cc1ccc(Br)cc1)CC2 ZINC000155166802 551493700 /nfs/dbraw/zinc/49/37/00/551493700.db2.gz DULXSIIYAWLHAN-IUODEOHRSA-N 0 0 391.313 2.913 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1ccccc1Br ZINC000155383841 551499117 /nfs/dbraw/zinc/49/91/17/551499117.db2.gz QKZPGWIWLBQBJC-AWEZNQCLSA-N 0 0 393.285 2.771 10 0 GFAERN O=S(=O)(c1ccc(F)cc1F)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158488357 551552829 /nfs/dbraw/zinc/55/28/29/551552829.db2.gz FQLQPLINLNKQFU-XHDPSFHLSA-N 0 0 375.343 2.740 10 0 GFAERN CCS(=O)(=O)CCN(C)C(=O)N[C@H](C)c1ccccc1Br ZINC000158939929 551558956 /nfs/dbraw/zinc/55/89/56/551558956.db2.gz RONCZPSRLUXMPX-LLVKDONJSA-N 0 0 377.304 2.586 10 0 GFAERN O=C(CSc1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000162538180 551609710 /nfs/dbraw/zinc/60/97/10/551609710.db2.gz DWNVDAANXXECPL-AWEZNQCLSA-N 0 0 396.310 2.665 10 0 GFAERN O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000163336647 551618984 /nfs/dbraw/zinc/61/89/84/551618984.db2.gz HRRJPULWZUSBMP-SKDRFNHKSA-N 0 0 389.677 2.708 10 0 GFAERN Cc1cc(Cl)c(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1Cl ZINC000164111958 551624223 /nfs/dbraw/zinc/62/42/23/551624223.db2.gz JDRYKSBJUAEMKE-NSHDSACASA-N 0 0 381.263 2.990 10 0 GFAERN C[C@H]1CN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CCS1 ZINC000171582443 551658552 /nfs/dbraw/zinc/65/85/52/551658552.db2.gz HRCYSRHQWNWPNT-JTQLQIEISA-N 0 0 397.349 2.626 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(Br)cn2CC)C1 ZINC000171816450 551664573 /nfs/dbraw/zinc/66/45/73/551664573.db2.gz VSPXWWNYJWFFQB-GFCCVEGCSA-N 0 0 380.290 2.902 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cs1 ZINC000172068243 551669527 /nfs/dbraw/zinc/66/95/27/551669527.db2.gz XPPFMTMMNGVKMN-UHFFFAOYSA-N 0 0 379.551 2.798 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(F)cc1Br)CC2 ZINC000172314250 551676114 /nfs/dbraw/zinc/67/61/14/551676114.db2.gz BXQREHJJOMKANN-LBPRGKRZSA-N 0 0 396.264 2.556 10 0 GFAERN Cn1nccc1C1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000172381971 551678016 /nfs/dbraw/zinc/67/80/16/551678016.db2.gz JVQPZWGTCHUXNF-UHFFFAOYSA-N 0 0 392.253 2.931 10 0 GFAERN O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC(Cn2cccn2)CC1 ZINC000172605713 551683072 /nfs/dbraw/zinc/68/30/72/551683072.db2.gz NRKZSYHVUYHAJU-UHFFFAOYSA-N 0 0 375.281 2.686 10 0 GFAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000173025373 551692671 /nfs/dbraw/zinc/69/26/71/551692671.db2.gz LIYFFXRBLZZGLC-LKFCYVNXSA-N 0 0 384.267 2.820 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)CCc3ccccc3Br)CCO2)[nH]1 ZINC000173096069 551695972 /nfs/dbraw/zinc/69/59/72/551695972.db2.gz HHAGLEKKEDYOIX-AWEZNQCLSA-N 0 0 393.285 2.662 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccccc1Br ZINC000173841590 552093573 /nfs/dbraw/zinc/09/35/73/552093573.db2.gz ABWXYXPILHAATO-CYBMUJFWSA-N 0 0 384.299 2.807 10 0 GFAERN CC(C)c1csc([C@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)n1 ZINC000173957640 552095812 /nfs/dbraw/zinc/09/58/12/552095812.db2.gz ACESOEYEZMAKAI-NSHDSACASA-N 0 0 383.495 2.527 10 0 GFAERN CCc1nnc(NC(=O)NC[C@@H](c2ccc(C)s2)N2CCOCC2)s1 ZINC000175086156 552115412 /nfs/dbraw/zinc/11/54/12/552115412.db2.gz ISEHGEOGRLFOAT-LBPRGKRZSA-N 0 0 381.527 2.665 10 0 GFAERN Cc1cccc(S(=O)(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000175212214 552117393 /nfs/dbraw/zinc/11/73/93/552117393.db2.gz ZIKACMXFCSQEEZ-QGZVFWFLSA-N 0 0 380.535 2.751 10 0 GFAERN CN1CCO[C@@H](CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000175505710 552123542 /nfs/dbraw/zinc/12/35/42/552123542.db2.gz WTKSIQUWRWCDOY-NSHDSACASA-N 0 0 396.702 2.655 10 0 GFAERN O=C(Nc1cccc(I)c1)N[C@H]1CCCn2ncnc21 ZINC000175869556 552130753 /nfs/dbraw/zinc/13/07/53/552130753.db2.gz XBRQMDPCZBXKJG-NSHDSACASA-N 0 0 383.193 2.539 10 0 GFAERN Cc1cnn(CCNC(=O)c2ccc(I)c(Cl)c2)c1 ZINC000176626664 552142467 /nfs/dbraw/zinc/14/24/67/552142467.db2.gz LBKJAFGZFGUKLD-UHFFFAOYSA-N 0 0 389.624 2.880 10 0 GFAERN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000177363340 552153982 /nfs/dbraw/zinc/15/39/82/552153982.db2.gz GXNKRYLYMNQXOL-FZMZJTMJSA-N 0 0 378.274 2.806 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(Br)cc1F ZINC000177698156 552157167 /nfs/dbraw/zinc/15/71/67/552157167.db2.gz MGHWSQLPCUVTJU-LBPRGKRZSA-N 0 0 383.221 2.518 10 0 GFAERN Cc1ccc([C@H](CNC(=O)c2c(C)nn(C)c2Cl)N2CCOCC2)s1 ZINC000177971602 552161499 /nfs/dbraw/zinc/16/14/99/552161499.db2.gz HSZAUJKOLDGRRB-ZDUSSCGKSA-N 0 0 382.917 2.555 10 0 GFAERN C[C@@H](CNC(=O)NC(C)(C)c1ccccc1Br)N1CCOCC1 ZINC000178929882 552179853 /nfs/dbraw/zinc/17/98/53/552179853.db2.gz DTVSIHAIRMMQMG-ZDUSSCGKSA-N 0 0 384.318 2.704 10 0 GFAERN CNC(=O)[C@H](NC(=O)Cn1c(C)c(Br)c2ccccc21)C(C)C ZINC000179127056 552184857 /nfs/dbraw/zinc/18/48/57/552184857.db2.gz NNTARANWLMRIAI-MRXNPFEDSA-N 0 0 380.286 2.599 10 0 GFAERN Brc1cc(CN2CCC[C@@H](n3cncn3)C2)cc2c1OCCO2 ZINC000179466011 552194098 /nfs/dbraw/zinc/19/40/98/552194098.db2.gz CGKXHVRCJPVNKT-CYBMUJFWSA-N 0 0 379.258 2.649 10 0 GFAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179679023 552199985 /nfs/dbraw/zinc/19/99/85/552199985.db2.gz VFZQDDRZTQBTRL-GFCCVEGCSA-N 0 0 376.360 2.619 10 0 GFAERN Cn1c(CS(=O)(=O)Cc2ccc(Br)s2)nnc1C1CC1 ZINC000180054617 552210786 /nfs/dbraw/zinc/21/07/86/552210786.db2.gz VXHHBFVAHAROHM-UHFFFAOYSA-N 0 0 376.301 2.632 10 0 GFAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000180267615 552219573 /nfs/dbraw/zinc/21/95/73/552219573.db2.gz RFUHCGNCXIKZJQ-LBPRGKRZSA-N 0 0 395.278 2.504 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1cccnc1Br)CC2 ZINC000181631935 552262848 /nfs/dbraw/zinc/26/28/48/552262848.db2.gz GEQXVKRLEJXMAR-JTQLQIEISA-N 0 0 379.262 2.696 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)[C@H](C)C(=O)Nc2ccccc2Cl)n1C ZINC000182393256 552283062 /nfs/dbraw/zinc/28/30/62/552283062.db2.gz KGDZGJJPAWZYLY-LLVKDONJSA-N 0 0 384.889 2.534 10 0 GFAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)cnc1Br ZINC000182668072 552290110 /nfs/dbraw/zinc/29/01/10/552290110.db2.gz FGXPCLJYYNQAFE-ZDUSSCGKSA-N 0 0 390.237 2.731 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2cncc(Br)c2)C1 ZINC000183269313 552304491 /nfs/dbraw/zinc/30/44/91/552304491.db2.gz RQJOVCIMAQFEJF-LLVKDONJSA-N 0 0 379.262 2.867 10 0 GFAERN COC[C@H](O)CCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183604833 552314737 /nfs/dbraw/zinc/31/47/37/552314737.db2.gz NDXCTLILNGFEFQ-XNRPHZJLSA-N 0 0 376.280 2.975 10 0 GFAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000185151252 552355187 /nfs/dbraw/zinc/35/51/87/552355187.db2.gz LUFRPVYPKVKDNZ-GXSJLCMTSA-N 0 0 393.292 2.549 10 0 GFAERN CCC(=O)N1CC[C@@H](N[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186252074 552382788 /nfs/dbraw/zinc/38/27/88/552382788.db2.gz GNLQGJJWODMZPI-AEFFLSMTSA-N 0 0 389.297 2.929 10 0 GFAERN Cn1cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc(Br)c1=O ZINC000186614053 552392529 /nfs/dbraw/zinc/39/25/29/552392529.db2.gz XHLPZZUWXVRGMM-CYBMUJFWSA-N 0 0 380.246 2.630 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(F)cc1Br ZINC000186830546 552398720 /nfs/dbraw/zinc/39/87/20/552398720.db2.gz ZFVBGNJPDXOJJH-ZDUSSCGKSA-N 0 0 397.248 2.520 10 0 GFAERN Cc1cc(Br)c2c(c1)CN(C(=O)N[C@H]1CCCn3ncnc31)CC2 ZINC000187026710 552404292 /nfs/dbraw/zinc/40/42/92/552404292.db2.gz JTAYAEPHDSNMMZ-HNNXBMFYSA-N 0 0 390.285 2.952 10 0 GFAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000187185100 552408769 /nfs/dbraw/zinc/40/87/69/552408769.db2.gz GOJJAGHJZDKGGX-QMTHXVAHSA-N 0 0 387.249 2.502 10 0 GFAERN Cc1cc(Br)cc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000187520925 552417565 /nfs/dbraw/zinc/41/75/65/552417565.db2.gz YORABRXRSYRRHO-NSHDSACASA-N 0 0 399.314 2.725 10 0 GFAERN O=C(c1cc(Br)ncc1Cl)N1CCCN(c2cccnn2)CC1 ZINC000187547842 552418778 /nfs/dbraw/zinc/41/87/78/552418778.db2.gz DJEIYKGUNIESHO-UHFFFAOYSA-N 0 0 396.676 2.640 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000187640508 552420690 /nfs/dbraw/zinc/42/06/90/552420690.db2.gz LJKUXGOCMQLZKA-QGZVFWFLSA-N 0 0 392.253 2.803 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3ccc(C)c(Br)c3)CCO2)c1 ZINC000187885299 552427318 /nfs/dbraw/zinc/42/73/18/552427318.db2.gz VTEXYHMZHLODMR-MRXNPFEDSA-N 0 0 392.297 2.733 10 0 GFAERN C[C@H]1COC[C@H](C)N1C(=O)c1nc(Br)ccc1Br ZINC000188004521 552431281 /nfs/dbraw/zinc/43/12/81/552431281.db2.gz HNNUJPCDQRELLB-YUMQZZPRSA-N 0 0 378.064 2.856 10 0 GFAERN Cc1csc(C(=O)N[C@H]2CCCC[C@H]2CO)c1I ZINC000188408884 552444315 /nfs/dbraw/zinc/44/43/15/552444315.db2.gz MLYIMQMIOVVAAI-UWVGGRQHSA-N 0 0 379.263 2.942 10 0 GFAERN Cc1csc(C(=O)N[C@H]2CCCC[C@@H]2CO)c1I ZINC000188408839 552444592 /nfs/dbraw/zinc/44/45/92/552444592.db2.gz MLYIMQMIOVVAAI-ZJUUUORDSA-N 0 0 379.263 2.942 10 0 GFAERN O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000189603713 552475804 /nfs/dbraw/zinc/47/58/04/552475804.db2.gz WOVGWMFMKKVZCD-CYBMUJFWSA-N 0 0 376.862 2.839 10 0 GFAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(F)c(Br)c2)C1 ZINC000190042804 552486099 /nfs/dbraw/zinc/48/60/99/552486099.db2.gz VULOAJXVZHURQN-ZWNOBZJWSA-N 0 0 384.205 2.882 10 0 GFAERN O=C(Nc1ccccc1Br)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190132093 552488114 /nfs/dbraw/zinc/48/81/14/552488114.db2.gz PXWAJPDPYZRHMU-CQSZACIVSA-N 0 0 377.242 2.865 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Nc3cnc(Br)c(C)c3)CCO2)cn1 ZINC000190215917 552490084 /nfs/dbraw/zinc/49/00/84/552490084.db2.gz TVPQRLLHQBRATB-CQSZACIVSA-N 0 0 394.273 2.974 10 0 GFAERN COCCN1CCN(C(=O)NCc2cccc(C)c2Br)C[C@@H]1C ZINC000190494138 552498730 /nfs/dbraw/zinc/49/87/30/552498730.db2.gz BJILLDYRQCSKFR-AWEZNQCLSA-N 0 0 384.318 2.620 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190614243 552503265 /nfs/dbraw/zinc/50/32/65/552503265.db2.gz MVKDADFTDMQHGZ-NSHDSACASA-N 0 0 386.214 2.622 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3scc(C)c3Br)CCO2)[nH]1 ZINC000190954461 552514515 /nfs/dbraw/zinc/51/45/15/552514515.db2.gz RQCZEPGIJOOTLG-SECBINFHSA-N 0 0 385.287 2.713 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)c3cc(Br)ccc3O)CCO2)cn1 ZINC000191729902 552536530 /nfs/dbraw/zinc/53/65/30/552536530.db2.gz TVDUVEPCOCMKBD-HNNXBMFYSA-N 0 0 380.242 2.585 10 0 GFAERN O=S(=O)(CCc1cccs1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000192027179 552546687 /nfs/dbraw/zinc/54/66/87/552546687.db2.gz KABJVKZADMHATC-HNNXBMFYSA-N 0 0 380.539 2.775 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(Cl)c1Br ZINC000192048647 552547776 /nfs/dbraw/zinc/54/77/76/552547776.db2.gz VVLLJNGZQGIYIK-CABZTGNLSA-N 0 0 389.677 2.708 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3cccc(Br)c3F)CCO2)c1 ZINC000192102371 552551339 /nfs/dbraw/zinc/55/13/39/552551339.db2.gz CSNIIASFWNNPHF-GFCCVEGCSA-N 0 0 382.233 2.634 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C12CCOCC2 ZINC000192855957 552976278 /nfs/dbraw/zinc/97/62/78/552976278.db2.gz VZXGTUVLFFKXEZ-HOTGVXAUSA-N 0 0 391.892 2.873 10 0 GFAERN Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)c1F ZINC000193091304 552983439 /nfs/dbraw/zinc/98/34/39/552983439.db2.gz AMCBCKMSAFOIJH-CMPLNLGQSA-N 0 0 387.249 2.502 10 0 GFAERN C[C@H](NC(=O)Nc1ccc2ncsc2c1)c1ccc(S(N)(=O)=O)cc1 ZINC000193189254 552985703 /nfs/dbraw/zinc/98/57/03/552985703.db2.gz WRKRFWQZXXHCFM-JTQLQIEISA-N 0 0 376.463 2.826 10 0 GFAERN Cc1c(Br)ccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)c1F ZINC000194202842 553014390 /nfs/dbraw/zinc/01/43/90/553014390.db2.gz AVFQURHCGHZZKT-GFCCVEGCSA-N 0 0 386.265 2.835 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCO[C@H](c2nccs2)C1 ZINC000194291011 553016956 /nfs/dbraw/zinc/01/69/56/553016956.db2.gz KQSAKANNJXGHKI-KBPBESRZSA-N 0 0 395.278 2.809 10 0 GFAERN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)[C@@H]1CNC(=O)C1 ZINC000194815021 553031020 /nfs/dbraw/zinc/03/10/20/553031020.db2.gz SVCHAIIATRDART-YVEFUNNKSA-N 0 0 391.240 2.930 10 0 GFAERN CCn1ccnc1CS(=O)(=O)c1nccn1-c1ccc(Br)cc1 ZINC000195138038 553038666 /nfs/dbraw/zinc/03/86/66/553038666.db2.gz BQAQLVDGMZUTGG-UHFFFAOYSA-N 0 0 395.282 2.825 10 0 GFAERN Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)c(C)o1 ZINC000245822526 553097884 /nfs/dbraw/zinc/09/78/84/553097884.db2.gz AKRCKTSQGTUIEC-ZFWWWQNUSA-N 0 0 384.523 2.698 10 0 GFAERN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1Br)[C@H](C)N1CCOCC1 ZINC000246470169 553107994 /nfs/dbraw/zinc/10/79/94/553107994.db2.gz QQQUCEVWADKKPH-RDBSUJKOSA-N 0 0 384.318 2.919 10 0 GFAERN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246573371 553109901 /nfs/dbraw/zinc/10/99/01/553109901.db2.gz VOLZPUMEKDPVBJ-PBFPGSCMSA-N 0 0 386.323 2.973 10 0 GFAERN C[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246575333 553110346 /nfs/dbraw/zinc/11/03/46/553110346.db2.gz YFMKWLGJQMPQCM-CSMYWGQOSA-N 0 0 387.307 2.596 10 0 GFAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000247411144 553122043 /nfs/dbraw/zinc/12/20/43/553122043.db2.gz QCGXBZVWWZBACU-GUYCJALGSA-N 0 0 389.297 2.944 10 0 GFAERN COCCN1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000247770498 553125125 /nfs/dbraw/zinc/12/51/25/553125125.db2.gz OXNBWVLQIAWQRS-UONOGXRCSA-N 0 0 388.339 2.823 10 0 GFAERN C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000248170490 553127980 /nfs/dbraw/zinc/12/79/80/553127980.db2.gz JCXCIPSPYNFXIX-GBIKHYSHSA-N 0 0 379.309 2.829 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Cl)cc1 ZINC000248378144 553128958 /nfs/dbraw/zinc/12/89/58/553128958.db2.gz ISLGJMAUFGXUSP-SNVBAGLBSA-N 0 0 378.837 2.605 10 0 GFAERN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000248441716 553129232 /nfs/dbraw/zinc/12/92/32/553129232.db2.gz KJDDLMGHDJYFKW-MJEQTWJJSA-N 0 0 387.307 2.860 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCN1C[C@H](C)O ZINC000248849628 553136064 /nfs/dbraw/zinc/13/60/64/553136064.db2.gz SSKHZAPHKHRPES-WDEREUQCSA-N 0 0 391.256 2.645 10 0 GFAERN C[C@@H]1CCN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@H]1CO ZINC000248863183 553136252 /nfs/dbraw/zinc/13/62/52/553136252.db2.gz AJONICPVIVXLBM-RNCFNFMXSA-N 0 0 375.782 2.537 10 0 GFAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249702652 553145501 /nfs/dbraw/zinc/14/55/01/553145501.db2.gz JDLSIZGPRIJXRM-CVEARBPZSA-N 0 0 376.881 2.799 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1Cl)N1CCN2CCCC[C@H]2C1 ZINC000249757870 553146132 /nfs/dbraw/zinc/14/61/32/553146132.db2.gz LHAJINBFFQZCPG-LBPRGKRZSA-N 0 0 393.734 2.961 10 0 GFAERN O=C([O-])[C@@H]1CN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1C(F)(F)F ZINC000263076562 553182063 /nfs/dbraw/zinc/18/20/63/553182063.db2.gz XDBDYFJLDZVXHT-UPJWGTAASA-N 0 0 376.762 2.640 10 0 GFAERN C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@H]1C(=O)CO ZINC000003876143 560191246 /nfs/dbraw/zinc/19/12/46/560191246.db2.gz VWVSBHGCDBMOOT-RJELCWKXSA-N 0 0 376.468 2.781 10 0 in-vitro GFAERN COc1cc(CC[C@H](O)C[C@@H](O)CCc2ccc(O)c(OC)c2)ccc1O ZINC000013377892 560215683 /nfs/dbraw/zinc/21/56/83/560215683.db2.gz OELMAFBLFOKZJD-IRXDYDNUSA-N 0 0 376.449 2.792 10 0 biogenic,in-vitro GFAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(Br)cc(Br)c1 ZINC000281728883 563385415 /nfs/dbraw/zinc/38/54/15/563385415.db2.gz GUJHJZZDHVCTES-WRWORJQWSA-N 0 0 390.075 2.609 10 0 GFAERN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1c(Cl)cccc1Br ZINC000312927915 563437822 /nfs/dbraw/zinc/43/78/22/563437822.db2.gz XNEDZXANNYHSEG-BXKDBHETSA-N 0 0 382.707 2.932 10 0 GFAERN O=C1CC[C@H](Nc2ccnc3cc(Br)cnc32)[C@H]([C@@H]2CCCO2)N1 ZINC000367758860 563854203 /nfs/dbraw/zinc/85/42/03/563854203.db2.gz RRMYXHXGBMDNOW-PZSREKOKSA-N 0 0 391.269 2.630 10 0 GFAERN Cn1ccnc1CNC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000012306097 570638596 /nfs/dbraw/zinc/63/85/96/570638596.db2.gz MSLHFYCDBURRQT-UHFFFAOYSA-N 0 0 393.491 2.793 10 0 GFAERN COCCNC(=O)/C=C1/Sc2ccccc2N(Cc2cccc(OC)c2)C1=O ZINC000037341290 570885103 /nfs/dbraw/zinc/88/51/03/570885103.db2.gz WVRTUURENRBOJE-CPNJWEJPSA-N 0 0 398.484 2.981 10 0 GFAERN COC(=O)[C@H](NC(=O)c1ccc(I)cc1)c1ccccc1 ZINC000050512798 654720404 /nfs/dbraw/zinc/72/04/04/654720404.db2.gz KALZLHSLACKBLV-CQSZACIVSA-N 0 0 395.196 2.935 10 0 GFAERN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccs1 ZINC000051928935 654730861 /nfs/dbraw/zinc/73/08/61/654730861.db2.gz FFPPHSBPOHVADJ-CYBMUJFWSA-N 0 0 380.491 2.848 10 0 GFAERN O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123255579 654754312 /nfs/dbraw/zinc/75/43/12/654754312.db2.gz XKYQALUAVIWGPQ-DIFFPNOSSA-N 0 0 399.260 2.680 10 0 GFAERN Cc1cc(OC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)ccc1Cl ZINC000055545030 654776170 /nfs/dbraw/zinc/77/61/70/654776170.db2.gz ZCJJVVXYDAKHAK-NSHDSACASA-N 0 0 378.837 2.681 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000124497696 654776668 /nfs/dbraw/zinc/77/66/68/654776668.db2.gz MTEKZTQLASAESK-NHYWBVRUSA-N 0 0 376.881 2.861 10 0 GFAERN CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000057085224 654799766 /nfs/dbraw/zinc/79/97/66/654799766.db2.gz JEAJOTOUQGZEPC-GFCCVEGCSA-N 0 0 385.482 2.831 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1ccc(Cl)s1 ZINC000057087883 654799984 /nfs/dbraw/zinc/79/99/84/654799984.db2.gz URTXCULSZGVLAP-QMMMGPOBSA-N 0 0 397.902 2.984 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000057693195 654808316 /nfs/dbraw/zinc/80/83/16/654808316.db2.gz BHUGJGRMARCSQC-QMTHXVAHSA-N 0 0 377.238 2.964 10 0 GFAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000127191475 654826008 /nfs/dbraw/zinc/82/60/08/654826008.db2.gz UBPZFGDNFGIQHN-NSHDSACASA-N 0 0 395.282 2.993 10 0 GFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000130444320 654888107 /nfs/dbraw/zinc/88/81/07/654888107.db2.gz XDHROFJBFRPIDN-GFCCVEGCSA-N 0 0 393.285 2.793 10 0 GFAERN C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000066058187 654893957 /nfs/dbraw/zinc/89/39/57/654893957.db2.gz YJVBRMCRILABMG-HUTHGQBESA-N 0 0 384.263 2.891 10 0 GFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000066982053 654924709 /nfs/dbraw/zinc/92/47/09/654924709.db2.gz NURACSQNXMSBSZ-NSHDSACASA-N 0 0 379.258 2.734 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3c(F)cccc3Cl)C2)n1 ZINC000132493429 654939417 /nfs/dbraw/zinc/93/94/17/654939417.db2.gz GYRBFVRHOCUBCV-CYBMUJFWSA-N 0 0 386.880 2.788 10 0 GFAERN CC(C)Oc1ccc(Br)cc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000133074580 654954442 /nfs/dbraw/zinc/95/44/42/654954442.db2.gz PZCJMNZMUASPFE-LBPRGKRZSA-N 0 0 394.273 2.964 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(F)cc1Br ZINC000070708613 654993898 /nfs/dbraw/zinc/99/38/98/654993898.db2.gz FGUVTGDQRGPSII-LBPRGKRZSA-N 0 0 394.262 2.698 10 0 GFAERN COc1ncccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000070730433 654994357 /nfs/dbraw/zinc/99/43/57/654994357.db2.gz NANHFORMQCBOOD-JTQLQIEISA-N 0 0 378.226 2.669 10 0 GFAERN Cc1c(Cl)cccc1OCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000134496455 654994423 /nfs/dbraw/zinc/99/44/23/654994423.db2.gz NTYYBLOIFCCNJG-GFCCVEGCSA-N 0 0 382.869 2.552 10 0 GFAERN O=C(CCc1cccc(Br)c1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135275119 655013017 /nfs/dbraw/zinc/01/30/17/655013017.db2.gz RZOFHPWKAFFAKV-INIZCTEOSA-N 0 0 389.297 2.957 10 0 GFAERN Cc1cc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)ncc1Br ZINC000096514895 655031527 /nfs/dbraw/zinc/03/15/27/655031527.db2.gz KUNMNIVPAJZXLO-JTQLQIEISA-N 0 0 388.221 2.776 10 0 GFAERN COCCN(CC(F)F)C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000103391956 655072043 /nfs/dbraw/zinc/07/20/43/655072043.db2.gz SEKUWSDNERZKEP-HNNXBMFYSA-N 0 0 376.831 2.835 10 0 GFAERN Cc1noc([C@H](C)N2CCN(C[C@@H](O)c3cccc(Br)c3)CC2)n1 ZINC000106134604 655103794 /nfs/dbraw/zinc/10/37/94/655103794.db2.gz WQVJNQAEPKHGNH-BLLLJJGKSA-N 0 0 395.301 2.553 10 0 GFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)Nc1ccc(Br)cn1 ZINC000106208158 655105012 /nfs/dbraw/zinc/10/50/12/655105012.db2.gz YDWDVQLMRCSUKE-CQSZACIVSA-N 0 0 392.301 2.970 10 0 GFAERN CS(=O)(=O)Cc1ccc(C(=O)Oc2ccc(F)cc2Br)o1 ZINC000159256504 655112410 /nfs/dbraw/zinc/11/24/10/655112410.db2.gz MJWBJIRKRFBTQJ-UHFFFAOYSA-N 0 0 377.187 2.945 10 0 GFAERN C[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000160324585 655120641 /nfs/dbraw/zinc/12/06/41/655120641.db2.gz NEDFFKJCVHBEJS-MRVPVSSYSA-N 0 0 388.276 2.714 10 0 GFAERN CC[C@@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)/C=C/c1ccccc1 ZINC000160857389 655124380 /nfs/dbraw/zinc/12/43/80/655124380.db2.gz VBSDSVZKQIDMLR-CLVCIHKQSA-N 0 0 379.503 2.829 10 0 GFAERN C[C@@H](OC(=O)CCCS(C)(=O)=O)c1ccc(I)cc1 ZINC000108939510 655139388 /nfs/dbraw/zinc/13/93/88/655139388.db2.gz UDFVHTKWRQHIAJ-SNVBAGLBSA-N 0 0 396.246 2.720 10 0 GFAERN O=c1c(Cl)c(N[C@@H]2CCc3ncnn3C2)cnn1-c1ccc(Cl)cc1 ZINC000108947833 655139637 /nfs/dbraw/zinc/13/96/37/655139637.db2.gz LTPDOWRDRIFAML-LLVKDONJSA-N 0 0 377.235 2.558 10 0 GFAERN CC(=O)N[C@@H]1CCCN(Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000111684068 655176122 /nfs/dbraw/zinc/17/61/22/655176122.db2.gz CZNCWDZYBUNIEZ-OAHLLOKOSA-N 0 0 393.285 2.523 10 0 GFAERN O=C(NCCc1ccc(Cl)cc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111793067 655177442 /nfs/dbraw/zinc/17/74/42/655177442.db2.gz NHRALAMXHUOGBG-OAHLLOKOSA-N 0 0 383.279 2.843 10 0 GFAERN NC(=O)c1ccc(CNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000111823398 655177693 /nfs/dbraw/zinc/17/76/93/655177693.db2.gz QMEYJPDEAYAFSZ-OAHLLOKOSA-N 0 0 382.247 2.625 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)CC2 ZINC000173768508 655180610 /nfs/dbraw/zinc/18/06/10/655180610.db2.gz VXNFASFPCSILSG-WCQYABFASA-N 0 0 393.285 2.502 10 0 GFAERN C[C@@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)C[C@@H]1N1CCOCC1 ZINC000173874041 655183645 /nfs/dbraw/zinc/18/36/45/655183645.db2.gz COQBZLKWTQALCX-PBHICJAKSA-N 0 0 378.563 2.958 10 0 GFAERN Cc1cc(Br)ccc1SCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112661500 655194802 /nfs/dbraw/zinc/19/48/02/655194802.db2.gz IBAUDGQRIBVOGJ-GFCCVEGCSA-N 0 0 381.299 2.572 10 0 GFAERN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174304659 655198450 /nfs/dbraw/zinc/19/84/50/655198450.db2.gz ZDRQRYWPFGAQJC-BFYDXBDKSA-N 0 0 397.357 2.931 10 0 GFAERN C[C@H]([C@H](C)N(C)C(=O)N[C@@H](C)c1ccccc1Br)S(C)(=O)=O ZINC000113369164 655208754 /nfs/dbraw/zinc/20/87/54/655208754.db2.gz NOWRLNNXPALIQY-SDDRHHMPSA-N 0 0 391.331 2.973 10 0 GFAERN C[C@H](NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCO1 ZINC000174954081 655211342 /nfs/dbraw/zinc/21/13/42/655211342.db2.gz DGLWTWLEPCVJLR-CABZTGNLSA-N 0 0 381.782 2.999 10 0 GFAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000114672418 655227044 /nfs/dbraw/zinc/22/70/44/655227044.db2.gz NRIJZHLCQIWTNH-HTQZYQBOSA-N 0 0 397.147 2.533 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(OC)ccc1Br)CC2 ZINC000114905520 655230282 /nfs/dbraw/zinc/23/02/82/655230282.db2.gz WTRJMMWTZYJKSA-SNVBAGLBSA-N 0 0 394.273 2.748 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)NC[C@H](C)Oc2ccccc2Br)C1 ZINC000175979632 655231064 /nfs/dbraw/zinc/23/10/64/655231064.db2.gz CWMAFOVLFVRWKK-QWHCGFSZSA-N 0 0 399.285 2.811 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2Br)C1 ZINC000175979643 655231161 /nfs/dbraw/zinc/23/11/61/655231161.db2.gz CWMAFOVLFVRWKK-CHWSQXEVSA-N 0 0 399.285 2.811 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1cc(I)c[nH]1)c1ccccc1 ZINC000115322961 655234898 /nfs/dbraw/zinc/23/48/98/655234898.db2.gz RSLNVWQMHLAOLF-LBPRGKRZSA-N 0 0 398.200 2.654 10 0 GFAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000115372526 655236382 /nfs/dbraw/zinc/23/63/82/655236382.db2.gz YXEQRICSCUIAOA-GFCCVEGCSA-N 0 0 398.248 2.856 10 0 GFAERN Cc1cnn([C@H]2CCCN(C(=O)c3cc(I)c[nH]3)C2)c1 ZINC000115372576 655236432 /nfs/dbraw/zinc/23/64/32/655236432.db2.gz YYBOQKBKPLAGNC-LBPRGKRZSA-N 0 0 384.221 2.602 10 0 GFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000176226003 655240257 /nfs/dbraw/zinc/24/02/57/655240257.db2.gz LHPGJBBQWAHDOH-QMMMGPOBSA-N 0 0 378.185 2.530 10 0 GFAERN Cc1ccc(I)c(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116118610 655244189 /nfs/dbraw/zinc/24/41/89/655244189.db2.gz IUMYICBZEFNJJT-GFCCVEGCSA-N 0 0 395.244 2.963 10 0 GFAERN Cc1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000176422500 655244976 /nfs/dbraw/zinc/24/49/76/655244976.db2.gz QABKJAIAJXSRGF-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN O=C(CNC(=O)c1ccc(Br)s1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000176463587 655246428 /nfs/dbraw/zinc/24/64/28/655246428.db2.gz VYLJYMSCXFAWAD-LLVKDONJSA-N 0 0 397.298 2.717 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cc(C(F)(F)F)ccc1Cl ZINC000176746447 655254733 /nfs/dbraw/zinc/25/47/33/655254733.db2.gz KTVORZLCSAZKRY-JTQLQIEISA-N 0 0 380.779 2.764 10 0 GFAERN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000176950768 655263482 /nfs/dbraw/zinc/26/34/82/655263482.db2.gz KPDXYDKKNKMTHU-ABAIWWIYSA-N 0 0 399.285 2.859 10 0 GFAERN Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c1 ZINC000117808376 655268368 /nfs/dbraw/zinc/26/83/68/655268368.db2.gz UEAOWFXOHGYRKR-GFCCVEGCSA-N 0 0 381.263 2.668 10 0 GFAERN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C)cs3)C2)o1 ZINC000177520335 655279214 /nfs/dbraw/zinc/27/92/14/655279214.db2.gz VBCYNIZTZMNPKP-LBPRGKRZSA-N 0 0 384.479 2.790 10 0 GFAERN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177553510 655281172 /nfs/dbraw/zinc/28/11/72/655281172.db2.gz KXVCXRIFNSGSHS-NOZJJQNGSA-N 0 0 378.778 2.965 10 0 GFAERN Cc1ccc(OCCC(=O)N[C@H]2CCCn3ncnc32)c(Br)c1 ZINC000177579415 655282466 /nfs/dbraw/zinc/28/24/66/655282466.db2.gz ORGJWXVPPTXCBS-ZDUSSCGKSA-N 0 0 379.258 2.769 10 0 GFAERN Cc1cccc(C(=O)N2CCCN(c3cccnn3)CC2)c1Br ZINC000119046911 655287810 /nfs/dbraw/zinc/28/78/10/655287810.db2.gz ZLVUPJDWDDRADZ-UHFFFAOYSA-N 0 0 375.270 2.900 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2cc(F)ccc2Br)cn1 ZINC000119387531 655302192 /nfs/dbraw/zinc/30/21/92/655302192.db2.gz WHIVENMCWHEIFK-CQSZACIVSA-N 0 0 395.232 2.624 10 0 GFAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000119390413 655302201 /nfs/dbraw/zinc/30/22/01/655302201.db2.gz RKFRUCLJQSEASS-VIFPVBQESA-N 0 0 379.214 2.698 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000180379049 655326118 /nfs/dbraw/zinc/32/61/18/655326118.db2.gz LWBSXRQBPUSDAD-ZCFIWIBFSA-N 0 0 389.342 2.733 10 0 GFAERN O=C(Nc1cccnc1Br)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000181366808 655336321 /nfs/dbraw/zinc/33/63/21/655336321.db2.gz DCILCVUXSLPBRV-UHFFFAOYSA-N 0 0 378.270 2.724 10 0 GFAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000120473635 655336536 /nfs/dbraw/zinc/33/65/36/655336536.db2.gz NXACHMRCZAXPAT-VIFPVBQESA-N 0 0 381.816 2.545 10 0 GFAERN COC(=O)N[C@@H](C(=O)N1CCc2c(Br)ccc(F)c2C1)C(C)C ZINC000183760416 655353397 /nfs/dbraw/zinc/35/33/97/655353397.db2.gz CNKLQXXXOUXRKN-CQSZACIVSA-N 0 0 387.249 2.854 10 0 GFAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1nc(Br)cs1 ZINC000188758274 655381736 /nfs/dbraw/zinc/38/17/36/655381736.db2.gz HAKPAMYCKVIEPB-VIFPVBQESA-N 0 0 387.280 2.554 10 0 GFAERN Cc1noc(Cl)c1CC(=O)NNc1ccc([N+](=O)[O-])cc1Br ZINC000189236948 655385539 /nfs/dbraw/zinc/38/55/39/655385539.db2.gz LELCTYHRIQHZSH-UHFFFAOYSA-N 0 0 389.593 2.993 10 0 GFAERN CCc1nnc(C[S@](=O)Cc2c(C)nn(-c3ccccc3)c2Cl)n1C ZINC000194159291 655414396 /nfs/dbraw/zinc/41/43/96/655414396.db2.gz RZJIPEQGTBPRDS-RUZDIDTESA-N 0 0 377.901 2.974 10 0 GFAERN CCCCN1CCOC[C@H]1C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000248647426 655432961 /nfs/dbraw/zinc/43/29/61/655432961.db2.gz SWPBQZBHLYTRKW-JKSUJKDBSA-N 0 0 375.296 2.644 10 0 GFAERN COc1cc(Br)ccc1CNC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263532184 655452441 /nfs/dbraw/zinc/45/24/41/655452441.db2.gz XCSZHZIKKSNXKX-UHFFFAOYSA-N 0 0 397.313 2.875 10 0 GFAERN Cc1cc(Br)cnc1NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702856797 655521917 /nfs/dbraw/zinc/52/19/17/655521917.db2.gz JJOKKMOTEFMYGU-DGCLKSJQSA-N 0 0 386.290 2.792 10 0 GFAERN Cn1nc(C(F)(F)F)c(NC(=O)NC[C@@H]2CCc3nccn3C2)c1Cl ZINC000889202990 663236038 /nfs/dbraw/zinc/23/60/38/663236038.db2.gz YHVRIHKEIIAMIA-QMMMGPOBSA-N 0 0 376.770 2.673 10 0 GFAERN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000004258130 206293091 /nfs/dbraw/zinc/29/30/91/206293091.db2.gz JTGLGPBZTRBHOC-XIRDDKMYSA-N 0 0 392.496 2.826 10 0 GFAERN CC(=O)c1ccc(C(=O)NCCCc2c(-c3ccccc3)nc(N)[nH]c2=O)cc1 ZINC000017039724 206297026 /nfs/dbraw/zinc/29/70/26/206297026.db2.gz PKHXCKSDNIAVIV-UHFFFAOYSA-N 0 0 390.443 2.584 10 0 GFAERN C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3ccc(Cl)cc3)CC2)C1=O ZINC000031320180 206302808 /nfs/dbraw/zinc/30/28/08/206302808.db2.gz UAKLTFBWZYUSKE-OAQYLSRUSA-N 0 0 398.894 2.887 10 0 GFAERN CCC(=O)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CCCC1 ZINC000001368295 206375697 /nfs/dbraw/zinc/37/56/97/206375697.db2.gz GPIKPIAHRRUMQD-UHFFFAOYSA-N 0 0 377.510 2.846 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCc2ccccc2)c1 ZINC000003020421 206453256 /nfs/dbraw/zinc/45/32/56/206453256.db2.gz MVARWYGLXFYBKZ-UHFFFAOYSA-N 0 0 378.469 2.829 10 0 GFAERN Cc1csc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 ZINC000014975122 207037609 /nfs/dbraw/zinc/03/76/09/207037609.db2.gz ISBZYDNEIVPCHC-OAHLLOKOSA-N 0 0 375.469 2.688 10 0 GFAERN CC(C)CCn1c(CN(C)Cc2cnccn2)cnc1S(=O)(=O)C(C)C ZINC000015074332 207047274 /nfs/dbraw/zinc/04/72/74/207047274.db2.gz KHQYOVXNIDXYPY-UHFFFAOYSA-N 0 0 379.530 2.533 10 0 GFAERN CCOc1ccccc1-c1n[nH]c2c1CN(C(=O)Cn1cc(Cl)cn1)CC2 ZINC000019222560 207107402 /nfs/dbraw/zinc/10/74/02/207107402.db2.gz RGJLNFNCRRRGSX-UHFFFAOYSA-N 0 0 385.855 2.910 10 0 GFAERN C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)n1ncn2c3ccoc3cc2c1=O ZINC000020863455 207217151 /nfs/dbraw/zinc/21/71/51/207217151.db2.gz UKNFWBIXFRMTMA-LSDHHAIUSA-N 0 0 378.432 2.941 10 0 GFAERN Cc1ccc(C(=O)NCc2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1 ZINC000021883663 207241022 /nfs/dbraw/zinc/24/10/22/207241022.db2.gz FFKPHYXJKFTLNZ-UHFFFAOYSA-N 0 0 378.432 2.812 10 0 GFAERN Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(C)c2=O)C1 ZINC000022596461 207256828 /nfs/dbraw/zinc/25/68/28/207256828.db2.gz DPTQKJXFLOEOPV-GOSISDBHSA-N 0 0 390.487 2.775 10 0 GFAERN CCn1c(SCc2cccs2)nnc(Nc2ccc(C(N)=O)cc2)c1=O ZINC000028538086 207343915 /nfs/dbraw/zinc/34/39/15/207343915.db2.gz FLLAPPOYZGWCHL-UHFFFAOYSA-N 0 0 387.490 2.855 10 0 GFAERN CCc1nn(C(N)=O)cc1NC(=O)c1ccc(COc2ccc(C(C)=O)cc2)o1 ZINC000032604207 207399303 /nfs/dbraw/zinc/39/93/03/207399303.db2.gz TVYVATMOXLMKBE-UHFFFAOYSA-N 0 0 396.403 2.999 10 0 GFAERN CN(CCc1noc(COc2ccc(Cl)cc2)n1)C(=O)NC[C@H]1CCCO1 ZINC000035479508 207491371 /nfs/dbraw/zinc/49/13/71/207491371.db2.gz AFCRVECRDKEXFE-OAHLLOKOSA-N 0 0 394.859 2.665 10 0 GFAERN O=C(NC[C@@H]1CCCO1)c1ncoc1-c1ccccc1C(=O)N1CCCCC1 ZINC000065079963 207833446 /nfs/dbraw/zinc/83/34/46/207833446.db2.gz ZRBVUQLJQQUWNN-HNNXBMFYSA-N 0 0 383.448 2.877 10 0 GFAERN COCCCNC(=O)c1cc2c(s1)CCN(C(=O)c1ccc(F)cc1)C2 ZINC000065201545 207845135 /nfs/dbraw/zinc/84/51/35/207845135.db2.gz JHSFMBQNICUPGQ-UHFFFAOYSA-N 0 0 376.453 2.852 10 0 GFAERN Cc1nnsc1CN1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000091625546 208129652 /nfs/dbraw/zinc/12/96/52/208129652.db2.gz ZFGCJAKKPIQKOB-HXUWFJFHSA-N 0 0 385.537 2.689 10 0 GFAERN COc1ccc(-c2c(C)c3ccc4c(c3oc2=O)CN(CCO)CO4)cc1OC ZINC000094993434 208150999 /nfs/dbraw/zinc/15/09/99/208150999.db2.gz ZGZDZUZAJOUCOL-UHFFFAOYSA-N 0 0 397.427 2.930 10 0 GFAERN COc1ccc(CS(=O)(=O)N(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000095076370 208152033 /nfs/dbraw/zinc/15/20/33/208152033.db2.gz VKOGZWDWXPZRNH-MRXNPFEDSA-N 0 0 398.525 2.856 10 0 GFAERN COc1ccc(CS(=O)(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000095076375 208152562 /nfs/dbraw/zinc/15/25/62/208152562.db2.gz BIOZJRKXFHDPRJ-UHFFFAOYSA-N 0 0 384.498 2.514 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@H]1CS(=O)(=O)c1cnc2ccccc2n1 ZINC000095085986 208154513 /nfs/dbraw/zinc/15/45/13/208154513.db2.gz JBLDJNZBJXABRN-ZDUSSCGKSA-N 0 0 377.466 2.803 10 0 GFAERN CCOc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)CC23CCCCC3)cc1 ZINC000096309579 208304896 /nfs/dbraw/zinc/30/48/96/208304896.db2.gz JCRSFVWBQGQLOH-QGZVFWFLSA-N 0 0 380.510 2.866 10 0 GFAERN COc1ccc(C(=O)NC2CCN(c3cc(-c4cccnc4)[nH]n3)CC2)cc1 ZINC000097940685 208363563 /nfs/dbraw/zinc/36/35/63/208363563.db2.gz RLDCRBSCXANSTQ-UHFFFAOYSA-N 0 0 377.448 2.879 10 0 GFAERN Cc1cc(Sc2nc(NCC(C)C)nc(N3CCOCC3)n2)nc(Cl)n1 ZINC000026960610 208911503 /nfs/dbraw/zinc/91/15/03/208911503.db2.gz SOETVRGGPZQPJJ-UHFFFAOYSA-N 0 0 395.920 2.679 10 0 GFAERN CC(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1N1CCC(C(N)=O)CC1 ZINC000039320734 136153735 /nfs/dbraw/zinc/15/37/35/136153735.db2.gz LLFPBDCDRLOOHU-UHFFFAOYSA-N 0 0 378.416 2.589 10 0 GFAERN CC(C)c1noc(C2CCN(C(=O)CN3C(=O)CCc4ccccc43)CC2)n1 ZINC000095524541 136181499 /nfs/dbraw/zinc/18/14/99/136181499.db2.gz IWMIYYWCYPKFFX-UHFFFAOYSA-N 0 0 382.464 2.878 10 0 GFAERN C[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000401703981 563535242 /nfs/dbraw/zinc/53/52/42/563535242.db2.gz POQZJMLWNMJURE-PSASIEDQSA-N 0 0 379.625 2.788 10 0 GFAERN Ic1nccc(OC2CC2)c1I ZINC000095734670 222359113 /nfs/dbraw/zinc/35/91/13/222359113.db2.gz QAGMRYFXXNLIDX-UHFFFAOYSA-N 0 0 386.958 2.832 10 0 GFAERN Ic1cncc(I)c1OC1CC1 ZINC000095734532 222359488 /nfs/dbraw/zinc/35/94/88/222359488.db2.gz BRAMCAABETXMQN-UHFFFAOYSA-N 0 0 386.958 2.832 10 0 GFAERN CC(=O)c1cc(CCNC(=O)OC(C)(C)C)cc(I)n1 ZINC000095767997 222361422 /nfs/dbraw/zinc/36/14/22/222361422.db2.gz NTJZWXBULHSALM-UHFFFAOYSA-N 0 0 390.221 2.956 10 0 GFAERN COc1ccc(O)c([C@H]2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)c1 ZINC000504065767 534205437 /nfs/dbraw/zinc/20/54/37/534205437.db2.gz JGVIOWOSPPNINS-CYBMUJFWSA-N 0 0 376.361 2.839 10 0 GFAERN O=C1C(=O)N(Cc2ccc(Nc3ncccn3)cc2)CCN1Cc1ccccc1 ZINC000033874738 526955820 /nfs/dbraw/zinc/95/58/20/526955820.db2.gz ZCLGFADSFCRJBR-UHFFFAOYSA-N 0 0 387.443 2.591 10 0 GFAERN O=C([O-])CCSc1nc2ccccc2c(=O)n1CCC[NH+]1CCCCC1 ZINC000073660197 527594407 /nfs/dbraw/zinc/59/44/07/527594407.db2.gz OPYCYHCDYUUFCZ-UHFFFAOYSA-N 0 0 375.494 2.839 10 0 GFAERN C[C@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccc(Cl)s1 ZINC000033193219 551133373 /nfs/dbraw/zinc/13/33/73/551133373.db2.gz QYMWFTGSEAUINA-JTQLQIEISA-N 0 0 377.853 2.944 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1cccc(Cl)c1 ZINC000048779502 551157564 /nfs/dbraw/zinc/15/75/64/551157564.db2.gz VRBDCIPIMGIUGV-VIFPVBQESA-N 0 0 380.231 2.908 10 0 GFAERN COC(=O)CSCCNC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000105645473 551199537 /nfs/dbraw/zinc/19/95/37/551199537.db2.gz QCCYGAJVJWGBJI-SNVBAGLBSA-N 0 0 375.288 2.716 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000116370011 551213327 /nfs/dbraw/zinc/21/33/27/551213327.db2.gz UEHGJIYEQUMHHP-LBPRGKRZSA-N 0 0 384.299 2.669 10 0 GFAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3F)C2)cn1 ZINC000116370070 551213520 /nfs/dbraw/zinc/21/35/20/551213520.db2.gz LWKWVIMXKXJGTJ-SNVBAGLBSA-N 0 0 377.363 2.756 10 0 GFAERN CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000120009722 551218888 /nfs/dbraw/zinc/21/88/88/551218888.db2.gz CSQCGQQXJCUCFA-INIZCTEOSA-N 0 0 389.323 2.927 10 0 GFAERN COc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)c(I)c1 ZINC000121194843 551229232 /nfs/dbraw/zinc/22/92/32/551229232.db2.gz YHYWZFPUZYGWFA-RNCFNFMXSA-N 0 0 375.206 2.597 10 0 GFAERN CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000121500107 551235829 /nfs/dbraw/zinc/23/58/29/551235829.db2.gz ABMSJXFEYBVZDQ-MRXNPFEDSA-N 0 0 398.345 2.947 10 0 GFAERN O=C(COc1ccccc1Br)N1CCC(Cn2cccn2)CC1 ZINC000122503010 551298606 /nfs/dbraw/zinc/29/86/06/551298606.db2.gz BCBASLMFPLMFGF-UHFFFAOYSA-N 0 0 378.270 2.963 10 0 GFAERN O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123141797 551303801 /nfs/dbraw/zinc/30/38/01/551303801.db2.gz YPQRWBRLMPILBZ-APPDUMDISA-N 0 0 399.260 2.680 10 0 GFAERN O=C(NCc1ccc(O)c(Br)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000126300672 551328014 /nfs/dbraw/zinc/32/80/14/551328014.db2.gz VPNNUICCUDJPAS-DYVFJYSZSA-N 0 0 383.286 2.991 10 0 GFAERN O=C(Cc1cccc(I)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000127265510 551339470 /nfs/dbraw/zinc/33/94/70/551339470.db2.gz OPYAOPQPDVQMSA-UHFFFAOYSA-N 0 0 395.244 2.963 10 0 GFAERN O=C(N[C@@H]1CCc2ncnn2C1)N(Cc1csc(Br)c1)C1CC1 ZINC000127678025 551343154 /nfs/dbraw/zinc/34/31/54/551343154.db2.gz YLTIFUVRJLQGIY-LLVKDONJSA-N 0 0 396.314 2.791 10 0 GFAERN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1Br ZINC000128272201 551348025 /nfs/dbraw/zinc/34/80/25/551348025.db2.gz IVUUDGYEGTWPAT-HNNXBMFYSA-N 0 0 376.254 2.976 10 0 GFAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128271697 551348097 /nfs/dbraw/zinc/34/80/97/551348097.db2.gz QGQWOQYNORSRHR-IUODEOHRSA-N 0 0 379.400 2.901 10 0 GFAERN CCNc1ncc(C(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)s1 ZINC000129596767 551358173 /nfs/dbraw/zinc/35/81/73/551358173.db2.gz IYIIICCPGIGTCN-ZDUSSCGKSA-N 0 0 380.539 2.782 10 0 GFAERN COc1cc(Br)ccc1CCCN1CCS(=O)(=O)[C@H](C)C1 ZINC000130057710 551361501 /nfs/dbraw/zinc/36/15/01/551361501.db2.gz DEJYRUPUTYGRSF-GFCCVEGCSA-N 0 0 376.316 2.509 10 0 GFAERN COc1cc(Br)ccc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135309329 551387331 /nfs/dbraw/zinc/38/73/31/551387331.db2.gz KVJTYEZXECSJHV-CYBMUJFWSA-N 0 0 391.269 2.647 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(F)c(Br)c1 ZINC000151279412 551410888 /nfs/dbraw/zinc/41/08/88/551410888.db2.gz ANVCYAFSYUSLHG-ZDUSSCGKSA-N 0 0 381.249 2.936 10 0 GFAERN C[C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)O1 ZINC000151780298 551421083 /nfs/dbraw/zinc/42/10/83/551421083.db2.gz ZTHGMHVSJJBEGM-LRDDRELGSA-N 0 0 385.277 2.800 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(I)c(F)cc1F ZINC000152158007 551427620 /nfs/dbraw/zinc/42/76/20/551427620.db2.gz AMPTVSHIGMXZLZ-NEPJUHHUSA-N 0 0 381.160 2.603 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1cc(Br)cn1C ZINC000152186855 551427831 /nfs/dbraw/zinc/42/78/31/551427831.db2.gz DXGBSJFTJKZVPK-CYBMUJFWSA-N 0 0 395.305 2.618 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(O)c(Br)c1 ZINC000152232657 551429011 /nfs/dbraw/zinc/42/90/11/551429011.db2.gz ZLAULFQOXYSGJN-GFCCVEGCSA-N 0 0 394.273 2.643 10 0 GFAERN CSCC[C@@H](NC(=O)[C@H](C)N1CCSCC1)c1nc2ccccc2[nH]1 ZINC000152325880 551430895 /nfs/dbraw/zinc/43/08/95/551430895.db2.gz HXARCIOSFUUAHU-XJKSGUPXSA-N 0 0 378.567 2.911 10 0 GFAERN Cc1ccc(Br)c(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000152862683 551441285 /nfs/dbraw/zinc/44/12/85/551441285.db2.gz UPEZKDUWPXWTAL-UHFFFAOYSA-N 0 0 391.313 2.839 10 0 GFAERN C[C@@H](NC(=O)N(C)Cc1cc(Br)cn1C)c1nnc2n1CCCC2 ZINC000152928816 551443222 /nfs/dbraw/zinc/44/32/22/551443222.db2.gz UGUDEYANZVOHQH-LLVKDONJSA-N 0 0 395.305 2.618 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Cc3cc(Cl)ccc3Br)CCO2)[nH]1 ZINC000153223533 551448493 /nfs/dbraw/zinc/44/84/93/551448493.db2.gz ZWZBTVWVCYKOQO-CYBMUJFWSA-N 0 0 399.676 2.672 10 0 GFAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)Cc1cc(Br)cn1C ZINC000153672663 551457963 /nfs/dbraw/zinc/45/79/63/551457963.db2.gz AREOXWMVCGNVOB-LBPRGKRZSA-N 0 0 393.285 2.956 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1O)c1ccc(Cl)c(I)c1 ZINC000153994935 551465010 /nfs/dbraw/zinc/46/50/10/551465010.db2.gz OBNQGKYPPWIKFE-NWDGAFQWSA-N 0 0 379.625 2.978 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)cc1F ZINC000155180293 551493470 /nfs/dbraw/zinc/49/34/70/551493470.db2.gz GZJGHCCKJSQHNX-GFCCVEGCSA-N 0 0 383.221 2.591 10 0 GFAERN Cc1ccc(I)cc1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000155167547 551493531 /nfs/dbraw/zinc/49/35/31/551493531.db2.gz KUSLZIZELFMJMP-GFCCVEGCSA-N 0 0 395.244 2.963 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)CSc2nc3ccccc3s2)n1 ZINC000155425676 551499457 /nfs/dbraw/zinc/49/94/57/551499457.db2.gz AMNSPYBIDNEHHK-GFCCVEGCSA-N 0 0 376.463 2.680 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)CCc2ccccc2Br)n1 ZINC000155436972 551499844 /nfs/dbraw/zinc/49/98/44/551499844.db2.gz RNQGMSNKGLUODO-AWEZNQCLSA-N 0 0 380.242 2.673 10 0 GFAERN C[C@@H](CNC(=O)N[C@@H](C)c1cccc(Br)c1)CN1CCOCC1 ZINC000156176233 551516330 /nfs/dbraw/zinc/51/63/30/551516330.db2.gz YLXGLBIHRPQGAM-KBPBESRZSA-N 0 0 384.318 2.778 10 0 GFAERN C[C@H](CNC(=O)N[C@H](C)c1cccc(Br)c1)CN1CCOCC1 ZINC000156176599 551516558 /nfs/dbraw/zinc/51/65/58/551516558.db2.gz YLXGLBIHRPQGAM-ZIAGYGMSSA-N 0 0 384.318 2.778 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000157069073 551532556 /nfs/dbraw/zinc/53/25/56/551532556.db2.gz WXJVYCJGWIYSMD-LLVKDONJSA-N 0 0 375.281 2.961 10 0 GFAERN O=S(=O)(c1cccc(F)c1F)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158591502 551554035 /nfs/dbraw/zinc/55/40/35/551554035.db2.gz XQDBDOLBZHOXAT-IINYFYTJSA-N 0 0 375.343 2.740 10 0 GFAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC000170754975 551638536 /nfs/dbraw/zinc/63/85/36/551638536.db2.gz KOVKZGUZIQCVFY-STQMWFEESA-N 0 0 378.226 2.691 10 0 GFAERN C[C@@H]1CN(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CCS1 ZINC000170882340 551642369 /nfs/dbraw/zinc/64/23/69/551642369.db2.gz MIHLUKDYVZHFBL-RHSMWYFYSA-N 0 0 383.945 2.860 10 0 GFAERN COC(=O)[C@H]1CCCN1C(=O)c1ccc(I)cc1Cl ZINC000171052782 551645067 /nfs/dbraw/zinc/64/50/67/551645067.db2.gz UNZILUPZDBPLSS-LLVKDONJSA-N 0 0 393.608 2.722 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c(Br)c1 ZINC000171396053 551654560 /nfs/dbraw/zinc/65/45/60/551654560.db2.gz ZAUVVOUEBUBETQ-OAHLLOKOSA-N 0 0 391.269 2.793 10 0 GFAERN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]1c1cnn(C)c1 ZINC000171413352 551655070 /nfs/dbraw/zinc/65/50/70/551655070.db2.gz PKTOWMXSNXQZQR-KRWDZBQOSA-N 0 0 391.313 2.978 10 0 GFAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)nc3Cl)C2)c1 ZINC000171778854 551663131 /nfs/dbraw/zinc/66/31/31/551663131.db2.gz XNHCUJTZYIGWRA-LLVKDONJSA-N 0 0 375.281 2.919 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NCCc2ccc(Br)cc2)ncn1 ZINC000172239382 551674322 /nfs/dbraw/zinc/67/43/22/551674322.db2.gz HCLSHYPMSKCTSX-HNNXBMFYSA-N 0 0 377.286 2.855 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)NCCc3ccc(Br)cc3)C2)cn1 ZINC000172291181 551675541 /nfs/dbraw/zinc/67/55/41/551675541.db2.gz COHCIVZRRCMSJC-CQSZACIVSA-N 0 0 377.286 2.924 10 0 GFAERN CC(C)(C(=O)N1CC[C@@H](N2CCOCC2)C1)c1cccc(Br)c1 ZINC000172764549 551686465 /nfs/dbraw/zinc/68/64/65/551686465.db2.gz HFABUNVKARPZDD-MRXNPFEDSA-N 0 0 381.314 2.660 10 0 GFAERN CC(C)n1nnnc1CNc1cc(F)c(F)cc1I ZINC000172992447 551691647 /nfs/dbraw/zinc/69/16/47/551691647.db2.gz IWOFLKLTMGAHLM-UHFFFAOYSA-N 0 0 379.152 2.749 10 0 GFAERN C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)C[C@H]1N1CCOCC1 ZINC000173395885 552085131 /nfs/dbraw/zinc/08/51/31/552085131.db2.gz RCZMTWQMHASMFI-SWLSCSKDSA-N 0 0 392.297 2.723 10 0 GFAERN O=C(NCCc1ccc(Br)s1)N1CCC[C@H](n2cncn2)C1 ZINC000173635791 552089940 /nfs/dbraw/zinc/08/99/40/552089940.db2.gz JVDXSEPKZAJZIB-NSHDSACASA-N 0 0 384.303 2.691 10 0 GFAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1Br ZINC000173828684 552093313 /nfs/dbraw/zinc/09/33/13/552093313.db2.gz OOGBVUCJAPQXRQ-QWHCGFSZSA-N 0 0 391.306 2.836 10 0 GFAERN O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@@H]1Cn1ccnc1 ZINC000173836457 552093814 /nfs/dbraw/zinc/09/38/14/552093814.db2.gz OESBNKQHTHJXPI-GFCCVEGCSA-N 0 0 388.262 2.638 10 0 GFAERN C[C@@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000173845011 552093888 /nfs/dbraw/zinc/09/38/88/552093888.db2.gz VBYQILYORVUMSW-PBHICJAKSA-N 0 0 395.341 2.906 10 0 GFAERN COc1ccc(Br)cc1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000173856022 552094871 /nfs/dbraw/zinc/09/48/71/552094871.db2.gz ITLPZOFQZMTWCL-CYBMUJFWSA-N 0 0 393.285 2.531 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1C ZINC000174346464 552102686 /nfs/dbraw/zinc/10/26/86/552102686.db2.gz IPANUKZKXKJSMP-UONOGXRCSA-N 0 0 383.330 2.640 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000174906259 552112567 /nfs/dbraw/zinc/11/25/67/552112567.db2.gz UKPVJHIXSINILM-KGLIPLIRSA-N 0 0 387.571 2.979 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)N(C)Cc2nccs2)N2CCOCC2)s1 ZINC000174985866 552113165 /nfs/dbraw/zinc/11/31/65/552113165.db2.gz JHTFHUYNSIQWKJ-CQSZACIVSA-N 0 0 380.539 2.728 10 0 GFAERN Cc1cccc(S(=O)(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000175212196 552117466 /nfs/dbraw/zinc/11/74/66/552117466.db2.gz ZIKACMXFCSQEEZ-KRWDZBQOSA-N 0 0 380.535 2.751 10 0 GFAERN O=S(=O)(CCN1CCO[C@@H]2CCCC[C@@H]21)c1cccc(Br)c1 ZINC000175597691 552125466 /nfs/dbraw/zinc/12/54/66/552125466.db2.gz QRVXLVTZPZEMQO-JKSUJKDBSA-N 0 0 388.327 2.866 10 0 GFAERN COC(=O)CC1(CS(=O)(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000175736527 552127747 /nfs/dbraw/zinc/12/77/47/552127747.db2.gz BXOVHXXVTRMFFS-NSHDSACASA-N 0 0 390.299 2.773 10 0 GFAERN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(F)cc1F ZINC000175781011 552129092 /nfs/dbraw/zinc/12/90/92/552129092.db2.gz KLXQFGWAPMIVAC-LLVKDONJSA-N 0 0 389.445 2.716 10 0 GFAERN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000175950946 552132760 /nfs/dbraw/zinc/13/27/60/552132760.db2.gz WAPIRWALFBIPLR-GXTWGEPZSA-N 0 0 379.913 2.816 10 0 GFAERN CC[C@H](NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1 ZINC000176349825 552139377 /nfs/dbraw/zinc/13/93/77/552139377.db2.gz RTKVVOYYDGKXSG-ABAIWWIYSA-N 0 0 388.295 2.991 10 0 GFAERN O=C(NCC1(c2cccc(Br)c2)CC1)N[C@H]1CCCn2ncnc21 ZINC000177340141 552153185 /nfs/dbraw/zinc/15/31/85/552153185.db2.gz ZQBUWMNPYFDWCV-AWEZNQCLSA-N 0 0 390.285 2.907 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000177718702 552157859 /nfs/dbraw/zinc/15/78/59/552157859.db2.gz XJSFRHIKXRODKA-YGRLFVJLSA-N 0 0 379.258 2.768 10 0 GFAERN C[C@H]1CN(C(=O)Nc2cc(Br)ccc2F)C[C@@H]1N1CCOCC1 ZINC000177849641 552160054 /nfs/dbraw/zinc/16/00/54/552160054.db2.gz YNNQAENSHCIWGQ-NHYWBVRUSA-N 0 0 386.265 2.773 10 0 GFAERN C[C@H](CNC(=O)NC(C)(C)c1ccccc1Br)N1CCOCC1 ZINC000178929896 552179713 /nfs/dbraw/zinc/17/97/13/552179713.db2.gz DTVSIHAIRMMQMG-CYBMUJFWSA-N 0 0 384.318 2.704 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000179713482 552200751 /nfs/dbraw/zinc/20/07/51/552200751.db2.gz KWPRFKBCQBTISQ-HNNXBMFYSA-N 0 0 388.295 2.820 10 0 GFAERN O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N[C@@H]1COc2ccccc21 ZINC000179913035 552207177 /nfs/dbraw/zinc/20/71/77/552207177.db2.gz MJMNMRPYODLBOH-GFCCVEGCSA-N 0 0 397.175 2.916 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)c(Br)n1 ZINC000181339911 552253712 /nfs/dbraw/zinc/25/37/12/552253712.db2.gz HXKIKGZOFOTZGL-LBPRGKRZSA-N 0 0 390.237 2.731 10 0 GFAERN COCc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)ncn1 ZINC000181348794 552254257 /nfs/dbraw/zinc/25/42/57/552254257.db2.gz XWABLKZSTSDDQM-SECBINFHSA-N 0 0 383.235 2.746 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)CCC(=O)Nc2ccccc2Cl)n1C ZINC000182390740 552282587 /nfs/dbraw/zinc/28/25/87/552282587.db2.gz WNSHTGAMBOXFRU-UHFFFAOYSA-N 0 0 384.889 2.536 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)CCc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000182481983 552285687 /nfs/dbraw/zinc/28/56/87/552285687.db2.gz UZAJLYMDYPTBDB-CQSZACIVSA-N 0 0 397.248 2.547 10 0 GFAERN CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000182620978 552289007 /nfs/dbraw/zinc/28/90/07/552289007.db2.gz WOMBCYOGSVUFKY-GFCCVEGCSA-N 0 0 384.274 2.842 10 0 GFAERN COC(=O)c1cc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1Br ZINC000182639982 552289614 /nfs/dbraw/zinc/28/96/14/552289614.db2.gz RYMIDGFTLCEJMQ-HZMBPMFUSA-N 0 0 385.258 2.908 10 0 GFAERN O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000183145036 552301550 /nfs/dbraw/zinc/30/15/50/552301550.db2.gz ZPQTZJUTGFBYON-KBPBESRZSA-N 0 0 395.253 2.564 10 0 GFAERN O=C(NC[C@H]1CSCCS1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000183260853 552304496 /nfs/dbraw/zinc/30/44/96/552304496.db2.gz SONXAICMUILIND-KBPBESRZSA-N 0 0 381.571 2.700 10 0 GFAERN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000183592361 552314154 /nfs/dbraw/zinc/31/41/54/552314154.db2.gz NKUOTAQWTOLEHR-LRDDRELGSA-N 0 0 384.263 2.805 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3cc(F)c(Br)cc3C)CCO2)[nH]1 ZINC000184832598 552345084 /nfs/dbraw/zinc/34/50/84/552345084.db2.gz WFUPYGXTALNPCF-CYBMUJFWSA-N 0 0 398.236 2.929 10 0 GFAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CCN1C[C@@H](C)O ZINC000185792724 552370676 /nfs/dbraw/zinc/37/06/76/552370676.db2.gz XTBBPUNSINUFDS-CHWSQXEVSA-N 0 0 392.974 2.528 10 0 GFAERN O=C(NC1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1)C1CCC1 ZINC000186173691 552381126 /nfs/dbraw/zinc/38/11/26/552381126.db2.gz SBNCLCZHKZWUOK-UHFFFAOYSA-N 0 0 396.818 2.648 10 0 GFAERN C[C@H](NC(=O)c1scnc1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000186339238 552385619 /nfs/dbraw/zinc/38/56/19/552385619.db2.gz DDAJYLULTPPSRS-NSHDSACASA-N 0 0 379.507 2.939 10 0 GFAERN CC[C@H]1CN(Cc2cccc(Cl)c2S(=O)(=O)CC)CCN1CCOC ZINC000186941175 552402473 /nfs/dbraw/zinc/40/24/73/552402473.db2.gz SGRCHUKMRUIKLH-INIZCTEOSA-N 0 0 388.961 2.676 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)COc2ccccc2Br)C12CCOCC2 ZINC000187155962 552407961 /nfs/dbraw/zinc/40/79/61/552407961.db2.gz AYIKDSYAXPRRPX-JKSUJKDBSA-N 0 0 398.297 2.918 10 0 GFAERN CCCCc1nnc(NC(=O)CN2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000188076608 552434179 /nfs/dbraw/zinc/43/41/79/552434179.db2.gz DHEKNTLXQQLXPP-KBPBESRZSA-N 0 0 380.539 2.589 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000188227205 552439806 /nfs/dbraw/zinc/43/98/06/552439806.db2.gz UCRTUBRMLUDADN-YVEFUNNKSA-N 0 0 383.286 2.928 10 0 GFAERN O=C(NC1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1)C1CCC1 ZINC000188550711 552447600 /nfs/dbraw/zinc/44/76/00/552447600.db2.gz OUBQYINYVXPFBS-JKSUJKDBSA-N 0 0 377.282 2.680 10 0 GFAERN CC(C)[C@](C)(NC(=O)NC[C@@H]1CN(C)CCO1)c1ccc(Br)cc1 ZINC000188634203 552450920 /nfs/dbraw/zinc/45/09/20/552450920.db2.gz VHXIOEQBSOLIBO-AEFFLSMTSA-N 0 0 398.345 2.950 10 0 GFAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000188659985 552451302 /nfs/dbraw/zinc/45/13/02/552451302.db2.gz GXUGLVOJPCBIKV-BFYDXBDKSA-N 0 0 378.881 2.589 10 0 GFAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)cn1 ZINC000189219357 552466028 /nfs/dbraw/zinc/46/60/28/552466028.db2.gz ZMDSJWHFAYGELH-AWEZNQCLSA-N 0 0 390.292 2.972 10 0 GFAERN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000190167164 552489179 /nfs/dbraw/zinc/48/91/79/552489179.db2.gz MFYKXPYZURHICI-DOMZBBRYSA-N 0 0 384.270 2.908 10 0 GFAERN Cc1cccc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1Br ZINC000190471708 552497649 /nfs/dbraw/zinc/49/76/49/552497649.db2.gz PQLXXIQOWOQMLS-ZBFHGGJFSA-N 0 0 396.329 2.620 10 0 GFAERN C[C@H](CNC(=O)Nc1cc(F)cc(F)c1Br)N1CCOCC1 ZINC000190627510 552504044 /nfs/dbraw/zinc/50/40/44/552504044.db2.gz MDULBZDFTMEXSS-SECBINFHSA-N 0 0 378.217 2.570 10 0 GFAERN CCn1cc([C@H]2CN(CC(=O)N(C)Cc3ccc(Cl)s3)CCO2)cn1 ZINC000190759416 552508121 /nfs/dbraw/zinc/50/81/21/552508121.db2.gz UPOCZLQTBQFNGP-OAHLLOKOSA-N 0 0 382.917 2.650 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1Br ZINC000190765959 552508354 /nfs/dbraw/zinc/50/83/54/552508354.db2.gz ZENDPZDITZQGFF-CQSZACIVSA-N 0 0 391.269 2.584 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)c3ccc(Br)c(O)c3)CCO2)cn1 ZINC000191805942 552539089 /nfs/dbraw/zinc/53/90/89/552539089.db2.gz RXVSQFFRBYJQCU-HNNXBMFYSA-N 0 0 380.242 2.585 10 0 GFAERN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000192063275 552548385 /nfs/dbraw/zinc/54/83/85/552548385.db2.gz HULVENBFQCXVEM-ZLIFDBKOSA-N 0 0 387.307 2.860 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1scc(C)c1Br ZINC000192057012 552548620 /nfs/dbraw/zinc/54/86/20/552548620.db2.gz GOEUGYMGTAPOJP-VIFPVBQESA-N 0 0 385.287 2.822 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(Br)c(F)cc1F ZINC000192122119 552551626 /nfs/dbraw/zinc/55/16/26/552551626.db2.gz JBUOUWCPEWTDNG-JTQLQIEISA-N 0 0 397.223 2.916 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CCO2)[nH]1 ZINC000192302790 552558993 /nfs/dbraw/zinc/55/89/93/552558993.db2.gz XJWACJUZJJUMQZ-LLVKDONJSA-N 0 0 385.255 2.862 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)CCO2)n1 ZINC000193943491 553007701 /nfs/dbraw/zinc/00/77/01/553007701.db2.gz SZDVMVGQKOHBNQ-LLVKDONJSA-N 0 0 398.897 2.743 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3c[nH]c4cccc(F)c43)CCO2)n1 ZINC000193949807 553007774 /nfs/dbraw/zinc/00/77/74/553007774.db2.gz CIRSJEVETSLBTI-ZDUSSCGKSA-N 0 0 381.454 2.834 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)Cc3cccc(Cl)c3Cl)CC2)no1 ZINC000194087724 553011096 /nfs/dbraw/zinc/01/10/96/553011096.db2.gz QFKKNUXTFMIUSB-UHFFFAOYSA-N 0 0 383.279 2.962 10 0 GFAERN CCc1nnc(C[S@@](=O)Cc2csc(-c3ccc(OC)cc3)n2)n1C ZINC000194125617 553012418 /nfs/dbraw/zinc/01/24/18/553012418.db2.gz VKQQWLLURFBSAF-VWLOTQADSA-N 0 0 376.507 2.959 10 0 GFAERN CCOC(=O)[C@@H](NC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000194764142 553028633 /nfs/dbraw/zinc/02/86/33/553028633.db2.gz KJVGKTRFOMPRSM-HNNXBMFYSA-N 0 0 380.853 2.552 10 0 GFAERN O=C(c1ccc(F)cc1I)N1CCN2CCCC[C@@H]2C1 ZINC000195057950 553036802 /nfs/dbraw/zinc/03/68/02/553036802.db2.gz QBHFWDNXDCDDFC-GFCCVEGCSA-N 0 0 388.224 2.741 10 0 GFAERN O=C(CCn1c(=S)[nH]nc1-c1cccs1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195320258 553044788 /nfs/dbraw/zinc/04/47/88/553044788.db2.gz LVPIXXPQHWQAKV-ZDUSSCGKSA-N 0 0 377.539 2.756 10 0 GFAERN O=C(c1cc(Cl)ccc1I)N1CCn2ccnc2C1 ZINC000226955963 553062934 /nfs/dbraw/zinc/06/29/34/553062934.db2.gz XRROVBMQLILPNF-UHFFFAOYSA-N 0 0 387.608 2.797 10 0 GFAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)c(Br)c1 ZINC000236553534 553069377 /nfs/dbraw/zinc/06/93/77/553069377.db2.gz NFDSZKUAXWXWPP-ZANVPECISA-N 0 0 382.707 2.932 10 0 GFAERN Cn1cc([C@@H]2CCCN2[C@@H](C(N)=O)c2ccc(Br)cc2F)cn1 ZINC000245435183 553090558 /nfs/dbraw/zinc/09/05/58/553090558.db2.gz CSXKIDBIIOICGX-LSDHHAIUSA-N 0 0 381.249 2.685 10 0 GFAERN NC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000245723800 553095604 /nfs/dbraw/zinc/09/56/04/553095604.db2.gz BCMHORCHXLTLKJ-SUMWQHHRSA-N 0 0 389.297 2.805 10 0 GFAERN CS(=O)(=O)Cc1nc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)cs1 ZINC000247689987 553125178 /nfs/dbraw/zinc/12/51/78/553125178.db2.gz VSCGEZRBRXWOEM-IAGOWNOFSA-N 0 0 380.535 2.776 10 0 GFAERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)o1 ZINC000248257496 553128410 /nfs/dbraw/zinc/12/84/10/553128410.db2.gz PAXJXDFOCSBWRI-KGLIPLIRSA-N 0 0 382.507 2.988 10 0 GFAERN C[C@H]1CN([C@H](CNS(=O)(=O)c2cccc(F)c2)c2cccs2)CCO1 ZINC000248326298 553128451 /nfs/dbraw/zinc/12/84/51/553128451.db2.gz BUNZSZJTIJHHMC-XJKSGUPXSA-N 0 0 384.498 2.628 10 0 GFAERN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000248383030 553128961 /nfs/dbraw/zinc/12/89/61/553128961.db2.gz YYXPNTABYSKTMF-UHOFOFEASA-N 0 0 384.929 2.875 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 ZINC000248507629 553130715 /nfs/dbraw/zinc/13/07/15/553130715.db2.gz XLHBTOAIKHUSNY-ZNMIVQPWSA-N 0 0 392.253 2.844 10 0 GFAERN CC(=O)N[C@H](CC(=O)N[C@H](C)[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000248903017 553137428 /nfs/dbraw/zinc/13/74/28/553137428.db2.gz UNWCXTGKASAHSV-HFBAOOFYSA-N 0 0 383.286 2.700 10 0 GFAERN COCCN1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@@H]1C ZINC000248969906 553137804 /nfs/dbraw/zinc/13/78/04/553137804.db2.gz CJBQSZPHRHYHSN-GUYCJALGSA-N 0 0 386.323 2.751 10 0 GFAERN CC[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CC[N@@H+]1C[C@H](C)O ZINC000249161661 553140214 /nfs/dbraw/zinc/14/02/14/553140214.db2.gz ZYXJWJNIHSGVEB-GJZGRUSLSA-N 0 0 395.341 2.784 10 0 GFAERN CCOCCN1CCN(Cc2cccc(Cl)c2S(=O)(=O)CC)C[C@H]1C ZINC000249448113 553143294 /nfs/dbraw/zinc/14/32/94/553143294.db2.gz NVYYWOTVLFEQNB-OAHLLOKOSA-N 0 0 388.961 2.676 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000249584443 553144787 /nfs/dbraw/zinc/14/47/87/553144787.db2.gz SMCUBGKXPWJCCK-SJKOYZFVSA-N 0 0 383.286 2.654 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000262998039 553180666 /nfs/dbraw/zinc/18/06/66/553180666.db2.gz MMHCJESRHCREME-UHFFFAOYSA-N 0 0 385.917 2.669 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)ncn1 ZINC000301302638 563400052 /nfs/dbraw/zinc/40/00/52/563400052.db2.gz WDARCICWZMXNKC-GJZGRUSLSA-N 0 0 383.279 2.890 10 0 GFAERN Cc1ccc([C@](C)(O)CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)o1 ZINC000301409898 563403154 /nfs/dbraw/zinc/40/31/54/563403154.db2.gz JMKOANPULISHFT-CQSZACIVSA-N 0 0 378.372 2.574 10 0 GFAERN Cc1ccc(C)c(S(=O)(=O)NCCNc2c(F)c(F)nc(F)c2F)c1 ZINC000301583222 563408163 /nfs/dbraw/zinc/40/81/63/563408163.db2.gz AFZDJGUERQMKNJ-UHFFFAOYSA-N 0 0 377.363 2.645 10 0 GFAERN CCS(=O)(=O)N1CC(CNc2ccc3cccc(Br)c3n2)C1 ZINC000302517841 563426278 /nfs/dbraw/zinc/42/62/78/563426278.db2.gz AVAHEQLPBQPDKE-UHFFFAOYSA-N 0 0 384.299 2.691 10 0 GFAERN CC(=O)N(Cc1cncnc1)[C@H]1CCCN(Cc2cnc(Cl)s2)CC1 ZINC000328625388 563461771 /nfs/dbraw/zinc/46/17/71/563461771.db2.gz DCUYCWVJYVVGLH-HNNXBMFYSA-N 0 0 379.917 2.990 10 0 GFAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cc(Br)sc1Br ZINC000392933948 563528022 /nfs/dbraw/zinc/52/80/22/563528022.db2.gz QLRXUKFITDKKQC-IYSWYEEDSA-N 0 0 396.104 2.670 10 0 GFAERN CCO[C@@]1(C(=O)Nc2ccc(C)c(I)c2)CCOC1 ZINC000401559270 563535178 /nfs/dbraw/zinc/53/51/78/563535178.db2.gz VUZHFZVWPZERER-AWEZNQCLSA-N 0 0 375.206 2.734 10 0 GFAERN CS(=O)(=O)c1cc(NC(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)ccc1Cl ZINC000574046531 564666293 /nfs/dbraw/zinc/66/62/93/564666293.db2.gz MGSIMWLIRUUYTA-OCCSQVGLSA-N 0 0 384.885 2.776 10 0 GFAERN CCO[C@]1(C(=O)Nc2cc(C)cc(I)c2)CCOC1 ZINC000591722834 565237819 /nfs/dbraw/zinc/23/78/19/565237819.db2.gz VOVWWRBTIQXAGS-CQSZACIVSA-N 0 0 375.206 2.734 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(F)c1I ZINC000610999653 566108930 /nfs/dbraw/zinc/10/89/30/566108930.db2.gz IXIGZFAAISUBKC-NSHDSACASA-N 0 0 391.180 2.598 10 0 GFAERN CC[C@H]1CN(CCNC(=O)c2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000012024869 570598756 /nfs/dbraw/zinc/59/87/56/570598756.db2.gz IQXISJOAPJQDGM-KRWDZBQOSA-N 0 0 398.459 2.827 10 0 GFAERN COc1cccc(CNC(=O)[C@H]2c3ccccc3CC(=O)N2C(C)C)c1OC ZINC000065169815 570719742 /nfs/dbraw/zinc/71/97/42/570719742.db2.gz WISWPDIQILOIKY-HXUWFJFHSA-N 0 0 382.460 2.854 10 0 GFAERN COc1cccc(CNC(=O)[C@@H]2c3ccccc3CC(=O)N2C(C)C)c1OC ZINC000065169813 570720004 /nfs/dbraw/zinc/72/00/04/570720004.db2.gz WISWPDIQILOIKY-FQEVSTJZSA-N 0 0 382.460 2.854 10 0 GFAERN CCOc1cc(=O)c(C(=O)N2CCCCCC2)nn1-c1ccc(F)c(F)c1 ZINC000065198341 570843839 /nfs/dbraw/zinc/84/38/39/570843839.db2.gz XAQPQHKJWIBTHL-UHFFFAOYSA-N 0 0 377.391 2.926 10 0 GFAERN Cc1c(Cl)nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2c1=O ZINC000725244308 571025512 /nfs/dbraw/zinc/02/55/12/571025512.db2.gz HMAUVIDKMKKACT-UHFFFAOYSA-N 0 0 378.860 2.713 10 0 GFAERN C[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000017851867 654522129 /nfs/dbraw/zinc/52/21/29/654522129.db2.gz VHOGQWQTDVQYDN-NEPJUHHUSA-N 0 0 382.869 2.632 10 0 GFAERN C[C@H](NC(=O)c1csc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000037498789 654615347 /nfs/dbraw/zinc/61/53/47/654615347.db2.gz JPBBILLIWNXHQD-QMMMGPOBSA-N 0 0 389.296 2.649 10 0 GFAERN CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2c(C)nn(C)c2Cl)C12CCCC2 ZINC000122501117 654738766 /nfs/dbraw/zinc/73/87/66/654738766.db2.gz ZUZYBAMMOQCSBA-STQMWFEESA-N 0 0 375.922 2.740 10 0 GFAERN O=c1c(Br)nn(CN2CCO[C@@H]3CCCC[C@@H]32)c2ccccc12 ZINC000123792244 654763778 /nfs/dbraw/zinc/76/37/78/654763778.db2.gz NCWHUNPLDRQYBI-LSDHHAIUSA-N 0 0 378.270 2.760 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124261624 654772934 /nfs/dbraw/zinc/77/29/34/654772934.db2.gz QPFCMGYXJYWDJM-LLVKDONJSA-N 0 0 396.285 2.779 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)Nc3cncc(Br)c3)CC2)s1 ZINC000126503621 654815039 /nfs/dbraw/zinc/81/50/39/654815039.db2.gz BLYWAYLLUVLRCA-UHFFFAOYSA-N 0 0 396.314 2.959 10 0 GFAERN Cc1noc([C@H](C)N2CCN(CCOc3ccccc3Br)CC2)n1 ZINC000126668139 654818505 /nfs/dbraw/zinc/81/85/05/654818505.db2.gz GAHUYECRRFYBBV-ZDUSSCGKSA-N 0 0 395.301 2.898 10 0 GFAERN O=C(CSc1nncs1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000131319291 654901852 /nfs/dbraw/zinc/90/18/52/654901852.db2.gz RIOFQPVUPJRXIO-NEPJUHHUSA-N 0 0 389.424 2.984 10 0 GFAERN CC(C)[C@H](NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(N)=O ZINC000066580041 654907471 /nfs/dbraw/zinc/90/74/71/654907471.db2.gz WDNILISFFNRHBW-INIZCTEOSA-N 0 0 382.869 2.921 10 0 GFAERN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(N)=O)c1ccc(Br)cc1 ZINC000068776014 654967671 /nfs/dbraw/zinc/96/76/71/654967671.db2.gz SHTWTCBBIXZPPZ-MLGOLLRUSA-N 0 0 390.281 2.906 10 0 GFAERN COc1cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)sc1Br ZINC000135024184 655007686 /nfs/dbraw/zinc/00/76/86/655007686.db2.gz CEWQIZJYMIDQHY-SNVBAGLBSA-N 0 0 397.298 2.708 10 0 GFAERN COc1ccc(Br)c(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000135377283 655014921 /nfs/dbraw/zinc/01/49/21/655014921.db2.gz ZSPQIHBFUDKBAN-JTQLQIEISA-N 0 0 379.258 2.877 10 0 GFAERN CC(C)[C@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000135801428 655024498 /nfs/dbraw/zinc/02/44/98/655024498.db2.gz FFCWQXXEBDETEI-JTQLQIEISA-N 0 0 389.315 2.664 10 0 GFAERN C[C@@H](O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000136281655 655029276 /nfs/dbraw/zinc/02/92/76/655029276.db2.gz JWLOTJCBQOEXNA-YPMHNXCESA-N 0 0 385.291 2.966 10 0 GFAERN C[C@@H]1CN(C(=O)Nc2cc(F)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000136446606 655031678 /nfs/dbraw/zinc/03/16/78/655031678.db2.gz GRQLYMFOSSZBOW-ABAIWWIYSA-N 0 0 386.265 2.773 10 0 GFAERN CCCn1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)cn1 ZINC000153215597 655065491 /nfs/dbraw/zinc/06/54/91/655065491.db2.gz NGQMQXRLUOPOQS-NSHDSACASA-N 0 0 379.258 2.872 10 0 GFAERN C[C@@H]1CC[C@@H](C(=O)OC[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)O1 ZINC000155204702 655082184 /nfs/dbraw/zinc/08/21/84/655082184.db2.gz ZOZYBQFQEREEPA-JMSVASOKSA-N 0 0 382.254 2.913 10 0 GFAERN Cc1ccc(OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(Br)n1 ZINC000155414453 655084225 /nfs/dbraw/zinc/08/42/25/655084225.db2.gz MHLFGZZQQLSGBM-SNVBAGLBSA-N 0 0 389.205 2.743 10 0 GFAERN CC(C)[C@H](CNc1ccccc1S(=O)(=O)C(F)(F)F)N1CCOCC1 ZINC000105948048 655099598 /nfs/dbraw/zinc/09/95/98/655099598.db2.gz HCTSRTBRNRRLDI-AWEZNQCLSA-N 0 0 380.432 2.749 10 0 GFAERN COCCN1CCN(Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1C ZINC000106109268 655103059 /nfs/dbraw/zinc/10/30/59/655103059.db2.gz FPISEEYKWZPTAQ-ZDUSSCGKSA-N 0 0 395.301 2.652 10 0 GFAERN CCOCCN1CCN(CC(=O)Nc2ccc(Br)cc2C)C[C@@H]1C ZINC000106112657 655103215 /nfs/dbraw/zinc/10/32/15/655103215.db2.gz JQZCRFOSPNQKFI-HNNXBMFYSA-N 0 0 398.345 2.739 10 0 GFAERN C[C@@H](C(=O)Nc1nccs1)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161177 655104089 /nfs/dbraw/zinc/10/40/89/655104089.db2.gz DRJWFTUJVNRRRX-KBPBESRZSA-N 0 0 380.539 2.537 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000106394649 655107731 /nfs/dbraw/zinc/10/77/31/655107731.db2.gz OREZBJQCXJHJBK-GFCCVEGCSA-N 0 0 375.694 2.631 10 0 GFAERN CN(c1cccnn1)C1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000109640057 655149651 /nfs/dbraw/zinc/14/96/51/655149651.db2.gz DWSCWKPHYXADNO-UHFFFAOYSA-N 0 0 391.269 2.686 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)CSCc3ccncc3)CC2)cs1 ZINC000109650952 655149912 /nfs/dbraw/zinc/14/99/12/655149912.db2.gz BNWVMCOWUKVFDE-UHFFFAOYSA-N 0 0 376.551 2.814 10 0 GFAERN CSc1nc(C)c(CCC(=O)N2CCO[C@H](c3nccs3)C2)c(C)n1 ZINC000110876480 655160926 /nfs/dbraw/zinc/16/09/26/655160926.db2.gz FCEGKBGEJBWIAD-AWEZNQCLSA-N 0 0 378.523 2.805 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(F)cc(Br)c3)CCO2)n1 ZINC000110897829 655161385 /nfs/dbraw/zinc/16/13/85/655161385.db2.gz NUQGCIXCRQRRSP-MRXNPFEDSA-N 0 0 396.260 2.943 10 0 GFAERN CCn1c(=S)n(CN2CC[C@H](N3CCOCC3)C2)nc1-c1cccs1 ZINC000172961127 655161554 /nfs/dbraw/zinc/16/15/54/655161554.db2.gz DYKQVABMKOMHRX-AWEZNQCLSA-N 0 0 379.555 2.526 10 0 GFAERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111077629 655163989 /nfs/dbraw/zinc/16/39/89/655163989.db2.gz NNFSCDLUSLXMSZ-STQMWFEESA-N 0 0 384.263 2.885 10 0 GFAERN CCn1c(=S)n(CN2CCN(Cc3cnc(C)s3)CC2)nc1C1CC1 ZINC000111164891 655165853 /nfs/dbraw/zinc/16/58/53/655165853.db2.gz VKKOYLSAOKUELD-UHFFFAOYSA-N 0 0 378.571 2.852 10 0 GFAERN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000111344073 655169356 /nfs/dbraw/zinc/16/93/56/655169356.db2.gz FRBFJDGGCPYOLY-GFCCVEGCSA-N 0 0 394.396 2.804 10 0 GFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(Br)c2)ncn1 ZINC000173407876 655170464 /nfs/dbraw/zinc/17/04/64/655170464.db2.gz YVBYHGLRXWHKBU-CQSZACIVSA-N 0 0 390.285 2.680 10 0 GFAERN Cc1csc([C@H]2CCCN(C(=O)CCNC(=O)OCC(F)(F)F)C2)n1 ZINC000173405458 655170478 /nfs/dbraw/zinc/17/04/78/655170478.db2.gz NCHMRIHGNOFELA-NSHDSACASA-N 0 0 379.404 2.836 10 0 GFAERN C[C@@H](OC(=O)c1sccc1S(=O)(=O)N(C)C)c1nc2ccccc2[nH]1 ZINC000111949341 655179767 /nfs/dbraw/zinc/17/97/67/655179767.db2.gz AJQWAGCWOCJNLS-SNVBAGLBSA-N 0 0 379.463 2.793 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(Br)ccc3F)CCO2)c1 ZINC000112066367 655181546 /nfs/dbraw/zinc/18/15/46/655181546.db2.gz NMQNJQZJNNQHCA-CYBMUJFWSA-N 0 0 382.233 2.634 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)CCO2)c1 ZINC000112065116 655181620 /nfs/dbraw/zinc/18/16/20/655181620.db2.gz MBTDMCKXWVZUOW-AWEZNQCLSA-N 0 0 396.260 2.563 10 0 GFAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CCO2)c1 ZINC000112093733 655182042 /nfs/dbraw/zinc/18/20/42/655182042.db2.gz PITJKASUTAPNDC-CQSZACIVSA-N 0 0 390.292 2.588 10 0 GFAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3Cl)CCO2)c1 ZINC000112093626 655182105 /nfs/dbraw/zinc/18/21/05/655182105.db2.gz KFXHGXPAOBWBQP-LBPRGKRZSA-N 0 0 390.292 2.588 10 0 GFAERN O=C(NCCCOc1ccc(Cl)cc1Cl)N[C@@H]1CCc2ncnn2C1 ZINC000112746746 655197128 /nfs/dbraw/zinc/19/71/28/655197128.db2.gz LZOIBJIBRMVCMM-GFCCVEGCSA-N 0 0 384.267 2.668 10 0 GFAERN Cc1c(C(=O)O[C@H](C)[C@H]2CCOC2)nnn1-c1cccc(Br)c1 ZINC000175251021 655216590 /nfs/dbraw/zinc/21/65/90/655216590.db2.gz AFPOWGDKLBRWNU-NEPJUHHUSA-N 0 0 380.242 2.920 10 0 GFAERN C[C@H](OC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@@H]1CCOC1 ZINC000175289130 655218101 /nfs/dbraw/zinc/21/81/01/655218101.db2.gz FDSYCLNAIZNLKN-VHSXEESVSA-N 0 0 376.272 2.551 10 0 GFAERN Brc1ccccc1-n1nnnc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483365 655224867 /nfs/dbraw/zinc/22/48/67/655224867.db2.gz RJGFMRSKWZEPRU-CQSZACIVSA-N 0 0 388.273 2.875 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(Br)c(F)c1 ZINC000175729809 655226377 /nfs/dbraw/zinc/22/63/77/655226377.db2.gz LIEVUKFRJYLDEG-CYBMUJFWSA-N 0 0 382.237 2.822 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccccc1Br)CC2 ZINC000114978338 655231257 /nfs/dbraw/zinc/23/12/57/655231257.db2.gz NXYPMCWESSMOKH-ZDUSSCGKSA-N 0 0 392.301 2.759 10 0 GFAERN O=C(c1nc2ncc(Br)cn2n1)N1CCCC[C@H]1c1nccs1 ZINC000115365347 655236076 /nfs/dbraw/zinc/23/60/76/655236076.db2.gz HMEBQLDFCHSEOM-JTQLQIEISA-N 0 0 393.270 2.711 10 0 GFAERN CC(C)c1nc2c(n1C)CCN(C(=O)c1cc(I)c[nH]1)C2 ZINC000115382654 655236638 /nfs/dbraw/zinc/23/66/38/655236638.db2.gz YWOIKHIGURFKLO-UHFFFAOYSA-N 0 0 398.248 2.675 10 0 GFAERN O=C(CCc1ccc(Br)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000176442055 655245464 /nfs/dbraw/zinc/24/54/64/655245464.db2.gz CTDUWSWTLSUUEY-OAHLLOKOSA-N 0 0 377.286 2.912 10 0 GFAERN Cc1noc(Cl)c1CC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000176606027 655251061 /nfs/dbraw/zinc/25/10/61/655251061.db2.gz PPISRMJSQKJYPH-RISCZKNCSA-N 0 0 383.901 2.819 10 0 GFAERN COCC[S@@](=O)Cc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000116711512 655251768 /nfs/dbraw/zinc/25/17/68/655251768.db2.gz XHBJKIUWZFRJLM-MURVUTHMSA-N 0 0 379.503 2.994 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3Cl)C2)n1 ZINC000116900036 655256168 /nfs/dbraw/zinc/25/61/68/655256168.db2.gz ZFIMDKURKDNQTM-CYBMUJFWSA-N 0 0 386.880 2.788 10 0 GFAERN COCCN1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@H]1C ZINC000117292135 655263243 /nfs/dbraw/zinc/26/32/43/655263243.db2.gz GRETVQBRFJJZKW-LLVKDONJSA-N 0 0 375.694 2.895 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(Cl)c(Cl)cc3OC)CCO2)[nH]1 ZINC000176947692 655263245 /nfs/dbraw/zinc/26/32/45/655263245.db2.gz FRFVCDQJISLYSC-ZDUSSCGKSA-N 0 0 385.251 2.896 10 0 GFAERN COCCN1CCN(C(=O)c2cc3cc(Br)ccc3o2)C[C@H]1C ZINC000117296149 655263693 /nfs/dbraw/zinc/26/36/93/655263693.db2.gz BOKLHWVRWNCNBJ-GFCCVEGCSA-N 0 0 381.270 2.988 10 0 GFAERN O=C(N[C@H]1CCCn2ncnc21)N1CCc2cccc(Br)c2C1 ZINC000177378772 655274600 /nfs/dbraw/zinc/27/46/00/655274600.db2.gz VFSGUHRDHCKVFD-AWEZNQCLSA-N 0 0 376.258 2.643 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000177590790 655282877 /nfs/dbraw/zinc/28/28/77/655282877.db2.gz FPBPXGJXYKNUHZ-QMMMGPOBSA-N 0 0 384.317 2.861 10 0 GFAERN Cc1c(NC(=O)C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cnn1C ZINC000177765532 655287972 /nfs/dbraw/zinc/28/79/72/655287972.db2.gz MAGOJBBTEMLACI-GXFFZTMASA-N 0 0 381.263 2.894 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](C)C2 ZINC000181243623 655333916 /nfs/dbraw/zinc/33/39/16/655333916.db2.gz BZZJBFYBDGKJRT-APPDUMDISA-N 0 0 378.881 2.959 10 0 GFAERN COC(=O)C[C@H](NC(=O)NC[C@]1(C)CCCO1)c1cccc(Br)c1 ZINC000120495035 655337235 /nfs/dbraw/zinc/33/72/35/655337235.db2.gz OTCYXGYIZNATKA-YOEHRIQHSA-N 0 0 399.285 2.922 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2cnc(Br)c(C)c2)C[C@H]1C ZINC000182440920 655344184 /nfs/dbraw/zinc/34/41/84/655344184.db2.gz GQYWPHUSBGKHHQ-CYBMUJFWSA-N 0 0 385.306 2.727 10 0 GFAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CCc2c(Br)ccc(F)c2C1 ZINC000184829460 655359685 /nfs/dbraw/zinc/35/96/85/655359685.db2.gz RDYVMVWVRHKSJR-BETUJISGSA-N 0 0 393.256 2.855 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)NOCc3ccc(F)cc3Br)C2)cn1 ZINC000188534611 655380509 /nfs/dbraw/zinc/38/05/09/655380509.db2.gz KICZOHLYFHPKTD-NSHDSACASA-N 0 0 397.248 2.952 10 0 GFAERN Cc1c(Cl)cccc1NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000193132401 655408556 /nfs/dbraw/zinc/40/85/56/655408556.db2.gz YHIFJGRRIKNURO-LLVKDONJSA-N 0 0 377.853 2.714 10 0 GFAERN CCc1nnc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)n1C ZINC000194644693 655416751 /nfs/dbraw/zinc/41/67/51/655416751.db2.gz DVEXYBXUSSJFOQ-UHFFFAOYSA-N 0 0 384.296 2.949 10 0 GFAERN COCCNc1nn(CN2CCO[C@H](c3nc(C)cs3)C2)c(=S)s1 ZINC000195295132 655419898 /nfs/dbraw/zinc/41/98/98/655419898.db2.gz GNPXGRUZEUCVPF-NSHDSACASA-N 0 0 387.556 2.528 10 0 GFAERN O=C(O[C@@H]1CCO[C@@]2(CCOC2)C1)[C@@H]1COc2ccc(Br)cc21 ZINC000248427425 655432539 /nfs/dbraw/zinc/43/25/39/655432539.db2.gz PGANAACXPQFEOC-MRRJBJDNSA-N 0 0 383.238 2.806 10 0 GFAERN Cn1cc([C@@H]2CCN(S(=O)(=O)/C=C\c3cccc(Br)c3)C2)cn1 ZINC000255436908 655439005 /nfs/dbraw/zinc/43/90/05/655439005.db2.gz QWASKBHFPJMHQV-IQCBXXCUSA-N 0 0 396.310 2.973 10 0 GFAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000255908228 655440874 /nfs/dbraw/zinc/44/08/74/655440874.db2.gz OAPYNBPUCWHIAC-GDAGCXPBSA-N 0 0 388.283 2.777 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cc(C(C)C)ccc2Cl)C1 ZINC000263471464 655452038 /nfs/dbraw/zinc/45/20/38/655452038.db2.gz HXQMLYZSSGMGCH-UHFFFAOYSA-N 0 0 388.917 2.679 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(Cc2ccc(OC)c(Br)c2)CC1 ZINC000263528660 655452479 /nfs/dbraw/zinc/45/24/79/655452479.db2.gz VIWWWTKFXFHXLS-UHFFFAOYSA-N 0 0 385.302 2.829 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(c2ncc(Cl)cc2Br)CC1 ZINC000263563544 655452584 /nfs/dbraw/zinc/45/25/84/655452584.db2.gz UGPVIJLPMPKKPF-NSHDSACASA-N 0 0 376.682 2.873 10 0 GFAERN CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)/C=C\c2ccccc2Cl)cn1 ZINC000886048339 663102733 /nfs/dbraw/zinc/10/27/33/663102733.db2.gz MATALEMHTGGVCE-WHDWIBAWSA-N 0 0 381.885 2.977 10 0 GFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3nc(Br)c[nH]3)C[C@H]12 ZINC000893568303 663416010 /nfs/dbraw/zinc/41/60/10/663416010.db2.gz UBXBQNGZEULSIK-GRYCIOLGSA-N 0 0 385.306 2.907 10 0 GFAERN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CCC[C@@H]1C(F)(F)F ZINC000913022753 664317290 /nfs/dbraw/zinc/31/72/90/664317290.db2.gz UADWACJMZYCOMN-BRADTZPFSA-N 0 0 376.400 2.520 10 0 GFAERN Cc1ccc(NC(=O)c2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000006286111 209126388 /nfs/dbraw/zinc/12/63/88/209126388.db2.gz XPQHYZCAVQZOCV-UHFFFAOYSA-N 0 0 394.880 2.922 10 0 GFAERN C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]2(O)CCCO ZINC000077293668 209112481 /nfs/dbraw/zinc/11/24/81/209112481.db2.gz BJGLEUDFODCURD-HOPUHREQSA-N 0 0 388.548 2.929 10 0 in-vitro GFAERN [NH3+][C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000003784587 206292825 /nfs/dbraw/zinc/29/28/25/206292825.db2.gz LHFGKSNSZPZEPC-MRVPVSSYSA-N 0 0 399.344 2.730 10 0 GFAERN COc1ccccc1OCCN1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000019360855 206296688 /nfs/dbraw/zinc/29/66/88/206296688.db2.gz UPNJDOLJQRGRCS-GOSISDBHSA-N 0 0 384.476 2.532 10 0 GFAERN COCCNC(=O)CN1c2ccc(Cl)cc2C(c2ccccc2)=N[C@@H](C)C1=O ZINC000003055718 206455645 /nfs/dbraw/zinc/45/56/45/206455645.db2.gz JLQBAEJCTSWKNE-AWEZNQCLSA-N 0 0 399.878 2.675 10 0 GFAERN Cc1ccc(NC(=O)CN2c3ccccc3S(=O)(=O)[C@@H](C)CC2=O)c(C)c1 ZINC000006806560 206680095 /nfs/dbraw/zinc/68/00/95/206680095.db2.gz ADABAOMBZVSQSK-HNNXBMFYSA-N 0 0 386.473 2.841 10 0 GFAERN CC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)cc1 ZINC000012202536 206870570 /nfs/dbraw/zinc/87/05/70/206870570.db2.gz KWUGTNHQMPFJLA-UHFFFAOYSA-N 0 0 386.429 2.734 10 0 GFAERN Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1cccc(I)c1 ZINC000012446930 206899274 /nfs/dbraw/zinc/89/92/74/206899274.db2.gz LCHZZRAOQUNWQK-GHXNOFRVSA-N 0 0 379.153 2.956 10 0 GFAERN Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c(C)o1 ZINC000012719029 206928880 /nfs/dbraw/zinc/92/88/80/206928880.db2.gz PZJCZUGCEIHEBN-KRWDZBQOSA-N 0 0 384.480 2.967 10 0 GFAERN C[C@@H](CCn1cccn1)NC(=O)c1coc(CN2CCc3ccccc3C2)n1 ZINC000019772122 207160933 /nfs/dbraw/zinc/16/09/33/207160933.db2.gz PKSIWPIKDQUIHX-INIZCTEOSA-N 0 0 379.464 2.638 10 0 GFAERN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N3CCC(C)CC3)C2)c(C)c1 ZINC000020533116 207201215 /nfs/dbraw/zinc/20/12/15/207201215.db2.gz XGONYXIRZMTZGB-SFHVURJKSA-N 0 0 393.553 2.931 10 0 GFAERN Fc1ccc(-n2cc(CN(CCN3CCOCC3)Cc3cccnc3)cn2)cc1 ZINC000022931456 207265008 /nfs/dbraw/zinc/26/50/08/207265008.db2.gz UFLYLEUFMYCOJK-UHFFFAOYSA-N 0 0 395.482 2.741 10 0 GFAERN CNC(=O)c1ccc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 ZINC000026678343 207317340 /nfs/dbraw/zinc/31/73/40/207317340.db2.gz FSXPNTDYESLCDL-QGZVFWFLSA-N 0 0 389.402 2.718 10 0 GFAERN CC=C1CN(C(C)=O)[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000033985667 207465529 /nfs/dbraw/zinc/46/55/29/207465529.db2.gz WNNXIBDIKZAZSX-BZGHKCBGSA-N 0 0 380.444 2.879 10 0 GFAERN CCc1ccc(CN2C[C@H](NC(=O)c3ccc(F)cc3)C[C@H]2C(=O)OC)cc1 ZINC000055042614 207730983 /nfs/dbraw/zinc/73/09/83/207730983.db2.gz IUDRIHGIZWNBKR-UXHICEINSA-N 0 0 384.451 2.934 10 0 GFAERN O=C(OCc1ccccc1)N1CCC(Cn2c(CO)nc3cccnc32)CC1 ZINC000095078434 208152971 /nfs/dbraw/zinc/15/29/71/208152971.db2.gz CHUHWIOBGDNJHU-UHFFFAOYSA-N 0 0 380.448 2.972 10 0 GFAERN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000095087019 208156130 /nfs/dbraw/zinc/15/61/30/208156130.db2.gz ZXINAGYDBMUHRB-UHFFFAOYSA-N 0 0 392.880 2.862 10 0 GFAERN CCCc1nnc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)s1 ZINC000095525264 208222432 /nfs/dbraw/zinc/22/24/32/208222432.db2.gz KSWHJGFKOMNGEY-UHFFFAOYSA-N 0 0 386.525 2.504 10 0 GFAERN COCCn1c(C[C@@H]2CCN(C(=O)c3cccc(OC)c3)C2)nc2cccnc21 ZINC000096125025 208267175 /nfs/dbraw/zinc/26/71/75/208267175.db2.gz RYGMQZHKAMQWSU-INIZCTEOSA-N 0 0 394.475 2.791 10 0 GFAERN O=C(NCCc1ccccc1)[C@@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000096398469 208314334 /nfs/dbraw/zinc/31/43/34/208314334.db2.gz JSZCCTFVYLFHHR-QGZVFWFLSA-N 0 0 398.528 2.684 10 0 GFAERN O=C1Nc2ccccc2[C@H]1c1c(-c2ccccc2Cl)[nH]c2[nH]c(=O)[nH]c(=O)c21 ZINC000101321386 208389778 /nfs/dbraw/zinc/38/97/78/208389778.db2.gz XCTURYKCQYTSET-ZDUSSCGKSA-N 0 0 392.802 2.949 10 0 GFAERN CCn1cc(Cl)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 ZINC000028222841 208937323 /nfs/dbraw/zinc/93/73/23/208937323.db2.gz LJOLSPGOZZPUQU-UHFFFAOYSA-N 0 0 384.870 2.822 10 0 GFAERN C[C@H](C(=O)c1ccc2c(c1)oc(=O)n2C)N1CCN(c2ccc(F)cc2)CC1 ZINC000095832496 136182517 /nfs/dbraw/zinc/18/25/17/136182517.db2.gz XURYNEOLLZZKGY-CQSZACIVSA-N 0 0 383.423 2.664 10 0 GFAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000224358285 136206868 /nfs/dbraw/zinc/20/68/68/136206868.db2.gz FTYDYXYKTTWSCL-UHFFFAOYSA-N 0 0 383.496 2.929 10 0 GFAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000224359279 136206889 /nfs/dbraw/zinc/20/68/89/136206889.db2.gz NOQYQHBZJYBEHB-UHFFFAOYSA-N 0 0 395.385 2.650 10 0 GFAERN Ic1cc(OC2CC2)cnc1I ZINC000095734666 222359898 /nfs/dbraw/zinc/35/98/98/222359898.db2.gz LJJJZMQCPLWALF-UHFFFAOYSA-N 0 0 386.958 2.832 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Cl)c2ncccc12 ZINC000177004189 527188058 /nfs/dbraw/zinc/18/80/58/527188058.db2.gz NAJWWGNXYXITQJ-ZDUSSCGKSA-N 0 0 377.857 2.602 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(S(C)(=O)=O)cc1 ZINC000015358999 551111180 /nfs/dbraw/zinc/11/11/80/551111180.db2.gz WJCBXDYAPTWREL-VIFPVBQESA-N 0 0 393.408 2.547 10 0 GFAERN C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C[C@H](C)O1 ZINC000027339509 551122433 /nfs/dbraw/zinc/12/24/33/551122433.db2.gz UIJTWPNMQYDPBD-RYUDHWBXSA-N 0 0 388.917 2.666 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1Cl)N1CCN2CCCC[C@@H]2C1 ZINC000040436483 551134294 /nfs/dbraw/zinc/13/42/94/551134294.db2.gz LHAJINBFFQZCPG-GFCCVEGCSA-N 0 0 393.734 2.961 10 0 GFAERN C[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)c1cccs1 ZINC000043998032 551143101 /nfs/dbraw/zinc/14/31/01/551143101.db2.gz LXQDAMQAIKRVCB-HZUKXOBISA-N 0 0 378.494 2.907 10 0 GFAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(Br)cn1 ZINC000046127036 551148901 /nfs/dbraw/zinc/14/89/01/551148901.db2.gz NRTYISNBEKRLLJ-NWDGAFQWSA-N 0 0 397.294 2.884 10 0 GFAERN C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(F)c(Cl)c1 ZINC000056941956 551178850 /nfs/dbraw/zinc/17/88/50/551178850.db2.gz DRIORFJMZIJQED-MRVPVSSYSA-N 0 0 391.877 2.748 10 0 GFAERN O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1COc2ccccc21 ZINC000060731438 551183981 /nfs/dbraw/zinc/18/39/81/551183981.db2.gz OJUAZPRZUFBCSG-CYBMUJFWSA-N 0 0 379.185 2.777 10 0 GFAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)o1 ZINC000115867837 551209904 /nfs/dbraw/zinc/20/99/04/551209904.db2.gz SNVZQFGGDXHEKX-JPQMIFPKSA-N 0 0 382.869 2.936 10 0 GFAERN CS(=O)(=O)Cc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000116327754 551211891 /nfs/dbraw/zinc/21/18/91/551211891.db2.gz CEXKZPFHPHISAI-SFHVURJKSA-N 0 0 379.503 2.587 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c(Br)c1 ZINC000119488150 551216691 /nfs/dbraw/zinc/21/66/91/551216691.db2.gz ZPCQSRYGUQOMBR-UHFFFAOYSA-N 0 0 391.269 2.825 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1c(F)cccc1I ZINC000119679158 551218498 /nfs/dbraw/zinc/21/84/98/551218498.db2.gz QPYNKDGQHMTDEU-NSHDSACASA-N 0 0 391.180 2.598 10 0 GFAERN O=C(CNC(=O)c1sc2ccccc2c1Cl)NC[C@@H]1CCCC[C@@H]1O ZINC000121106374 551227092 /nfs/dbraw/zinc/22/70/92/551227092.db2.gz AGHHNQDOULOWAX-AAEUAGOBSA-N 0 0 380.897 2.952 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)COc2ccccc2Br)C1 ZINC000121217477 551229606 /nfs/dbraw/zinc/22/96/06/551229606.db2.gz UPEBONALYSOUHD-CYBMUJFWSA-N 0 0 383.286 2.735 10 0 GFAERN O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000121928357 551292467 /nfs/dbraw/zinc/29/24/67/551292467.db2.gz NPJUYTVPKARKTK-SNVBAGLBSA-N 0 0 390.228 2.666 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3cncc(Br)c3)CCO2)n1 ZINC000126303635 551328149 /nfs/dbraw/zinc/32/81/49/551328149.db2.gz VAFLPCNPLYKLIU-OAHLLOKOSA-N 0 0 394.273 2.590 10 0 GFAERN Cc1ccc(Br)c(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000128324361 551349133 /nfs/dbraw/zinc/34/91/33/551349133.db2.gz GFBRLWUOSFAWGN-NSHDSACASA-N 0 0 399.314 2.725 10 0 GFAERN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000129392979 551356917 /nfs/dbraw/zinc/35/69/17/551356917.db2.gz UKLWYSKGTURIGD-CHWSQXEVSA-N 0 0 387.293 2.604 10 0 GFAERN COCCn1nc(C(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)ccc1=O ZINC000131153566 551372929 /nfs/dbraw/zinc/37/29/29/551372929.db2.gz LVDPWTKWUIUIMB-SECBINFHSA-N 0 0 388.226 2.827 10 0 GFAERN CCn1cnnc1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000131475394 551374405 /nfs/dbraw/zinc/37/44/05/551374405.db2.gz NGYAZOYIIRUSSP-UHFFFAOYSA-N 0 0 379.258 2.786 10 0 GFAERN Cc1c(Br)cccc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000131804533 551375793 /nfs/dbraw/zinc/37/57/93/551375793.db2.gz WNTWFKRSYUAZGP-UHFFFAOYSA-N 0 0 387.285 2.517 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccccc1Br ZINC000134848940 551386238 /nfs/dbraw/zinc/38/62/38/551386238.db2.gz YWXXRNFKSSTFJL-LBPRGKRZSA-N 0 0 379.258 2.633 10 0 GFAERN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000135859765 551389234 /nfs/dbraw/zinc/38/92/34/551389234.db2.gz NIGCIBWJOMGSMO-RISCZKNCSA-N 0 0 399.285 2.859 10 0 GFAERN O=C(Cc1cccc(I)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151446206 551413691 /nfs/dbraw/zinc/41/36/91/551413691.db2.gz VAGKIIIUQTXQSV-YOEHRIQHSA-N 0 0 399.272 2.987 10 0 GFAERN COc1cc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)sc1S(N)(=O)=O ZINC000151493846 551414936 /nfs/dbraw/zinc/41/49/36/551414936.db2.gz FDOAIXBMVISLFO-ZETCQYMHSA-N 0 0 392.861 2.688 10 0 GFAERN Cc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccccc3Br)CC2)n1 ZINC000152946482 551443369 /nfs/dbraw/zinc/44/33/69/551443369.db2.gz RFUWUWBKNSOGMU-MLGOLLRUSA-N 0 0 395.301 2.553 10 0 GFAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(c4cc[nH]n4)CC3)cc(Cl)c2O1 ZINC000153230224 551448827 /nfs/dbraw/zinc/44/88/27/551448827.db2.gz CHYAYZDBPOQANB-LLVKDONJSA-N 0 0 381.885 2.955 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000155134095 551492229 /nfs/dbraw/zinc/49/22/29/551492229.db2.gz NKEKTFAETGTOFV-IUODEOHRSA-N 0 0 398.301 2.953 10 0 GFAERN CCC[C@@H](NC(=O)c1cc(I)c[nH]1)C(=O)OC(C)(C)C ZINC000155391120 551499027 /nfs/dbraw/zinc/49/90/27/551499027.db2.gz YDMMZVQUYPOMJR-SNVBAGLBSA-N 0 0 392.237 2.860 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCc1ccccc1Br ZINC000155383940 551499056 /nfs/dbraw/zinc/49/90/56/551499056.db2.gz QKZPGWIWLBQBJC-CQSZACIVSA-N 0 0 393.285 2.771 10 0 GFAERN Cc1cc(Br)cc2cc(C(=O)N[C@H]3CCc4ncnn4C3)oc21 ZINC000156781628 551527885 /nfs/dbraw/zinc/52/78/85/551527885.db2.gz SEQCUVYOLVJUAK-LBPRGKRZSA-N 0 0 375.226 2.840 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C)cc1Br ZINC000157084660 551533352 /nfs/dbraw/zinc/53/33/52/551533352.db2.gz CVXNVLHQEIGUNZ-GFCCVEGCSA-N 0 0 399.314 2.725 10 0 GFAERN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000159263881 551563015 /nfs/dbraw/zinc/56/30/15/551563015.db2.gz LRCYIAAKZZDMPF-SWLSCSKDSA-N 0 0 395.297 2.737 10 0 GFAERN Brc1ccc2[nH]c(CN3CCCN(c4cccnn4)CC3)nc2c1 ZINC000159305372 551563513 /nfs/dbraw/zinc/56/35/13/551563513.db2.gz CNAZIBHEYFUMBN-UHFFFAOYSA-N 0 0 387.285 2.828 10 0 GFAERN CCN(CC)C(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000162275952 551606161 /nfs/dbraw/zinc/60/61/61/551606161.db2.gz PNZWXPLVQOPLFP-UHFFFAOYSA-N 0 0 380.613 2.752 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C[C@H](C)O1 ZINC000164271886 551624676 /nfs/dbraw/zinc/62/46/76/551624676.db2.gz WTBQJEBTTOIGNI-UWVGGRQHSA-N 0 0 376.400 2.757 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3ccc(Br)nc3)CCO2)n1 ZINC000166381939 551631859 /nfs/dbraw/zinc/63/18/59/551631859.db2.gz HXPATUHNPFYADV-AWEZNQCLSA-N 0 0 394.273 2.590 10 0 GFAERN COC(=O)[C@@H]1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000171063197 551645744 /nfs/dbraw/zinc/64/57/44/551645744.db2.gz NYYFFBRVEHTIGX-GFCCVEGCSA-N 0 0 380.242 2.884 10 0 GFAERN CCn1cc(C2CCN(c3ncnc4c3c(Br)nn4C)CC2)cn1 ZINC000171131951 551647663 /nfs/dbraw/zinc/64/76/63/551647663.db2.gz PZEHFXKOGUKQPP-UHFFFAOYSA-N 0 0 390.289 2.726 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(F)cc2Br)cn1 ZINC000171400101 551654289 /nfs/dbraw/zinc/65/42/89/551654289.db2.gz WQTUNLJBJUFATH-CQSZACIVSA-N 0 0 395.232 2.624 10 0 GFAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCS1 ZINC000171571851 551658637 /nfs/dbraw/zinc/65/86/37/551658637.db2.gz KOVILEKLCCQEMI-VXGBXAGGSA-N 0 0 383.311 2.766 10 0 GFAERN O=S(=O)(CCN1CCC[C@H](n2cncn2)C1)c1cc(Cl)ccc1Cl ZINC000171703700 551661464 /nfs/dbraw/zinc/66/14/64/551661464.db2.gz RQFKZVPIFCMLPG-ZDUSSCGKSA-N 0 0 389.308 2.696 10 0 GFAERN COC(=O)[C@H](NC(=O)c1[nH]nc2ccc(Br)cc21)c1ccccc1 ZINC000171770182 551663205 /nfs/dbraw/zinc/66/32/05/551663205.db2.gz YYJLBHSODFCMEC-CQSZACIVSA-N 0 0 388.221 2.970 10 0 GFAERN O=C(CCSc1nc2ccccc2s1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172761290 551686278 /nfs/dbraw/zinc/68/62/78/551686278.db2.gz FVZAEHPSGWVGMX-CQSZACIVSA-N 0 0 377.535 2.712 10 0 GFAERN Cc1cc(Br)ccc1SCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172758288 551686621 /nfs/dbraw/zinc/68/66/21/551686621.db2.gz FSRFEGVCZAPSOK-HNNXBMFYSA-N 0 0 399.354 2.783 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3cc4c(cccc4Br)[nH]3)CCO2)[nH]1 ZINC000173086590 551695587 /nfs/dbraw/zinc/69/55/87/551695587.db2.gz BCAWAHCBKRCDTG-AWEZNQCLSA-N 0 0 390.241 2.571 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(Br)cc3Cl)CCO2)[nH]1 ZINC000173098415 551696115 /nfs/dbraw/zinc/69/61/15/551696115.db2.gz MWANAKMTTNSTLZ-LBPRGKRZSA-N 0 0 399.676 2.997 10 0 GFAERN C[C@H](C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)c1ccc(Br)s1 ZINC000173398205 552084887 /nfs/dbraw/zinc/08/48/87/552084887.db2.gz WYUKXIFKPQZHCX-AVGNSLFASA-N 0 0 387.343 2.793 10 0 GFAERN C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@H]1N1CCOCC1 ZINC000173818015 552092513 /nfs/dbraw/zinc/09/25/13/552092513.db2.gz BJCOIVUAPXBUQO-WMLDXEAASA-N 0 0 393.325 2.660 10 0 GFAERN Cc1nc(-c2cccs2)sc1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173826499 552093122 /nfs/dbraw/zinc/09/31/22/552093122.db2.gz FENLXOJJIILXMV-JSGCOSHPSA-N 0 0 377.535 2.973 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1sccc1Br ZINC000173841262 552093843 /nfs/dbraw/zinc/09/38/43/552093843.db2.gz USOVJCZULMFONT-NSHDSACASA-N 0 0 390.328 2.869 10 0 GFAERN COc1cc(Br)cc(C)c1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173876667 552095240 /nfs/dbraw/zinc/09/52/40/552095240.db2.gz CTARURVDGDKPED-CQSZACIVSA-N 0 0 398.301 2.705 10 0 GFAERN C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1cccc(-n2ccnc2)c1 ZINC000173953405 552095741 /nfs/dbraw/zinc/09/57/41/552095741.db2.gz CTOVSBUOZLOEHE-NSHDSACASA-N 0 0 387.237 2.814 10 0 GFAERN CCn1cnnc1C1CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000175207624 552117520 /nfs/dbraw/zinc/11/75/20/552117520.db2.gz POQWVNOLXJQISB-UHFFFAOYSA-N 0 0 392.301 2.879 10 0 GFAERN C[C@H](NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)c1cccc(Br)c1 ZINC000175663112 552126118 /nfs/dbraw/zinc/12/61/18/552126118.db2.gz DBXBQSWHNYOCEP-ZQIUZPCESA-N 0 0 396.329 2.872 10 0 GFAERN COc1ncc(C)cc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000175811283 552129595 /nfs/dbraw/zinc/12/95/95/552129595.db2.gz JDYXOUZYZGWSQB-NSHDSACASA-N 0 0 392.253 2.977 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1sccc1Br ZINC000176374288 552140123 /nfs/dbraw/zinc/14/01/23/552140123.db2.gz YQBDVHAQBUIBHX-JTQLQIEISA-N 0 0 384.303 2.999 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177363324 552154013 /nfs/dbraw/zinc/15/40/13/552154013.db2.gz GXNKRYLYMNQXOL-BXUZGUMPSA-N 0 0 378.274 2.806 10 0 GFAERN COc1ccc(Br)cc1CC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000177734891 552158234 /nfs/dbraw/zinc/15/82/34/552158234.db2.gz WASXJBIGESBTMW-CYBMUJFWSA-N 0 0 379.258 2.551 10 0 GFAERN C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(S(N)(=O)=O)s2)c2ccccc21 ZINC000179020710 552182456 /nfs/dbraw/zinc/18/24/56/552182456.db2.gz IIPGFTWXCJOIGE-IAQYHMDHSA-N 0 0 379.507 2.833 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)C1 ZINC000179540372 552196067 /nfs/dbraw/zinc/19/60/67/552196067.db2.gz GEQMOAOACNWTMF-CMPLNLGQSA-N 0 0 390.286 2.910 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)Cc2ccc(F)c(Br)c2)n1C ZINC000182376381 552281711 /nfs/dbraw/zinc/28/17/11/552281711.db2.gz LVVUZHVISFGXJO-UHFFFAOYSA-N 0 0 390.278 2.955 10 0 GFAERN CCn1ccnc1CS(=O)(=O)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000182378591 552281988 /nfs/dbraw/zinc/28/19/88/552281988.db2.gz XLPWWTJOXCOWFH-UHFFFAOYSA-N 0 0 384.885 2.875 10 0 GFAERN Brc1cc2c(cc1CN1CC[C@@H](N3CCOCC3)C1)OCCCO2 ZINC000182357278 552282205 /nfs/dbraw/zinc/28/22/05/552282205.db2.gz PZZMQOGCOQEPDL-OAHLLOKOSA-N 0 0 397.313 2.517 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3cnc(Br)c(C)c3)CCO2)c1 ZINC000182428351 552283803 /nfs/dbraw/zinc/28/38/03/552283803.db2.gz DNCLLPJRRCHWPP-AWEZNQCLSA-N 0 0 394.273 2.590 10 0 GFAERN O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000183145061 552301551 /nfs/dbraw/zinc/30/15/51/552301551.db2.gz ZPQTZJUTGFBYON-UONOGXRCSA-N 0 0 395.253 2.564 10 0 GFAERN Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)c(C)o1 ZINC000183274212 552305210 /nfs/dbraw/zinc/30/52/10/552305210.db2.gz AKRCKTSQGTUIEC-HIFRSBDPSA-N 0 0 384.523 2.698 10 0 GFAERN Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2c(Cl)cccc2Cl)n1 ZINC000183747566 552318610 /nfs/dbraw/zinc/31/86/10/552318610.db2.gz XVEWEYIKVYSBCA-CYBMUJFWSA-N 0 0 392.264 2.588 10 0 GFAERN CC[N@H+](CCO)CCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183985516 552324593 /nfs/dbraw/zinc/32/45/93/552324593.db2.gz LYXQNLPDONIUPT-DOTOQJQBSA-N 0 0 389.323 2.892 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2cccc(Br)c2Cl)C[C@H]1C ZINC000184054382 552326284 /nfs/dbraw/zinc/32/62/84/552326284.db2.gz OIANBLZEZXYCJZ-GHMZBOCLSA-N 0 0 375.694 2.630 10 0 GFAERN Cc1ncc(CN2CCN(S(=O)(=O)Cc3ccc(C)c(F)c3)CC2)s1 ZINC000184144554 552328678 /nfs/dbraw/zinc/32/86/78/552328678.db2.gz NMHTXTDQTILEQS-UHFFFAOYSA-N 0 0 383.514 2.547 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000184713148 552343095 /nfs/dbraw/zinc/34/30/95/552343095.db2.gz LVMHHQIQNPXFJJ-UONOGXRCSA-N 0 0 384.318 2.608 10 0 GFAERN O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@H]1CCCn2ncnc21 ZINC000184719914 552343110 /nfs/dbraw/zinc/34/31/10/552343110.db2.gz IFCJOQNIRJZUEO-AWEZNQCLSA-N 0 0 389.257 2.856 10 0 GFAERN CCc1nnc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)n1C ZINC000185269846 552359158 /nfs/dbraw/zinc/35/91/58/552359158.db2.gz JMYIXXWAWVMXIQ-CQSZACIVSA-N 0 0 383.265 2.853 10 0 GFAERN C[C@H]1CN(C(=O)c2ncc(Br)cc2Br)C[C@H](C)O1 ZINC000186173626 552381039 /nfs/dbraw/zinc/38/10/39/552381039.db2.gz JAHNRWBSGCAPSN-YUMQZZPRSA-N 0 0 378.064 2.856 10 0 GFAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000186349446 552385786 /nfs/dbraw/zinc/38/57/86/552385786.db2.gz CUTNLMTYJQGJGX-ZDUSSCGKSA-N 0 0 392.264 2.588 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)c2ccc(OC)c(Br)n2)C12CCOCC2 ZINC000187076393 552406069 /nfs/dbraw/zinc/40/60/69/552406069.db2.gz XMRXWOCJQMZMKH-UONOGXRCSA-N 0 0 399.285 2.557 10 0 GFAERN CC[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000187381936 552414467 /nfs/dbraw/zinc/41/44/67/552414467.db2.gz MYZWVRPCLUWGAS-JTQLQIEISA-N 0 0 376.404 2.533 10 0 GFAERN CN1CCO[C@@H](CNC(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000187497879 552417388 /nfs/dbraw/zinc/41/73/88/552417388.db2.gz FDVPWNBKCIPFPG-HNNXBMFYSA-N 0 0 396.329 2.669 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(I)c(F)c1 ZINC000187701267 552422131 /nfs/dbraw/zinc/42/21/31/552422131.db2.gz OMTKBKMJLLHINP-CQSZACIVSA-N 0 0 391.180 2.598 10 0 GFAERN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000187813469 552424946 /nfs/dbraw/zinc/42/49/46/552424946.db2.gz CQKRVMNMIWAHIK-JKSUJKDBSA-N 0 0 398.345 2.742 10 0 GFAERN Cc1cc(C(=O)N2CCCNC(=O)[C@@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC000188851992 552457062 /nfs/dbraw/zinc/45/70/62/552457062.db2.gz XSKGZEHOHQDLTR-NSHDSACASA-N 0 0 381.263 2.838 10 0 GFAERN O=C(NC1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1)C1CC1 ZINC000189467413 552472707 /nfs/dbraw/zinc/47/27/07/552472707.db2.gz UWMDKODJFJFVSO-UHFFFAOYSA-N 0 0 377.282 2.608 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)Cc1ccc(Cl)c(F)c1)CC2 ZINC000189637968 552476321 /nfs/dbraw/zinc/47/63/21/552476321.db2.gz VKZHKRBIVJUOSA-GFCCVEGCSA-N 0 0 386.880 2.628 10 0 GFAERN Cc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190326589 552493017 /nfs/dbraw/zinc/49/30/17/552493017.db2.gz XJXSLUQMKAJDSX-ZFWWWQNUSA-N 0 0 378.881 2.883 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)c3nc(Br)ccc3C)CC2)nn1 ZINC000191240047 552522192 /nfs/dbraw/zinc/52/21/92/552522192.db2.gz ZMCNIJCRMMDFLN-UHFFFAOYSA-N 0 0 390.285 2.603 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@H]1CCCO[C@H]1C)c1ccc(Br)cc1 ZINC000191419283 552527636 /nfs/dbraw/zinc/52/76/36/552527636.db2.gz VBBQUARQRLNHKO-CQDKDKBSSA-N 0 0 384.270 2.985 10 0 GFAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000191856460 552539919 /nfs/dbraw/zinc/53/99/19/552539919.db2.gz IQDAOHUGKHOJMS-FZMZJTMJSA-N 0 0 380.491 2.967 10 0 GFAERN C[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@H]1N1CCOCC1 ZINC000191917055 552542735 /nfs/dbraw/zinc/54/27/35/552542735.db2.gz CAMGYCIVJRVLGE-RHSMWYFYSA-N 0 0 393.325 2.660 10 0 GFAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000192075258 552549696 /nfs/dbraw/zinc/54/96/96/552549696.db2.gz RUYPLRQQFACFET-SKDRFNHKSA-N 0 0 375.252 2.608 10 0 GFAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1csc(C(F)(F)F)n1 ZINC000192144100 552552796 /nfs/dbraw/zinc/55/27/96/552552796.db2.gz ARTCDWITQFKILC-VIFPVBQESA-N 0 0 376.381 2.810 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000192145160 552552968 /nfs/dbraw/zinc/55/29/68/552552968.db2.gz DSKPCWUCTNHDOZ-NSHDSACASA-N 0 0 387.249 2.599 10 0 GFAERN O=C(Nc1cc2c(cc1Br)CCC2)N[C@@H]1CCc2ncnn2C1 ZINC000192470161 552565010 /nfs/dbraw/zinc/56/50/10/552565010.db2.gz YQUQNWUCFVMWEC-GFCCVEGCSA-N 0 0 376.258 2.666 10 0 GFAERN COC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000193121600 552984077 /nfs/dbraw/zinc/98/40/77/552984077.db2.gz SXSBJASGIUKKBU-LLVKDONJSA-N 0 0 393.608 2.722 10 0 GFAERN CCCCOC[C@@H](O)CN(C)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000193385839 552991710 /nfs/dbraw/zinc/99/17/10/552991710.db2.gz SQQDCELIBDBLKC-ZDUSSCGKSA-N 0 0 394.331 2.556 10 0 GFAERN CCc1nnc(C[S@@](=O)Cc2csc(-c3ccccc3OC)n2)n1C ZINC000194125218 553012156 /nfs/dbraw/zinc/01/21/56/553012156.db2.gz CFOCXYSSJPNLGW-VWLOTQADSA-N 0 0 376.507 2.959 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000194536787 553023540 /nfs/dbraw/zinc/02/35/40/553023540.db2.gz SZSISBUIFGAEIL-JSGCOSHPSA-N 0 0 377.242 2.625 10 0 GFAERN O=C(N[C@@H]1CCC[C@H](O)C1)c1cc(Cl)ccc1I ZINC000225899612 553060803 /nfs/dbraw/zinc/06/08/03/553060803.db2.gz NNMJSGGGTIRALW-ZJUUUORDSA-N 0 0 379.625 2.978 10 0 GFAERN CCN1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000233488594 553067352 /nfs/dbraw/zinc/06/73/52/553067352.db2.gz PEHGXZNNFULHCF-JTQLQIEISA-N 0 0 381.723 2.865 10 0 GFAERN Cc1csc([C@@H]2CN([C@@H](C(N)=O)c3ccc(Br)cc3)CCO2)n1 ZINC000245928583 553099786 /nfs/dbraw/zinc/09/97/86/553099786.db2.gz XMAHUIDNXOYMNA-UONOGXRCSA-N 0 0 396.310 2.814 10 0 GFAERN Cc1nc(CC(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)c(C)s1 ZINC000246901975 553115131 /nfs/dbraw/zinc/11/51/31/553115131.db2.gz FKDQWRNUAPWNEF-BLLLJJGKSA-N 0 0 379.551 2.942 10 0 GFAERN CC(C)OCCS(=O)(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246876422 553115218 /nfs/dbraw/zinc/11/52/18/553115218.db2.gz WOWAIXHCEJGIGX-GJZGRUSLSA-N 0 0 381.416 2.568 10 0 GFAERN C[C@H](NC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1Br ZINC000247252309 553120378 /nfs/dbraw/zinc/12/03/78/553120378.db2.gz NOWRLNNXPALIQY-SRVKXCTJSA-N 0 0 391.331 2.973 10 0 GFAERN CCOCCN1CCN(CC(=O)Nc2ccc(C)cc2Br)C[C@H]1C ZINC000247539466 553123312 /nfs/dbraw/zinc/12/33/12/553123312.db2.gz CWUQAIGKKOIQNV-OAHLLOKOSA-N 0 0 398.345 2.739 10 0 GFAERN C[C@@H]1CN([C@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)CCO1 ZINC000248336313 553128301 /nfs/dbraw/zinc/12/83/01/553128301.db2.gz GZORVWWMQYOXTF-CZUORRHYSA-N 0 0 384.498 2.628 10 0 GFAERN Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)cc1 ZINC000248370606 553128988 /nfs/dbraw/zinc/12/89/88/553128988.db2.gz XSEWCUBPUFXHDD-RDJZCZTQSA-N 0 0 380.535 2.797 10 0 GFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(OC)c(Br)n1 ZINC000248441709 553129479 /nfs/dbraw/zinc/12/94/79/553129479.db2.gz KISQITSDENEPKS-WXHSDQCUSA-N 0 0 397.269 2.799 10 0 GFAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000248874598 553136709 /nfs/dbraw/zinc/13/67/09/553136709.db2.gz LUFRPVYPKVKDNZ-ONGXEEELSA-N 0 0 393.292 2.549 10 0 GFAERN CC(=O)N[C@H](CC(=O)N[C@H](C)[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000248903025 553137307 /nfs/dbraw/zinc/13/73/07/553137307.db2.gz UNWCXTGKASAHSV-LYRGGWFBSA-N 0 0 383.286 2.700 10 0 GFAERN C[C@@H](C(=O)N1C[C@@H](C)OC[C@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000249043438 553138553 /nfs/dbraw/zinc/13/85/53/553138553.db2.gz FFGMOMMSQGTQBJ-BBBLOLIVSA-N 0 0 385.247 2.614 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000262910039 553178456 /nfs/dbraw/zinc/17/84/56/553178456.db2.gz JNBMUSVJGROWGL-UHFFFAOYSA-N 0 0 375.288 2.522 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2sccc2Br)CC1 ZINC000262984449 553180007 /nfs/dbraw/zinc/18/00/07/553180007.db2.gz UNMNAXPWKKCQHB-SNVBAGLBSA-N 0 0 375.288 2.522 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NCC2=Cc3cc(Br)ccc3OC2)C1 ZINC000263460603 553188132 /nfs/dbraw/zinc/18/81/32/553188132.db2.gz BQUXZODEKPNALO-UHFFFAOYSA-N 0 0 395.297 2.752 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Nc2ccc(Br)cc2)C1 ZINC000263499815 553188711 /nfs/dbraw/zinc/18/87/11/553188711.db2.gz SNGSHNZJUCJUOE-UHFFFAOYSA-N 0 0 396.285 2.898 10 0 GFAERN COc1cc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)c(OC)c2)ccc1O ZINC000013377891 560215670 /nfs/dbraw/zinc/21/56/70/560215670.db2.gz OELMAFBLFOKZJD-IAGOWNOFSA-N 0 0 376.449 2.792 10 0 biogenic,in-vitro GFAERN CC1(C)NC(=O)CC[C@H]1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000370213257 563237442 /nfs/dbraw/zinc/23/74/42/563237442.db2.gz SZBHWOOPHPRFSQ-CHWSQXEVSA-N 0 0 396.285 2.629 10 0 GFAERN O=C(C1CCCC1)N1CCN(CCNc2ccc(Br)cn2)CC1 ZINC000301332607 563400973 /nfs/dbraw/zinc/40/09/73/563400973.db2.gz AYLDSBTUVDRQAY-UHFFFAOYSA-N 0 0 381.318 2.590 10 0 GFAERN O=S(=O)(NC1CC1)c1ccc(CNc2cncc(Br)c2)cc1 ZINC000301388746 563402309 /nfs/dbraw/zinc/40/23/09/563402309.db2.gz YTBFJVHSZCUPFB-UHFFFAOYSA-N 0 0 382.283 2.897 10 0 GFAERN Cc1cc(Br)cnc1N1CCCN(C(=O)c2ccncc2)CC1 ZINC000301608867 563407815 /nfs/dbraw/zinc/40/78/15/563407815.db2.gz AGPKYGLYCMCWEY-UHFFFAOYSA-N 0 0 375.270 2.900 10 0 GFAERN CCc1nn(C)c(OC)c1CNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000301961260 563417346 /nfs/dbraw/zinc/41/73/46/563417346.db2.gz RPWPHWMFFIKBPT-UHFFFAOYSA-N 0 0 377.388 2.897 10 0 GFAERN COC(=O)c1cc(N2CC[C@H](C)[C@@H](O)C2)c2cc(Br)ccc2n1 ZINC000301964414 563417419 /nfs/dbraw/zinc/41/74/19/563417419.db2.gz WCXLDDAADXALRQ-QFYYESIMSA-N 0 0 379.254 2.991 10 0 GFAERN CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)c1sccc1Br ZINC000328638484 563462644 /nfs/dbraw/zinc/46/26/44/563462644.db2.gz WLNVZLUENUCRMH-JTQLQIEISA-N 0 0 390.328 2.590 10 0 GFAERN COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](C)COCc1ccccc1 ZINC000390409960 563522482 /nfs/dbraw/zinc/52/24/82/563522482.db2.gz DLDQCKUXSADKGN-CYBMUJFWSA-N 0 0 383.491 2.727 10 0 GFAERN O=C(Nc1cc(Br)cc(Br)c1)[C@H]1CCC(=O)NC1 ZINC000529694113 564847495 /nfs/dbraw/zinc/84/74/95/564847495.db2.gz RRYIPQLNNHGHCG-ZETCQYMHSA-N 0 0 376.048 2.676 10 0 GFAERN CCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1F)C(=O)OC ZINC000006773133 570383054 /nfs/dbraw/zinc/38/30/54/570383054.db2.gz CHLOAWDJLZCHTD-GOSISDBHSA-N 0 0 377.391 2.786 10 0 GFAERN CCCCOc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)cc1 ZINC000224233882 570437174 /nfs/dbraw/zinc/43/71/74/570437174.db2.gz XAOMEFFNGJDGIW-UHFFFAOYSA-N 0 0 378.498 2.508 10 0 GFAERN CCOCCCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000006868567 570656283 /nfs/dbraw/zinc/65/62/83/570656283.db2.gz FWZHGDRKBYJDCJ-MRXNPFEDSA-N 0 0 388.468 2.504 10 0 GFAERN COc1ccc(F)c(-c2nc(CN3CCN(c4nonc4C)CC3)c(C)o2)c1 ZINC000055154209 570685321 /nfs/dbraw/zinc/68/53/21/570685321.db2.gz PLNXBQHNORPFHE-UHFFFAOYSA-N 0 0 387.415 2.811 10 0 GFAERN CCN1CCN(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C(=O)C1=O ZINC000065130460 570706122 /nfs/dbraw/zinc/70/61/22/570706122.db2.gz LSAQQRBECFSFLT-UHFFFAOYSA-N 0 0 385.851 2.783 10 0 GFAERN COc1ccc2c(c1)[C@@]1(CCN(C(=O)Nc3ccc(OC)c(F)c3)C1)C(=O)N2 ZINC000065249092 570865129 /nfs/dbraw/zinc/86/51/29/570865129.db2.gz IRVIAAZJJQVVLL-FQEVSTJZSA-N 0 0 385.395 2.971 10 0 GFAERN Cc1ccc(N(C)C(=O)c2nc3c(cnn3C)c(N3CCSCC3)n2)cc1 ZINC000065257219 570885547 /nfs/dbraw/zinc/88/55/47/570885547.db2.gz VTDGCBYLFSVACA-UHFFFAOYSA-N 0 0 382.493 2.502 10 0 GFAERN CC[C@H]1CN2C=NC(N3CCN(C(=O)Nc4cccc(SC)c4)CC3)=CC2=N1 ZINC000097087486 570891011 /nfs/dbraw/zinc/89/10/11/570891011.db2.gz ZTJJQCGSUDRCFX-HNNXBMFYSA-N 0 0 398.536 2.934 10 0 GFAERN Cc1ccc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1Cl ZINC000007940701 654477121 /nfs/dbraw/zinc/47/71/21/654477121.db2.gz YDCXKVWLRZKUAP-NSHDSACASA-N 0 0 377.853 2.714 10 0 GFAERN O=C(CNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(Br)cc1 ZINC000015350889 654509338 /nfs/dbraw/zinc/50/93/38/654509338.db2.gz NAUZEDOHCAWPBA-ZHACJKMWSA-N 0 0 395.278 2.978 10 0 GFAERN C[C@@H](NC(=O)NCc1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000122014378 654728041 /nfs/dbraw/zinc/72/80/41/654728041.db2.gz NGMIRWNUUUYEBP-LLVKDONJSA-N 0 0 378.274 2.937 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000055545199 654776134 /nfs/dbraw/zinc/77/61/34/654776134.db2.gz GETXJMLGJDAYIX-LBPRGKRZSA-N 0 0 380.388 2.570 10 0 GFAERN C[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000057197624 654802733 /nfs/dbraw/zinc/80/27/33/654802733.db2.gz NBHCMDJEVLNSFK-RISCZKNCSA-N 0 0 384.274 2.644 10 0 GFAERN O=C(c1cc(Cl)ccc1I)N1CC(n2cccn2)C1 ZINC000057892070 654811382 /nfs/dbraw/zinc/81/13/82/654811382.db2.gz PGBTWNCYGPRJSV-UHFFFAOYSA-N 0 0 387.608 2.838 10 0 GFAERN Cc1ccc(Br)c(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000127528390 654831414 /nfs/dbraw/zinc/83/14/14/654831414.db2.gz BZKJSUOZNLGWBR-LBPRGKRZSA-N 0 0 384.299 2.669 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3Cl)C2)n1 ZINC000127533118 654831716 /nfs/dbraw/zinc/83/17/16/654831716.db2.gz YWKHGCAGVYBYSW-OAHLLOKOSA-N 0 0 382.917 2.958 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000061854043 654842865 /nfs/dbraw/zinc/84/28/65/654842865.db2.gz WGBNZLCJKKEGMI-NSHDSACASA-N 0 0 380.853 2.559 10 0 GFAERN Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000128459913 654847498 /nfs/dbraw/zinc/84/74/98/654847498.db2.gz ANWFWBLKMRKSCK-HNNXBMFYSA-N 0 0 380.901 2.728 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000129490653 654864169 /nfs/dbraw/zinc/86/41/69/654864169.db2.gz YGFIHBNOOXCHMY-LLVKDONJSA-N 0 0 391.280 2.545 10 0 GFAERN C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000065669848 654884802 /nfs/dbraw/zinc/88/48/02/654884802.db2.gz UDRQIUAVJQIVLY-NSHDSACASA-N 0 0 397.294 2.516 10 0 GFAERN C[C@H](OC(=O)C(C)(C)NS(C)(=O)=O)c1ccc(Br)cc1F ZINC000131205864 654899027 /nfs/dbraw/zinc/89/90/27/654899027.db2.gz QQZRJAYXMBXMIQ-QMMMGPOBSA-N 0 0 382.251 2.520 10 0 GFAERN C[C@@H](OC(=O)Cn1cc(Br)ccc1=O)c1ccc2c(c1)OCCO2 ZINC000066884169 654919790 /nfs/dbraw/zinc/91/97/90/654919790.db2.gz DFPRCZNNRHPDPS-LLVKDONJSA-N 0 0 394.221 2.686 10 0 GFAERN CCCn1nccc1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000133337234 654960813 /nfs/dbraw/zinc/96/08/13/654960813.db2.gz YUQNNYRCARDFJY-LLVKDONJSA-N 0 0 379.258 2.872 10 0 GFAERN CCOCCOc1ccc(Br)cc1CN1CCC[C@@H]1C(=O)NC ZINC000092099359 655011751 /nfs/dbraw/zinc/01/17/51/655011751.db2.gz CVXNZTNHCYJMQM-OAHLLOKOSA-N 0 0 385.302 2.575 10 0 GFAERN CC(C)c1n[nH]c(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1Br ZINC000135233494 655012043 /nfs/dbraw/zinc/01/20/43/655012043.db2.gz JXNHYGABMZATLY-VIFPVBQESA-N 0 0 381.278 2.714 10 0 GFAERN C[C@@H](NC(=O)c1ccccc1I)c1nnc2n1CCCC2 ZINC000135252156 655012565 /nfs/dbraw/zinc/01/25/65/655012565.db2.gz TUKPRRGMHZRREU-SNVBAGLBSA-N 0 0 396.232 2.710 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(Cn2c(Cc3cccs3)n[nH]c2=S)C1 ZINC000101538732 655043046 /nfs/dbraw/zinc/04/30/46/655043046.db2.gz MKHXPPBRKQCRHP-ZDUSSCGKSA-N 0 0 379.555 2.931 10 0 GFAERN CCOCC[N@@H+]1CCN(Cn2nc(N3CCCC3)sc2=S)C[C@H]1CC ZINC000152616729 655060154 /nfs/dbraw/zinc/06/01/54/655060154.db2.gz FPWJYWYEPKMARO-OAHLLOKOSA-N 0 0 385.603 2.664 10 0 GFAERN CC(=O)N[C@@H]1CCCN(Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000153371069 655066496 /nfs/dbraw/zinc/06/64/96/655066496.db2.gz RCZNLKNTQBPPDW-MRXNPFEDSA-N 0 0 377.286 2.871 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CCCC[C@H]1O ZINC000103312385 655071025 /nfs/dbraw/zinc/07/10/25/655071025.db2.gz WRWMRSRLUKVYJN-DZGCQCFKSA-N 0 0 398.301 2.689 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000103478612 655072983 /nfs/dbraw/zinc/07/29/83/655072983.db2.gz NLAKISOYMDUWEF-ZDUSSCGKSA-N 0 0 392.301 2.879 10 0 GFAERN C[C@@H](OC(=O)CCCCNC(N)=O)c1ccc(I)cc1 ZINC000103701707 655075358 /nfs/dbraw/zinc/07/53/58/655075358.db2.gz FAUDUARQCQBEPE-SNVBAGLBSA-N 0 0 390.221 2.734 10 0 GFAERN O=C(OCc1cccnc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000103813482 655076240 /nfs/dbraw/zinc/07/62/40/655076240.db2.gz OCRRFNBPCVNTFC-HNNXBMFYSA-N 0 0 380.853 2.632 10 0 GFAERN CCOCCOCC(=O)O[C@H](C)c1ccc(I)cc1 ZINC000105770380 655099182 /nfs/dbraw/zinc/09/91/82/655099182.db2.gz JAGTVKZCABGSTH-LLVKDONJSA-N 0 0 378.206 2.949 10 0 GFAERN CCn1cnnc1C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000106368416 655107590 /nfs/dbraw/zinc/10/75/90/655107590.db2.gz RGMWRSCZGLODLZ-UHFFFAOYSA-N 0 0 378.483 2.593 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000161402697 655126964 /nfs/dbraw/zinc/12/69/64/655126964.db2.gz KOJCHBPNAAGLLK-RDJZCZTQSA-N 0 0 392.249 2.903 10 0 GFAERN CSc1nc2ncnc(N3CCO[C@H](Cn4nc(C)cc4C)C3)c2s1 ZINC000108950940 655139611 /nfs/dbraw/zinc/13/96/11/655139611.db2.gz ADSMZGGIJHKKDF-LBPRGKRZSA-N 0 0 376.511 2.527 10 0 GFAERN O=C(CCc1ccccc1Br)N1CCCN(c2cccnn2)CC1 ZINC000109629199 655149307 /nfs/dbraw/zinc/14/93/07/655149307.db2.gz GIBSEAQTHUUWPU-UHFFFAOYSA-N 0 0 389.297 2.911 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3cc(F)cc(Br)c3)CC2)cn1 ZINC000109658972 655150111 /nfs/dbraw/zinc/15/01/11/655150111.db2.gz MCQKDEUOZWKNRK-UHFFFAOYSA-N 0 0 395.276 2.670 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(Br)ccc2O)C1 ZINC000109855489 655153532 /nfs/dbraw/zinc/15/35/32/655153532.db2.gz IWQQWAIDAGUNDQ-NSHDSACASA-N 0 0 379.258 2.786 10 0 GFAERN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083190 655164193 /nfs/dbraw/zinc/16/41/93/655164193.db2.gz RWQNRLYEVLKCRD-TZMCWYRMSA-N 0 0 384.263 2.885 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C)CCO2)n1 ZINC000111345078 655169431 /nfs/dbraw/zinc/16/94/31/655169431.db2.gz LKPSRTGSNQJHKT-OAHLLOKOSA-N 0 0 383.901 2.551 10 0 GFAERN COc1cccc(SCC(=O)N2CCN(Cc3cnc(C)s3)CC2)c1 ZINC000111663536 655175573 /nfs/dbraw/zinc/17/55/73/655175573.db2.gz LHYFYXVDOPDCHI-UHFFFAOYSA-N 0 0 377.535 2.897 10 0 GFAERN Cc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1Cl ZINC000173691548 655176242 /nfs/dbraw/zinc/17/62/42/655176242.db2.gz HREBEECFMFEFGL-LBPRGKRZSA-N 0 0 382.251 2.696 10 0 GFAERN O[C@@H](CN1CCN(Cn2nc(C3CC3)sc2=S)CC1)c1ccccc1 ZINC000173896824 655184134 /nfs/dbraw/zinc/18/41/34/655184134.db2.gz XOEQRDQDXOPSMC-INIZCTEOSA-N 0 0 376.551 2.860 10 0 GFAERN CCN(C(=O)N[C@@H](C)c1ccccc1Br)[C@H](C)CS(C)(=O)=O ZINC000112714009 655196391 /nfs/dbraw/zinc/19/63/91/655196391.db2.gz RQMQGQGBIUHRPQ-NEPJUHHUSA-N 0 0 391.331 2.975 10 0 GFAERN COC(=O)C[C@@H](NC(=O)NCC(C)(C)OC)c1cccc(Br)c1 ZINC000174274998 655196642 /nfs/dbraw/zinc/19/66/42/655196642.db2.gz ZILLWMHMAZZRRT-CYBMUJFWSA-N 0 0 387.274 2.778 10 0 GFAERN C[C@H](CCc1ccc(Br)cc1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112745569 655197097 /nfs/dbraw/zinc/19/70/97/655197097.db2.gz LZXJRTIPOBXTNV-DOMZBBRYSA-N 0 0 392.301 2.676 10 0 GFAERN Cc1cnc(CNC(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)s1 ZINC000174947015 655211149 /nfs/dbraw/zinc/21/11/49/655211149.db2.gz VDEDOSHILXWRPW-TZMCWYRMSA-N 0 0 380.539 2.774 10 0 GFAERN C[C@H](OC(=O)COc1ccc(I)cc1)[C@@H]1CCOC1 ZINC000175262897 655216851 /nfs/dbraw/zinc/21/68/51/655216851.db2.gz DBSNUBJWUYXJSN-WDEREUQCSA-N 0 0 376.190 2.638 10 0 GFAERN CNS(=O)(=O)c1cccc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)c1 ZINC000175487205 655221546 /nfs/dbraw/zinc/22/15/46/655221546.db2.gz BMTVNGCFXGJMBZ-LLVKDONJSA-N 0 0 394.396 2.820 10 0 GFAERN Brc1ccccc1-n1nnnc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114483368 655224872 /nfs/dbraw/zinc/22/48/72/655224872.db2.gz RJGFMRSKWZEPRU-AWEZNQCLSA-N 0 0 388.273 2.875 10 0 GFAERN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3nc(C)cs3)C2)oc1C ZINC000175837699 655227954 /nfs/dbraw/zinc/22/79/54/655227954.db2.gz RQAJTUBNGMRUBM-GFCCVEGCSA-N 0 0 384.479 2.708 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1[nH]c3ccccc3c1Br)CC2 ZINC000114868337 655230065 /nfs/dbraw/zinc/23/00/65/655230065.db2.gz YRWHTEXDEMDGMW-JTQLQIEISA-N 0 0 388.269 2.829 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H]1CCCC[C@H]1CO ZINC000176024362 655232105 /nfs/dbraw/zinc/23/21/05/655232105.db2.gz PZLGERXRJYPVAL-JSGCOSHPSA-N 0 0 398.301 2.546 10 0 GFAERN Cc1cc(CCC(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1Br ZINC000176186831 655238795 /nfs/dbraw/zinc/23/87/95/655238795.db2.gz YJFGQJFGHQIVEQ-MRXNPFEDSA-N 0 0 381.314 2.623 10 0 GFAERN Cc1[nH]c(=S)sc1CC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176422822 655245179 /nfs/dbraw/zinc/24/51/79/655245179.db2.gz SYKWLDHMLKYKMR-LBPRGKRZSA-N 0 0 377.539 2.964 10 0 GFAERN O=C(N[C@H]1CCCn2ncnc21)NC1(c2ccc(Br)cc2)CC1 ZINC000176469535 655246659 /nfs/dbraw/zinc/24/66/59/655246659.db2.gz FPMFDXLDVHZKNY-ZDUSSCGKSA-N 0 0 376.258 2.864 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)Nc2nc(C)cs2)CC1 ZINC000116928210 655256972 /nfs/dbraw/zinc/25/69/72/655256972.db2.gz GOEOCVXDFOCMEB-UHFFFAOYSA-N 0 0 382.921 2.751 10 0 GFAERN COc1ccc(CCC(=O)N[C@@H]2CCCn3ncnc32)cc1Br ZINC000177564998 655281614 /nfs/dbraw/zinc/28/16/14/655281614.db2.gz HQJGEKPGAWBHCW-CYBMUJFWSA-N 0 0 379.258 2.633 10 0 GFAERN COC(=O)Cn1ccc(NC(=O)N[C@H](C)c2ccccc2Br)n1 ZINC000118892778 655283104 /nfs/dbraw/zinc/28/31/04/655283104.db2.gz WEFFYNFUOGLONW-SNVBAGLBSA-N 0 0 381.230 2.701 10 0 GFAERN CN(Cc1ncc(Cl)n1C)C[C@H](O)COc1cccc(Br)c1 ZINC000179878766 655319024 /nfs/dbraw/zinc/31/90/24/655319024.db2.gz YDVRFMJMSRZHIJ-LBPRGKRZSA-N 0 0 388.693 2.708 10 0 GFAERN C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccs1)c1ccc(Cl)s1 ZINC000119908682 655320651 /nfs/dbraw/zinc/32/06/51/655320651.db2.gz QESUXEKPACPLFS-SECBINFHSA-N 0 0 393.943 2.802 10 0 GFAERN Cc1csc([C@@H](OC(=O)c2cn(CC3(C)COC3)nn2)C(F)(F)F)n1 ZINC000185108781 655362534 /nfs/dbraw/zinc/36/25/34/655362534.db2.gz JQVZEPCXOYZJHS-SNVBAGLBSA-N 0 0 376.360 2.540 10 0 GFAERN O=S(=O)(N[C@H]1COc2ccccc21)c1cc(Br)cc2c1OCC2 ZINC000185929866 655366968 /nfs/dbraw/zinc/36/69/68/655366968.db2.gz NVYOXCNGGMXNJH-ZDUSSCGKSA-N 0 0 396.262 2.796 10 0 GFAERN CCn1cc([C@H]2CN(Cn3nc(N4CCCC4)sc3=S)CCO2)cn1 ZINC000189849183 655388774 /nfs/dbraw/zinc/38/87/74/655388774.db2.gz OQGCIGTWJTYIQK-CQSZACIVSA-N 0 0 380.543 2.522 10 0 GFAERN Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)/C=C\c1ccccc1 ZINC000215224372 655421870 /nfs/dbraw/zinc/42/18/70/655421870.db2.gz CLSSAYLMGLZXFV-QXMHVHEDSA-N 0 0 380.491 2.658 10 0 GFAERN CCc1cc2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)sc2s1 ZINC000222801181 655422151 /nfs/dbraw/zinc/42/21/51/655422151.db2.gz PWUURBCYCQXMQZ-AWEZNQCLSA-N 0 0 378.519 2.989 10 0 GFAERN COCCn1c(C(=O)N(C)Cc2ccnn2C)cc2oc(Br)cc21 ZINC000223708031 655422464 /nfs/dbraw/zinc/42/24/64/655422464.db2.gz VIGMTKZDFMABGU-UHFFFAOYSA-N 0 0 395.257 2.649 10 0 GFAERN O=C(COc1nsnc1-c1ccc(Cl)cc1)NCCCn1ccnc1 ZINC000223741924 655422495 /nfs/dbraw/zinc/42/24/95/655422495.db2.gz XVWCRQBWQWYNJZ-UHFFFAOYSA-N 0 0 377.857 2.640 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000245198170 655427375 /nfs/dbraw/zinc/42/73/75/655427375.db2.gz DRTGFXIHRSXGID-AXFHLTTASA-N 0 0 393.292 2.883 10 0 GFAERN Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cnc1Cl ZINC000246716258 655430402 /nfs/dbraw/zinc/43/04/02/655430402.db2.gz NUOHEMGWOJBRTQ-ABAIWWIYSA-N 0 0 388.823 2.818 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC000702796075 655521828 /nfs/dbraw/zinc/52/18/28/655521828.db2.gz MPNSTRBLBIDNMV-GWCFXTLKSA-N 0 0 389.279 2.951 10 0 GFAERN Cc1cnc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1 ZINC000702855792 655521906 /nfs/dbraw/zinc/52/19/06/655521906.db2.gz CTGNPUDDVSNXGM-WCQYABFASA-N 0 0 386.290 2.792 10 0 GFAERN C[C@H](O)[C@H](C)NC(=O)c1ccc(I)c(Br)c1 ZINC000721587984 655524974 /nfs/dbraw/zinc/52/49/74/655524974.db2.gz NRDBMVAURUVCGG-BQBZGAKWSA-N 0 0 398.038 2.553 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000779880419 656953157 /nfs/dbraw/zinc/95/31/57/656953157.db2.gz PDVRBKSWKLKYQZ-PRQMKSPXSA-N 0 0 383.857 2.794 10 0 GFAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)/C=C\c3ccc(Cl)cc3)O2)n1 ZINC000857772846 662090483 /nfs/dbraw/zinc/09/04/83/662090483.db2.gz ZKGYMQFTNJHUNI-AYPKIECRSA-N 0 0 383.857 2.842 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC([C@@H](F)C(N)=O)CC1 ZINC000913120044 664325408 /nfs/dbraw/zinc/32/54/08/664325408.db2.gz LFMOHYHBHISOQB-YMTOWFKASA-N 0 0 377.243 2.823 10 0 GFAERN CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc21 ZINC000001320766 209116275 /nfs/dbraw/zinc/11/62/75/209116275.db2.gz SDKJCLORUOAKIC-UHFFFAOYSA-N 0 0 385.401 2.914 10 0 GFAERN CC(C)n1cc(C[C@@H]2NC(=O)N(Cc3cc(Cl)cc4cccnc43)C2=O)nn1 ZINC000328611220 206233921 /nfs/dbraw/zinc/23/39/21/206233921.db2.gz KSGLSVCCHNLUNL-INIZCTEOSA-N 0 0 398.854 2.928 10 0 GFAERN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)C=O)CC2 ZINC000005641918 206262291 /nfs/dbraw/zinc/26/22/91/206262291.db2.gz HTWMEJLBEVTMMZ-INIZCTEOSA-N 0 0 399.443 2.824 10 0 in-vitro GFAERN C[C@H](O)CCC[C@@H](C(=O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000255995838 206286109 /nfs/dbraw/zinc/28/61/09/206286109.db2.gz PYEXHWGXGAGHAH-KXBFYZLASA-N 0 0 381.428 2.946 10 0 GFAERN [NH3+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000005161642 206292980 /nfs/dbraw/zinc/29/29/80/206292980.db2.gz LHFGKSNSZPZEPC-QMMMGPOBSA-N 0 0 399.344 2.730 10 0 GFAERN C[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3ccc(Cl)cc3)CC2)C1=O ZINC000031320176 206303962 /nfs/dbraw/zinc/30/39/62/206303962.db2.gz UAKLTFBWZYUSKE-NRFANRHFSA-N 0 0 398.894 2.887 10 0 GFAERN CC(=O)N1C(=S)NC(=O)C1=Cc1cc2ccc(C)cc2nc1N1CCOCC1 ZINC000001306353 206371322 /nfs/dbraw/zinc/37/13/22/206371322.db2.gz OSBOKWZOAAKQHF-GZTJUZNOSA-N 0 0 396.472 2.824 10 0 GFAERN NC(=O)c1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000005768077 206628391 /nfs/dbraw/zinc/62/83/91/206628391.db2.gz IJHPPDMLROSUIP-UHFFFAOYSA-N 0 0 387.189 2.907 10 0 GFAERN CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000007215664 206705238 /nfs/dbraw/zinc/70/52/38/206705238.db2.gz KGZFUTXROMDPLA-UHFFFAOYSA-N 0 0 397.722 2.638 10 0 GFAERN CCOC(=O)c1nn(CC(C)C)c2c1CN(C(=O)c1n[nH]c3c1CCCC3)CC2 ZINC000014745038 207028086 /nfs/dbraw/zinc/02/80/86/207028086.db2.gz DULLAGPHPCGNHS-UHFFFAOYSA-N 0 0 399.495 2.516 10 0 GFAERN Cc1ncc(C(=O)N2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)c(C)n1 ZINC000072424652 208021993 /nfs/dbraw/zinc/02/19/93/208021993.db2.gz WNLRLDQXXOODHS-UHFFFAOYSA-N 0 0 378.476 2.748 10 0 GFAERN CNc1nc(C)c(C(=O)N2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)s1 ZINC000091690962 208133502 /nfs/dbraw/zinc/13/35/02/208133502.db2.gz FZHIUTIYMRISIK-LJQANCHMSA-N 0 0 376.526 2.748 10 0 GFAERN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000095075526 208153333 /nfs/dbraw/zinc/15/33/33/208153333.db2.gz HCBVWUMVPZSWBO-SFHVURJKSA-N 0 0 390.480 2.932 10 0 GFAERN O=S(=O)(/C=C\c1ccccc1)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000101323197 208390402 /nfs/dbraw/zinc/39/04/02/208390402.db2.gz JPMZHSHLBZUJSN-SSZFMOIBSA-N 0 0 391.514 2.925 10 0 GFAERN Cc1c(Br)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)nn1C ZINC000032647578 208989855 /nfs/dbraw/zinc/98/98/55/208989855.db2.gz GNGBJDPJFHHSLN-UHFFFAOYSA-N 0 0 381.249 2.593 10 0 GFAERN O=C(c1c[nH]cn1)N1CCC2(CC1)Nc1ccccc1N(CC1CCC1)C2=O ZINC000063868713 136156590 /nfs/dbraw/zinc/15/65/90/136156590.db2.gz KOLNIJWZDRALNH-UHFFFAOYSA-N 0 0 379.464 2.643 10 0 GFAERN COc1cccc(N2CCN(C(=O)c3cn(-c4ccc(F)c(C)c4)nn3)CC2)c1 ZINC000067263143 136164519 /nfs/dbraw/zinc/16/45/19/136164519.db2.gz CSEPEAJOERTFBZ-UHFFFAOYSA-N 0 0 395.438 2.686 10 0 GFAERN CCN(C)C(=O)c1ccc(N2CCC3(CC2)c2ccccc2N(C)C3=O)nc1 ZINC000072165885 136167265 /nfs/dbraw/zinc/16/72/65/136167265.db2.gz QHWVOMFWXBGPKI-UHFFFAOYSA-N 0 0 378.476 2.688 10 0 GFAERN CCCCOc1ccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1 ZINC000224226405 136206510 /nfs/dbraw/zinc/20/65/10/136206510.db2.gz UFNYYZMXUKDUTE-UHFFFAOYSA-N 0 0 384.480 2.731 10 0 GFAERN CCO[C@]1(C(=O)Nc2ccc(F)cc2I)CCOC1 ZINC000401554177 563535113 /nfs/dbraw/zinc/53/51/13/563535113.db2.gz RTJRDQBBQBUURO-CYBMUJFWSA-N 0 0 379.169 2.564 10 0 GFAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccncc3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073685715 527610656 /nfs/dbraw/zinc/61/06/56/527610656.db2.gz PKXWKQHBGGOZLK-UHFFFAOYSA-N 0 0 393.422 2.551 10 0 GFAERN CC1=C[C@]23C(=O)[C@H](C=C4COC(C)(C)O[C@H]4[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000498035591 528145867 /nfs/dbraw/zinc/14/58/67/528145867.db2.gz ONMDPPVVEFWDOD-FWYWUCQLSA-N 0 0 388.504 2.614 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Br ZINC000007685951 551101312 /nfs/dbraw/zinc/10/13/12/551101312.db2.gz KHOJJHSSGVMBOU-SECBINFHSA-N 0 0 396.266 2.658 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000028265891 551123740 /nfs/dbraw/zinc/12/37/40/551123740.db2.gz MFENGTSLIVLLBN-ZDUSSCGKSA-N 0 0 375.288 2.592 10 0 GFAERN C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)c1cccs1 ZINC000029732603 551127283 /nfs/dbraw/zinc/12/72/83/551127283.db2.gz XXTNJDCWAZUUHQ-LLVKDONJSA-N 0 0 387.914 2.740 10 0 GFAERN C[C@@H](CNC(=O)N(Cc1cccc(Br)c1)C1CC1)N1CCOCC1 ZINC000046261846 551150016 /nfs/dbraw/zinc/15/00/16/551150016.db2.gz GXGJYCCHOZKDGC-AWEZNQCLSA-N 0 0 396.329 2.844 10 0 GFAERN CCCS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000048793481 551157309 /nfs/dbraw/zinc/15/73/09/551157309.db2.gz PVUARGGSKCXZHX-NSHDSACASA-N 0 0 393.962 2.966 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000048803785 551157484 /nfs/dbraw/zinc/15/74/84/551157484.db2.gz RPENHFBSFHNZCD-SECBINFHSA-N 0 0 380.231 2.908 10 0 GFAERN COC(=O)C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000054820399 551170743 /nfs/dbraw/zinc/17/07/43/551170743.db2.gz XDXUVYXJXFDPSO-CQDKDKBSSA-N 0 0 399.285 2.920 10 0 GFAERN C[C@@H](NC(=O)NCC(=O)Nc1cccnc1)c1ccccc1Br ZINC000101605207 551196867 /nfs/dbraw/zinc/19/68/67/551196867.db2.gz IZNVXKDLZYIAKO-LLVKDONJSA-N 0 0 377.242 2.843 10 0 GFAERN CN(CCc1ccc(Br)cc1)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000106472402 551199970 /nfs/dbraw/zinc/19/99/70/551199970.db2.gz ZFALPIUXXXFTMG-MRXNPFEDSA-N 0 0 391.313 2.879 10 0 GFAERN Cn1cc([C@@H]2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C2)cn1 ZINC000116311122 551211880 /nfs/dbraw/zinc/21/18/80/551211880.db2.gz KXZJURBUVVYGLZ-GFCCVEGCSA-N 0 0 388.320 2.990 10 0 GFAERN COCCN1CCN(C(=O)N[C@@H](C)c2ccccc2Br)C[C@@H]1C ZINC000117470499 551214276 /nfs/dbraw/zinc/21/42/76/551214276.db2.gz UKTVJKJQHLEIJD-KBPBESRZSA-N 0 0 384.318 2.872 10 0 GFAERN O=C(Nc1cccc(Br)c1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119487458 551216716 /nfs/dbraw/zinc/21/67/16/551216716.db2.gz VVQXPXFNUIEJBQ-UHFFFAOYSA-N 0 0 377.242 2.517 10 0 GFAERN O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N1CCC[C@@H]1CO ZINC000121241316 551230026 /nfs/dbraw/zinc/23/00/26/551230026.db2.gz YOSCSDNNPVXCBV-OAHLLOKOSA-N 0 0 377.238 2.524 10 0 GFAERN Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CCCn4ncnc43)s2)cs1 ZINC000121361420 551232755 /nfs/dbraw/zinc/23/27/55/551232755.db2.gz UJDJQBHIDOPICI-JTQLQIEISA-N 0 0 381.508 2.585 10 0 GFAERN O=C(NCCS(=O)(=O)c1ccccc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000121772347 551242355 /nfs/dbraw/zinc/24/23/55/551242355.db2.gz JOGFRPAJIOULMI-STQMWFEESA-N 0 0 378.416 2.881 10 0 GFAERN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1Br ZINC000128271967 551348304 /nfs/dbraw/zinc/34/83/04/551348304.db2.gz IVUUDGYEGTWPAT-OAHLLOKOSA-N 0 0 376.254 2.976 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000128559012 551350676 /nfs/dbraw/zinc/35/06/76/551350676.db2.gz QWFOISZKFOWBMD-SECBINFHSA-N 0 0 379.214 2.632 10 0 GFAERN CCNc1ncc(C(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)s1 ZINC000129598777 551358115 /nfs/dbraw/zinc/35/81/15/551358115.db2.gz DZGRIIZIYHESPA-CHWSQXEVSA-N 0 0 380.539 2.828 10 0 GFAERN C[C@@H](NS(=O)(=O)c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000131038230 551371302 /nfs/dbraw/zinc/37/13/02/551371302.db2.gz WFFPXAPONOCOOQ-SNVBAGLBSA-N 0 0 391.873 2.922 10 0 GFAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C)c1ccccc1Br ZINC000131129175 551372860 /nfs/dbraw/zinc/37/28/60/551372860.db2.gz OGNHWXOGVUXEFY-TUAOUCFPSA-N 0 0 389.315 2.727 10 0 GFAERN Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000132746905 551378476 /nfs/dbraw/zinc/37/84/76/551378476.db2.gz BQYXGOFKEGTQOL-HNNXBMFYSA-N 0 0 397.294 2.995 10 0 GFAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)Nc1ccccc1Br ZINC000152513276 551434728 /nfs/dbraw/zinc/43/47/28/551434728.db2.gz VNLZHAHFSZHSRV-AWEZNQCLSA-N 0 0 376.254 2.936 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)[C@@H](C)Cc2ccc(Br)cc2)n1 ZINC000152759618 551439678 /nfs/dbraw/zinc/43/96/78/551439678.db2.gz HNWXUDUPRAEBIB-XHDPSFHLSA-N 0 0 394.269 2.919 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000153038028 551445173 /nfs/dbraw/zinc/44/51/73/551445173.db2.gz WLUWWHJTJZCUSZ-LBPRGKRZSA-N 0 0 375.694 2.631 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)Nc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000154149396 551468792 /nfs/dbraw/zinc/46/87/92/551468792.db2.gz OJAJQCZVMATAOU-LBPRGKRZSA-N 0 0 398.236 2.874 10 0 GFAERN Cc1cc(S(=O)(=O)NCCNc2cncc(Br)c2)c(C)s1 ZINC000154390544 551474215 /nfs/dbraw/zinc/47/42/15/551474215.db2.gz KVULYWDSJIQZAD-UHFFFAOYSA-N 0 0 390.328 2.913 10 0 GFAERN C[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@@H]1N1CCOCC1 ZINC000156536130 551524423 /nfs/dbraw/zinc/52/44/23/551524423.db2.gz NCDNHSKTJOCRKU-LRDDRELGSA-N 0 0 392.297 2.723 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)Nc3ccc(F)cc3Br)CCO2)[nH]1 ZINC000162557539 551609900 /nfs/dbraw/zinc/60/99/00/551609900.db2.gz FWCVSXMGKNWIAW-GFCCVEGCSA-N 0 0 398.236 2.874 10 0 GFAERN COc1cc(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)sc1S(N)(=O)=O ZINC000162643568 551611016 /nfs/dbraw/zinc/61/10/16/551611016.db2.gz LKVPUBMPDNWPMF-ZWNOBZJWSA-N 0 0 380.491 2.773 10 0 GFAERN CC(C)[C@H](O)CC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000162800840 551613243 /nfs/dbraw/zinc/61/32/43/551613243.db2.gz JLARLKCBZHUCHF-MRXNPFEDSA-N 0 0 387.293 2.639 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000170823782 551641056 /nfs/dbraw/zinc/64/10/56/551641056.db2.gz ZGISZAGNHBHEGT-QUBYGPBYSA-N 0 0 376.048 2.675 10 0 GFAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171398307 551654702 /nfs/dbraw/zinc/65/47/02/551654702.db2.gz PSUIZOXABVZNEA-OAHLLOKOSA-N 0 0 391.269 2.793 10 0 GFAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2sccc2Br)cn1 ZINC000171432308 551655718 /nfs/dbraw/zinc/65/57/18/551655718.db2.gz UYWKPANCVPETMD-LLVKDONJSA-N 0 0 376.301 2.770 10 0 GFAERN CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000171464384 551656126 /nfs/dbraw/zinc/65/61/26/551656126.db2.gz IKZISSPBNCMHBJ-CQSZACIVSA-N 0 0 396.262 2.716 10 0 GFAERN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCS[C@H](C)C1 ZINC000171574278 551658420 /nfs/dbraw/zinc/65/84/20/551658420.db2.gz KHODTPACSYEPBH-IUODEOHRSA-N 0 0 382.913 2.917 10 0 GFAERN Cc1cc(I)ccc1NC(=O)CN1CCS[C@H](C)C1 ZINC000171702448 551661343 /nfs/dbraw/zinc/66/13/43/551661343.db2.gz NIRZTXMBZYMRGQ-LLVKDONJSA-N 0 0 390.290 2.975 10 0 GFAERN O=C(CN1CCO[C@H](c2nccs2)C1)Nc1ccccc1Br ZINC000171667683 551660743 /nfs/dbraw/zinc/66/07/43/551660743.db2.gz COOUPUVZTHORMB-ZDUSSCGKSA-N 0 0 382.283 2.918 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)no1 ZINC000171759251 551662794 /nfs/dbraw/zinc/66/27/94/551662794.db2.gz ZUSYIAJATOQORL-UHFFFAOYSA-N 0 0 383.279 2.962 10 0 GFAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000172806528 551687238 /nfs/dbraw/zinc/68/72/38/551687238.db2.gz FPCYANQRTWLBMA-GFCCVEGCSA-N 0 0 392.714 2.992 10 0 GFAERN C[C@@H](COCc1ccccc1)NC(=O)c1cc(I)c[nH]1 ZINC000172974688 551690983 /nfs/dbraw/zinc/69/09/83/551690983.db2.gz BFAWHHYWHBVNSY-NSHDSACASA-N 0 0 384.217 2.954 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)CSCc3cccc(Cl)c3)CCO2)[nH]1 ZINC000173095615 551696060 /nfs/dbraw/zinc/69/60/60/551696060.db2.gz PVAGHLOAFXVWTM-CQSZACIVSA-N 0 0 380.901 2.854 10 0 GFAERN C[C@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000173804371 552091933 /nfs/dbraw/zinc/09/19/33/552091933.db2.gz ADBRDXMXMLYSNZ-YOEHRIQHSA-N 0 0 381.314 2.561 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2cc(Br)ccc2OC)C[C@H]1C ZINC000173804423 552092198 /nfs/dbraw/zinc/09/21/98/552092198.db2.gz GOYQWPPMURJHSB-CQSZACIVSA-N 0 0 399.329 2.569 10 0 GFAERN COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c1 ZINC000173817148 552092422 /nfs/dbraw/zinc/09/24/22/552092422.db2.gz NHRKJDQGDBAOIG-CQSZACIVSA-N 0 0 380.491 2.806 10 0 GFAERN C[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@H]1N1CCOCC1 ZINC000173807413 552092706 /nfs/dbraw/zinc/09/27/06/552092706.db2.gz DXDMWWZAOWLPEX-YVEFUNNKSA-N 0 0 392.297 2.723 10 0 GFAERN C[C@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000173845050 552093554 /nfs/dbraw/zinc/09/35/54/552093554.db2.gz VBYQILYORVUMSW-WMLDXEAASA-N 0 0 395.341 2.906 10 0 GFAERN C[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)C[C@H]1N1CCOCC1 ZINC000173843191 552093633 /nfs/dbraw/zinc/09/36/33/552093633.db2.gz AILDLDYSXNLBFE-UKRRQHHQSA-N 0 0 377.535 2.593 10 0 GFAERN C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@@H]1N1CCOCC1 ZINC000173846034 552093774 /nfs/dbraw/zinc/09/37/74/552093774.db2.gz CQQUCINKYVTPCV-DOMZBBRYSA-N 0 0 387.343 2.622 10 0 GFAERN Cc1ccc([C@H](CNC(=O)N2CCS[C@@H](C)[C@@H]2C)N2CCOCC2)s1 ZINC000175013101 552113665 /nfs/dbraw/zinc/11/36/65/552113665.db2.gz ZGSHXVHQMJTTEA-JYJNAYRXSA-N 0 0 383.583 2.965 10 0 GFAERN C[C@@H]1CN([C@@H](CNS(=O)(=O)c2ccccc2F)c2cccs2)CCO1 ZINC000175223195 552118393 /nfs/dbraw/zinc/11/83/93/552118393.db2.gz FKCQRLRIRVMEDU-HIFRSBDPSA-N 0 0 384.498 2.628 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3c(F)cccc3Br)CCO2)c1 ZINC000176633695 552143044 /nfs/dbraw/zinc/14/30/44/552143044.db2.gz DOPFJRWMWRMIHK-GFCCVEGCSA-N 0 0 382.233 2.634 10 0 GFAERN COc1cc(Br)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1Cl ZINC000176829662 552146834 /nfs/dbraw/zinc/14/68/34/552146834.db2.gz HJXSRFICYJHNMF-KWQFWETISA-N 0 0 398.706 2.957 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(Br)cc1F ZINC000177698169 552157062 /nfs/dbraw/zinc/15/70/62/552157062.db2.gz MGHWSQLPCUVTJU-GFCCVEGCSA-N 0 0 383.221 2.518 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1csc(I)c1 ZINC000177724965 552157564 /nfs/dbraw/zinc/15/75/64/552157564.db2.gz OFUKLBFEOBOCRU-SECBINFHSA-N 0 0 388.234 2.518 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Oc1ccccc1Br ZINC000177718399 552157777 /nfs/dbraw/zinc/15/77/77/552157777.db2.gz MQJXVJKEHGNXAT-GWCFXTLKSA-N 0 0 379.258 2.768 10 0 GFAERN COc1ccc(Br)cc1CC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000177734879 552158403 /nfs/dbraw/zinc/15/84/03/552158403.db2.gz WASXJBIGESBTMW-ZDUSSCGKSA-N 0 0 379.258 2.551 10 0 GFAERN Cc1cc(F)c(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000178123616 552164625 /nfs/dbraw/zinc/16/46/25/552164625.db2.gz LJXQKIBSFPJUQC-NSHDSACASA-N 0 0 389.445 2.716 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1cc(Br)cc(C(F)(F)F)c1)C(C)C ZINC000179069658 552183341 /nfs/dbraw/zinc/18/33/41/552183341.db2.gz HZBSMWJSRHGJFC-LLVKDONJSA-N 0 0 381.192 2.968 10 0 GFAERN O=C(N[C@H]1CCOc2ccccc21)c1cncc(I)c1 ZINC000179122114 552185025 /nfs/dbraw/zinc/18/50/25/552185025.db2.gz ISIWPFLJNMHSRL-ZDUSSCGKSA-N 0 0 380.185 2.940 10 0 GFAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cc(F)c(F)cc1I ZINC000179229867 552187886 /nfs/dbraw/zinc/18/78/86/552187886.db2.gz WCQJDOWNUUIYPR-OQPBUACISA-N 0 0 395.187 2.850 10 0 GFAERN C[C@@H](N[C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1c(Cl)ccc(F)c1Cl ZINC000179542649 552195941 /nfs/dbraw/zinc/19/59/41/552195941.db2.gz WGDAPQNENXWFQA-ZJUUUORDSA-N 0 0 390.286 2.896 10 0 GFAERN COCCCN(C(=O)N[C@H](C)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000179570734 552196791 /nfs/dbraw/zinc/19/67/91/552196791.db2.gz ZOHUJVKAICOTKF-NEPJUHHUSA-N 0 0 394.946 2.698 10 0 GFAERN COc1cc(Br)c(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(OC)c1 ZINC000180226886 552218149 /nfs/dbraw/zinc/21/81/49/552218149.db2.gz RVJBURGPSBHOTL-DYVFJYSZSA-N 0 0 399.329 2.619 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)c1nc3ncc(Br)cn3n1)[C@@H](C)C2 ZINC000181242316 552251261 /nfs/dbraw/zinc/25/12/61/552251261.db2.gz BWONGGJGFWNVHT-IINYFYTJSA-N 0 0 386.253 2.859 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Nc1cncc(Br)c1)CC2 ZINC000181637849 552263739 /nfs/dbraw/zinc/26/37/39/552263739.db2.gz YQBDMJABLUKVCK-LLVKDONJSA-N 0 0 379.262 2.696 10 0 GFAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1ccnc(Cl)c1I ZINC000181969252 552271582 /nfs/dbraw/zinc/27/15/82/552271582.db2.gz JABRIHVRVWYZPX-WCBMZHEXSA-N 0 0 394.640 2.621 10 0 GFAERN CCc1nc(NC(=O)CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C ZINC000182195653 552278231 /nfs/dbraw/zinc/27/82/31/552278231.db2.gz BOHMAEJNRZHGAQ-LLVKDONJSA-N 0 0 381.523 2.707 10 0 GFAERN COc1ccc(C(=O)N2CCO[C@@H](c3nccs3)C2)nc1Br ZINC000183088072 552299929 /nfs/dbraw/zinc/29/99/29/552299929.db2.gz JAPIYBHUAHNEAI-LLVKDONJSA-N 0 0 384.255 2.523 10 0 GFAERN C[C@H](NC(=O)c1cn(CC2(C)COC2)nn1)c1cccc(Br)c1 ZINC000183946866 552323340 /nfs/dbraw/zinc/32/33/40/552323340.db2.gz UULQTEXJWAGBRT-NSHDSACASA-N 0 0 379.258 2.568 10 0 GFAERN C[C@@H](NC(=O)c1ncc(Br)cc1Br)[C@H]1CCCO1 ZINC000183996411 552324986 /nfs/dbraw/zinc/32/49/86/552324986.db2.gz BBVABQFYMQPCGR-GMSGAONNSA-N 0 0 378.064 2.904 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3cccc(Br)c3Cl)CCO2)[nH]1 ZINC000184075449 552326915 /nfs/dbraw/zinc/32/69/15/552326915.db2.gz JGOHBKAQWGLHED-LLVKDONJSA-N 0 0 399.676 2.997 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(F)c(C)cc2F)C12CCOCC2 ZINC000185146964 552355088 /nfs/dbraw/zinc/35/50/88/552355088.db2.gz JDDXITLHEGNVOB-JKSUJKDBSA-N 0 0 375.437 2.526 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2cc(F)ccc2Cl)C12CCOCC2 ZINC000185156755 552355593 /nfs/dbraw/zinc/35/55/93/552355593.db2.gz PHBFCLDXNKUMDW-GJZGRUSLSA-N 0 0 377.865 2.732 10 0 GFAERN CN(CCS(C)(=O)=O)C(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000185180896 552356495 /nfs/dbraw/zinc/35/64/95/552356495.db2.gz YXDYPGUXCHJBJE-DZGCQCFKSA-N 0 0 394.320 2.964 10 0 GFAERN O=C(NC1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1)C1CCC1 ZINC000186174238 552381317 /nfs/dbraw/zinc/38/13/17/552381317.db2.gz VJYLBBPPZPUROB-UHFFFAOYSA-N 0 0 396.818 2.648 10 0 GFAERN COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000186229139 552382361 /nfs/dbraw/zinc/38/23/61/552382361.db2.gz NOFGCAJRHBVROT-OAHLLOKOSA-N 0 0 398.278 2.928 10 0 GFAERN C[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)c1ccccc1Br ZINC000186240998 552382972 /nfs/dbraw/zinc/38/29/72/552382972.db2.gz OMLXQMSZXCTTEA-VIFPVBQESA-N 0 0 394.241 2.950 10 0 GFAERN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186313751 552385029 /nfs/dbraw/zinc/38/50/29/552385029.db2.gz YXGTYFGPMIWOBL-NHYWBVRUSA-N 0 0 382.844 2.714 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000186397431 552387194 /nfs/dbraw/zinc/38/71/94/552387194.db2.gz QUVOKPDBBCJCLI-OAHLLOKOSA-N 0 0 380.293 2.795 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2O)C12CCOCC2 ZINC000186462426 552388326 /nfs/dbraw/zinc/38/83/26/552388326.db2.gz ILKQLOSLTGIWKR-LSDHHAIUSA-N 0 0 384.270 2.859 10 0 GFAERN Cc1cc(S(=O)(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)sc1Cl ZINC000187983866 552429920 /nfs/dbraw/zinc/42/99/20/552429920.db2.gz UMWHOCFYCBIKDT-LBPRGKRZSA-N 0 0 386.930 2.789 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3ccc(F)cc3Br)CCO2)c1 ZINC000188157726 552437115 /nfs/dbraw/zinc/43/71/15/552437115.db2.gz CUUBZYHWYOUMRS-OAHLLOKOSA-N 0 0 396.260 2.563 10 0 GFAERN Cc1ccc(Br)nc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000189072459 552462603 /nfs/dbraw/zinc/46/26/03/552462603.db2.gz CVRJXNAGPOIQSY-LBPRGKRZSA-N 0 0 395.278 2.801 10 0 GFAERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)c2cc(Br)ccc2n1 ZINC000189253138 552467008 /nfs/dbraw/zinc/46/70/08/552467008.db2.gz DCJLEHJLKXLTLT-LLVKDONJSA-N 0 0 376.254 2.656 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(C)c1Br ZINC000189877568 552481889 /nfs/dbraw/zinc/48/18/89/552481889.db2.gz DJKVSLZZVYBFAB-CYBMUJFWSA-N 0 0 378.274 2.992 10 0 GFAERN COC(=O)C[C@H](NC(=O)CCOCC(F)F)c1cccc(Br)c1 ZINC000189975619 552484203 /nfs/dbraw/zinc/48/42/03/552484203.db2.gz MIXJZMDKFNWNNC-LBPRGKRZSA-N 0 0 394.212 2.841 10 0 GFAERN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](CO)c1ccccc1 ZINC000189986844 552484400 /nfs/dbraw/zinc/48/44/00/552484400.db2.gz SWAWSMIDFRDMEW-CQSZACIVSA-N 0 0 388.258 2.909 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(Br)n1 ZINC000190159948 552489219 /nfs/dbraw/zinc/48/92/19/552489219.db2.gz CRESPVWBFTXLAJ-CYBMUJFWSA-N 0 0 392.257 2.568 10 0 GFAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000190750806 552508034 /nfs/dbraw/zinc/50/80/34/552508034.db2.gz RTIKVRZCRTWCIU-OAHLLOKOSA-N 0 0 391.269 2.584 10 0 GFAERN CC(=O)NC1CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1 ZINC000191495289 552530277 /nfs/dbraw/zinc/53/02/77/552530277.db2.gz ALYUBDDJXOBTMW-UHFFFAOYSA-N 0 0 377.853 2.614 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Cc3ccc(Br)s3)CCO2)cn1 ZINC000191775997 552537377 /nfs/dbraw/zinc/53/73/77/552537377.db2.gz BWGHWSQRBAQSRW-CYBMUJFWSA-N 0 0 384.299 2.870 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)[C@@H]1CCCO1 ZINC000191928645 552543061 /nfs/dbraw/zinc/54/30/61/552543061.db2.gz YVIVLYRUYSDUOF-KWQFWETISA-N 0 0 375.650 2.725 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(Br)c1F ZINC000192153928 552553310 /nfs/dbraw/zinc/55/33/10/552553310.db2.gz LJTVFGYEDWFHSY-NSHDSACASA-N 0 0 383.221 2.591 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192206614 552555861 /nfs/dbraw/zinc/55/58/61/552555861.db2.gz JXYCTKFZZLOSAH-SECBINFHSA-N 0 0 396.690 2.676 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000192663148 552971022 /nfs/dbraw/zinc/97/10/22/552971022.db2.gz QWYKQXWULBISHJ-LLVKDONJSA-N 0 0 380.853 2.559 10 0 GFAERN CCn1c(C)nnc1C[S@](=O)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000194309574 553016769 /nfs/dbraw/zinc/01/67/69/553016769.db2.gz JEBXSAOOWMKXPQ-RUZDIDTESA-N 0 0 399.307 2.943 10 0 GFAERN CSC1(CNC(=O)[C@@H]2CSCN2C(=O)c2c[nH]c3ccccc32)CC1 ZINC000194665108 553026181 /nfs/dbraw/zinc/02/61/81/553026181.db2.gz XIRLHDLFRSWWPP-HNNXBMFYSA-N 0 0 375.519 2.695 10 0 GFAERN CC(C)c1nc2cc(Br)ccn2c1S(=O)(=O)N1CC(F)(F)C1 ZINC000216683990 553052818 /nfs/dbraw/zinc/05/28/18/553052818.db2.gz MAWHMRINECMTLZ-UHFFFAOYSA-N 0 0 394.241 2.860 10 0 GFAERN Cc1csc([C@@H]2CN([C@@H](C(N)=O)c3cccc(Br)c3)CCO2)n1 ZINC000245903240 553098925 /nfs/dbraw/zinc/09/89/25/553098925.db2.gz ULADSCWYQSPURF-UONOGXRCSA-N 0 0 396.310 2.814 10 0 GFAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000245946296 553099677 /nfs/dbraw/zinc/09/96/77/553099677.db2.gz RWNVIQUHJMKRIK-XJKSGUPXSA-N 0 0 378.270 2.886 10 0 GFAERN O[C@@H](COc1cccc(Br)c1)CN1CCO[C@@H](c2nccs2)C1 ZINC000246142150 553103213 /nfs/dbraw/zinc/10/32/13/553103213.db2.gz NYGAQPARPNXXJT-UKRRQHHQSA-N 0 0 399.310 2.719 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@H]1C ZINC000246646559 553111404 /nfs/dbraw/zinc/11/14/04/553111404.db2.gz GAEVYNRXNYBGMM-MNOVXSKESA-N 0 0 375.694 2.630 10 0 GFAERN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247583830 553123820 /nfs/dbraw/zinc/12/38/20/553123820.db2.gz IUFYKLUYWGQBAA-CHWSQXEVSA-N 0 0 383.279 2.918 10 0 GFAERN C[C@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1sccc1Br ZINC000252662271 553150476 /nfs/dbraw/zinc/15/04/76/553150476.db2.gz WZAOPTNSWYYOMY-QWRGUYRKSA-N 0 0 379.345 2.758 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(Cc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000263469389 553187958 /nfs/dbraw/zinc/18/79/58/553187958.db2.gz DHVSXQCNIIFFIQ-LBPRGKRZSA-N 0 0 380.794 2.576 10 0 GFAERN C[C@@]12[C@@H](C3=CC(=O)OC3)CC[C@@]1(O)[C@@H]1CC[C@@H]3C[C@H](O)CC[C@]3(C)[C@H]1C[C@H]2O ZINC000006067799 560204839 /nfs/dbraw/zinc/20/48/39/560204839.db2.gz SHIBSTMRCDJXLN-WQQHBBTGSA-N 0 0 390.520 2.575 10 0 biogenic,in-vitro GFAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000282135003 563398791 /nfs/dbraw/zinc/39/87/91/563398791.db2.gz OMGVRLPHUZROHZ-HQJQHLMTSA-N 0 0 390.075 2.609 10 0 GFAERN C[C@H](CNC1=NS(=O)(=O)c2ccccc21)Oc1ccccc1Br ZINC000301497447 563405226 /nfs/dbraw/zinc/40/52/26/563405226.db2.gz UTSGJKPKNHXSGZ-LLVKDONJSA-N 0 0 395.278 2.955 10 0 GFAERN CC(C)c1nnc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)s1 ZINC000301715474 563411214 /nfs/dbraw/zinc/41/12/14/563411214.db2.gz GOIOSBFMORUAEF-MDWZMJQESA-N 0 0 378.523 2.784 10 0 GFAERN Cc1nnc([C@@H]2CN(c3nnc(Cc4ccc(Cl)cc4)s3)CCO2)[nH]1 ZINC000302386054 563424625 /nfs/dbraw/zinc/42/46/25/563424625.db2.gz CPGWWWLXIYEVID-ZDUSSCGKSA-N 0 0 376.873 2.787 10 0 GFAERN O=S(=O)(NC[C@H]1CCn2ccnc2C1)c1cc(C(F)(F)F)ccc1F ZINC000328627560 563461508 /nfs/dbraw/zinc/46/15/08/563461508.db2.gz MXBDEHWDEVIZNO-JTQLQIEISA-N 0 0 377.363 2.582 10 0 GFAERN C[C@H]1CC[C@@H](O)CN1C(=O)c1ccc(I)c(Cl)c1 ZINC000399210950 563533677 /nfs/dbraw/zinc/53/36/77/563533677.db2.gz QVIGVTFGEHSESY-WCBMZHEXSA-N 0 0 379.625 2.930 10 0 GFAERN C[C@@H]1CC(CNC(=O)c2cc(I)ccc2O)C[C@@H](C)O1 ZINC000436747735 563678410 /nfs/dbraw/zinc/67/84/10/563678410.db2.gz MYRSDJONEOZSBB-NXEZZACHSA-N 0 0 389.233 2.930 10 0 GFAERN Cc1c(I)cc(Br)cc1N1CCOCC1=O ZINC000725246261 565132582 /nfs/dbraw/zinc/13/25/82/565132582.db2.gz SVKHVTLGQYLZGJ-UHFFFAOYSA-N 0 0 396.022 2.725 10 0 GFAERN CC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NC2CC2)c1 ZINC000036218301 570573612 /nfs/dbraw/zinc/57/36/12/570573612.db2.gz MFCALRPEFHQRIK-UXHICEINSA-N 0 0 393.443 2.986 10 0 GFAERN O=C(c1cn2ccccc2n1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000275403501 570692385 /nfs/dbraw/zinc/69/23/85/570692385.db2.gz BESCKIDJVVKKJM-INIZCTEOSA-N 0 0 377.448 2.623 10 0 GFAERN O=C(c1ccccc1)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1 ZINC000065118196 570824062 /nfs/dbraw/zinc/82/40/62/570824062.db2.gz VANJOTRQRQNCFY-UHFFFAOYSA-N 0 0 375.432 2.971 10 0 GFAERN C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@@]2(c2nc(N)cs2)CO1 ZINC000514269788 570950910 /nfs/dbraw/zinc/95/09/10/570950910.db2.gz IWOXPVBSLOJAOE-FNFWKMNBSA-N 0 0 388.518 2.878 10 0 GFAERN CC(C)n1nnnc1CN1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 ZINC000328607162 570995404 /nfs/dbraw/zinc/99/54/04/570995404.db2.gz UYKUNXYXIZIMBN-DYESRHJHSA-N 0 0 393.495 2.782 10 0 GFAERN C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1cccc(Br)c1 ZINC000028047905 654569607 /nfs/dbraw/zinc/56/96/07/654569607.db2.gz GKROYEXUSDIIQJ-QMMMGPOBSA-N 0 0 378.679 2.876 10 0 GFAERN O=C(NCc1cccc(Br)c1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000045363408 654667620 /nfs/dbraw/zinc/66/76/20/654667620.db2.gz BQZNDZHPLUNPKA-INIZCTEOSA-N 0 0 386.253 2.536 10 0 GFAERN CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1O ZINC000122910337 654746631 /nfs/dbraw/zinc/74/66/31/654746631.db2.gz SQNASJUNRDCYPV-LSDHHAIUSA-N 0 0 383.286 2.931 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)c1cc(F)c(F)cc1I ZINC000128641510 654849597 /nfs/dbraw/zinc/84/95/97/654849597.db2.gz RWVWPQSNRZNLOD-AMIZOPFISA-N 0 0 395.187 2.850 10 0 GFAERN O=C(Nc1ccccc1SC(F)(F)F)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130607714 654890450 /nfs/dbraw/zinc/89/04/50/654890450.db2.gz MDUXKKQGQNUIQJ-QWRGUYRKSA-N 0 0 376.400 2.904 10 0 GFAERN CSC[C@H](C)NC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000131720841 654915350 /nfs/dbraw/zinc/91/53/50/654915350.db2.gz RTIJPTBCNPQBJZ-YUMQZZPRSA-N 0 0 375.277 2.846 10 0 GFAERN CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000131925695 654922066 /nfs/dbraw/zinc/92/20/66/654922066.db2.gz UPABAGZSILPSDG-HUUCEWRRSA-N 0 0 383.330 2.855 10 0 GFAERN COc1ncccc1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000070730434 654994381 /nfs/dbraw/zinc/99/43/81/654994381.db2.gz NANHFORMQCBOOD-SNVBAGLBSA-N 0 0 378.226 2.669 10 0 GFAERN Cc1cc(Br)cnc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000071499181 655000060 /nfs/dbraw/zinc/00/00/60/655000060.db2.gz ZVTGJMLTXXHMQC-JTQLQIEISA-N 0 0 388.221 2.776 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)[C@H]3COc4ccc(Br)cc43)C2)cn1 ZINC000134993980 655007309 /nfs/dbraw/zinc/00/73/09/655007309.db2.gz QXGBAWWGHATJLJ-ABAIWWIYSA-N 0 0 376.254 2.675 10 0 GFAERN Cc1ccc(N2CCCN(Cc3cc(O)ccc3Br)CC2)nn1 ZINC000093272135 655017942 /nfs/dbraw/zinc/01/79/42/655017942.db2.gz ZEDUFHIQQGAKLH-UHFFFAOYSA-N 0 0 377.286 2.965 10 0 GFAERN C[C@H](CS(C)(=O)=O)NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000094039179 655026429 /nfs/dbraw/zinc/02/64/29/655026429.db2.gz FUUYHTPZDDKNPY-YGRLFVJLSA-N 0 0 378.416 2.889 10 0 GFAERN COCC[C@H](C)NC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000101991930 655049404 /nfs/dbraw/zinc/04/94/04/655049404.db2.gz NIKXDLNONWPNLD-FZMZJTMJSA-N 0 0 387.274 2.778 10 0 GFAERN COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1ccc(C)cc1Br ZINC000102660554 655057329 /nfs/dbraw/zinc/05/73/29/655057329.db2.gz HNUGUZCLEUATIO-LLVKDONJSA-N 0 0 390.299 2.720 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)c(I)c2)C1 ZINC000102727552 655058950 /nfs/dbraw/zinc/05/89/50/655058950.db2.gz XNTFTBHDZADQFS-GFCCVEGCSA-N 0 0 387.217 2.625 10 0 GFAERN C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1ccccc1Br)N1CCOCC1 ZINC000105081889 655089008 /nfs/dbraw/zinc/08/90/08/655089008.db2.gz QQQUCEVWADKKPH-MELADBBJSA-N 0 0 384.318 2.919 10 0 GFAERN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000106191503 655104685 /nfs/dbraw/zinc/10/46/85/655104685.db2.gz IUFYKLUYWGQBAA-STQMWFEESA-N 0 0 383.279 2.918 10 0 GFAERN C[C@@H]1CC[C@@H](C(=O)Oc2cc([N+](=O)[O-])ccc2I)O1 ZINC000160335920 655120922 /nfs/dbraw/zinc/12/09/22/655120922.db2.gz YJSNJMGVHLXWDS-XCBNKYQSSA-N 0 0 377.134 2.672 10 0 GFAERN CCOc1ccnc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000109652432 655149795 /nfs/dbraw/zinc/14/97/95/655149795.db2.gz WIKZMRCWJIZSGJ-UHFFFAOYSA-N 0 0 391.269 2.600 10 0 GFAERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110883206 655160941 /nfs/dbraw/zinc/16/09/41/655160941.db2.gz AAUQSMRXYBWILG-FZMZJTMJSA-N 0 0 379.869 2.515 10 0 GFAERN S=c1sc(NC2CCCCC2)nn1CN1CC[C@H](N2CCOCC2)C1 ZINC000172961734 655161438 /nfs/dbraw/zinc/16/14/38/655161438.db2.gz DMRYZIWTUBXZJE-HNNXBMFYSA-N 0 0 383.587 2.783 10 0 GFAERN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111077631 655163943 /nfs/dbraw/zinc/16/39/43/655163943.db2.gz NNFSCDLUSLXMSZ-OLZOCXBDSA-N 0 0 384.263 2.885 10 0 GFAERN O=C(CCCc1ccc(Br)s1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111076543 655164003 /nfs/dbraw/zinc/16/40/03/655164003.db2.gz CUDBDCUVAWTKEO-ZDUSSCGKSA-N 0 0 398.326 2.957 10 0 GFAERN O=C(c1cc(Br)ccc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111085875 655164432 /nfs/dbraw/zinc/16/44/32/655164432.db2.gz CVKXPLFDUCEGMA-GFCCVEGCSA-N 0 0 384.661 2.840 10 0 GFAERN CC[C@H](NC(=O)N1CCC[C@@H](NC(C)=O)C1)c1nc(C(F)(F)F)cs1 ZINC000173732145 655178445 /nfs/dbraw/zinc/17/84/45/655178445.db2.gz ZERCWZLAVLJJSS-MNOVXSKESA-N 0 0 378.420 2.923 10 0 GFAERN Ic1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000173752551 655179609 /nfs/dbraw/zinc/17/96/09/655179609.db2.gz FLOIXYSDPGRNSQ-AWEZNQCLSA-N 0 0 382.249 2.795 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(Br)cnc3Cl)CCO2)c1 ZINC000112064164 655181549 /nfs/dbraw/zinc/18/15/49/655181549.db2.gz NKXIVHQIVLJDQV-LBPRGKRZSA-N 0 0 399.676 2.544 10 0 GFAERN C[C@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)C[C@H]1N1CCOCC1 ZINC000173874074 655183671 /nfs/dbraw/zinc/18/36/71/655183671.db2.gz COQBZLKWTQALCX-WMLDXEAASA-N 0 0 378.563 2.958 10 0 GFAERN CC(C)(C)OC(=O)NC[C@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000173928301 655185988 /nfs/dbraw/zinc/18/59/88/655185988.db2.gz XJOGXZKUKNQPCU-CYBMUJFWSA-N 0 0 376.425 2.643 10 0 GFAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[S@](=O)C(C)(C)C ZINC000112303764 655187928 /nfs/dbraw/zinc/18/79/28/655187928.db2.gz NAHOIULIDBFFIO-SGANQWHYSA-N 0 0 386.945 2.758 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000113373538 655208991 /nfs/dbraw/zinc/20/89/91/655208991.db2.gz PBQWTBHKQXKWKB-NEPJUHHUSA-N 0 0 391.331 2.975 10 0 GFAERN C[C@H](NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000175622641 655224071 /nfs/dbraw/zinc/22/40/71/655224071.db2.gz MGEGAKOKFLIXJL-ZQIUZPCESA-N 0 0 396.329 2.872 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)N2CCSC(C)(C)C2)N2CCOCC2)s1 ZINC000175838784 655227889 /nfs/dbraw/zinc/22/78/89/655227889.db2.gz SWLMIUIKKNRPNS-OAHLLOKOSA-N 0 0 383.583 2.967 10 0 GFAERN COc1nc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ncc1Br ZINC000176230452 655240675 /nfs/dbraw/zinc/24/06/75/655240675.db2.gz MAHOLLNUJCTJPA-SECBINFHSA-N 0 0 386.271 2.824 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)COc3ccc(Br)cc3F)C2)cn1 ZINC000116116055 655244191 /nfs/dbraw/zinc/24/41/91/655244191.db2.gz LUOKFGPOCNUNTO-NSHDSACASA-N 0 0 382.233 2.717 10 0 GFAERN CCc1nc(CC(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)cs1 ZINC000176601530 655250770 /nfs/dbraw/zinc/25/07/70/655250770.db2.gz OZOGGKDWHWGXHL-UKRRQHHQSA-N 0 0 379.551 2.888 10 0 GFAERN O=C(N[C@@H]1CCCn2ncnc21)NC1(c2cccc(Br)c2)CC1 ZINC000176602874 655250982 /nfs/dbraw/zinc/25/09/82/655250982.db2.gz QYLLYHHZXTWQMR-CYBMUJFWSA-N 0 0 376.258 2.864 10 0 GFAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1c(Cl)cccc1C(F)(F)F ZINC000176750139 655254825 /nfs/dbraw/zinc/25/48/25/655254825.db2.gz AJTSFVWHCJHBKB-SNVBAGLBSA-N 0 0 380.779 2.764 10 0 GFAERN CC(C)n1ccnc1C[S@@](=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000176846583 655258080 /nfs/dbraw/zinc/25/80/80/655258080.db2.gz WRMYKPMNPFNZHS-QHCPKHFHSA-N 0 0 376.450 2.909 10 0 GFAERN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000117258799 655262463 /nfs/dbraw/zinc/26/24/63/655262463.db2.gz GJIXUAPGTFKDCX-HIFRSBDPSA-N 0 0 377.286 2.741 10 0 GFAERN COCCN1CCN(C(=O)c2ccc(Br)cc2Cl)C[C@@H]1C ZINC000117287192 655263151 /nfs/dbraw/zinc/26/31/51/655263151.db2.gz ILJKNCKLKLHTPM-NSHDSACASA-N 0 0 375.694 2.895 10 0 GFAERN COCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C[C@H]1C ZINC000117284233 655263177 /nfs/dbraw/zinc/26/31/77/655263177.db2.gz RMVHIJVVGFSJEZ-KBRIMQKVSA-N 0 0 381.314 2.732 10 0 GFAERN COCCN1CCN(C(=O)CCCOc2ccccc2Br)C[C@@H]1C ZINC000117284429 655263250 /nfs/dbraw/zinc/26/32/50/655263250.db2.gz VBNGMBNRBONTGS-HNNXBMFYSA-N 0 0 399.329 2.787 10 0 GFAERN CC(C)n1nnnc1C[S@](=O)Cc1csc(CCc2ccccc2)n1 ZINC000176942418 655263252 /nfs/dbraw/zinc/26/32/52/655263252.db2.gz QTHYTLJXXYHATM-RUZDIDTESA-N 0 0 375.523 2.945 10 0 GFAERN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000176954842 655263758 /nfs/dbraw/zinc/26/37/58/655263758.db2.gz IPDGBVMVMBVCQO-VXGBXAGGSA-N 0 0 399.285 2.811 10 0 GFAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000117521662 655265473 /nfs/dbraw/zinc/26/54/73/655265473.db2.gz UXFMEXNQQYFNPV-LBPRGKRZSA-N 0 0 388.295 2.501 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cc(Br)ccc3F)CCO2)[nH]1 ZINC000177092758 655268077 /nfs/dbraw/zinc/26/80/77/655268077.db2.gz HZQVSRLBPFZVPO-LBPRGKRZSA-N 0 0 384.209 2.620 10 0 GFAERN O=S(=O)(Cc1cccc2cccnc21)N1CCO[C@@H](c2nccs2)C1 ZINC000117921223 655269766 /nfs/dbraw/zinc/26/97/66/655269766.db2.gz AALSSWANDPQFDZ-OAHLLOKOSA-N 0 0 375.475 2.595 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)c1ccccc1Br ZINC000177802753 655288737 /nfs/dbraw/zinc/28/87/37/655288737.db2.gz JYIGWIPFBGACDU-LLVKDONJSA-N 0 0 391.269 2.872 10 0 GFAERN CCc1cc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)n(C)n1 ZINC000119943721 655322273 /nfs/dbraw/zinc/32/22/73/655322273.db2.gz BZPIPBXHWNWAAQ-SNVBAGLBSA-N 0 0 379.258 2.561 10 0 GFAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000180764058 655330046 /nfs/dbraw/zinc/33/00/46/655330046.db2.gz AYGRMSOCYLXRHQ-QMTHXVAHSA-N 0 0 390.299 2.540 10 0 GFAERN CCN(CC)S(=O)(=O)CC(=O)O[C@@H](C)c1ccc(Br)cc1F ZINC000181585676 655339091 /nfs/dbraw/zinc/33/90/91/655339091.db2.gz YHLXHXAKDZQMLS-JTQLQIEISA-N 0 0 396.278 2.864 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1cc(Br)ccc1F ZINC000183180498 655349559 /nfs/dbraw/zinc/34/95/59/655349559.db2.gz RRNWNTNQUJJMQV-GFCCVEGCSA-N 0 0 394.262 2.698 10 0 GFAERN O=C(OCC(F)F)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183530076 655352065 /nfs/dbraw/zinc/35/20/65/655352065.db2.gz XJXVBVNAMRMKFZ-ZDUSSCGKSA-N 0 0 387.429 2.672 10 0 GFAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000186378515 655369185 /nfs/dbraw/zinc/36/91/85/655369185.db2.gz IAYUYQBWEXNFME-CYBMUJFWSA-N 0 0 380.809 2.897 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000186626315 655370554 /nfs/dbraw/zinc/37/05/54/655370554.db2.gz LMQCTENFGMCWAX-UHFFFAOYSA-N 0 0 376.400 2.920 10 0 GFAERN Cc1nn(C)c(Cl)c1COC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188529318 655380483 /nfs/dbraw/zinc/38/04/83/655380483.db2.gz QEFHALBNCNSMRK-CMPLNLGQSA-N 0 0 375.828 2.773 10 0 GFAERN Cc1cnn(C[C@@H]2CN(Cn3nc(C(F)(F)F)sc3=S)CCO2)c1 ZINC000188669569 655381455 /nfs/dbraw/zinc/38/14/55/655381455.db2.gz SIBVCYWRPBMFFM-JTQLQIEISA-N 0 0 379.433 2.556 10 0 GFAERN CCc1nnc([C@@H]2CN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)CCO2)o1 ZINC000328632766 655386859 /nfs/dbraw/zinc/38/68/59/655386859.db2.gz SDGSRXPLZDCFBW-RNVIBTMRSA-N 0 0 383.857 2.659 10 0 GFAERN CC(=O)N[C@H](CC(=O)O[C@H](C)[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000246406211 655429961 /nfs/dbraw/zinc/42/99/61/655429961.db2.gz AUUWYLSSRALAKD-DJSGYFEHSA-N 0 0 384.270 2.985 10 0 GFAERN CS(=O)(=O)c1ccc2c(c1)CCCN2S(=O)(=O)/C=C\c1ccccc1 ZINC000255055347 655436734 /nfs/dbraw/zinc/43/67/34/655436734.db2.gz IKDPACOTMMDQGA-QBFSEMIESA-N 0 0 377.487 2.843 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000255073292 655436830 /nfs/dbraw/zinc/43/68/30/655436830.db2.gz IIYIYEOBYOIFAT-IUCKJTJTSA-N 0 0 397.298 2.774 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC000263525977 655452315 /nfs/dbraw/zinc/45/23/15/655452315.db2.gz UBPLLULMFOLMAX-UHFFFAOYSA-N 0 0 377.229 2.708 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cc3sccc3s2)C1 ZINC000702794491 655521855 /nfs/dbraw/zinc/52/18/55/655521855.db2.gz FMLYKVNQIZUNJD-QWRGUYRKSA-N 0 0 382.507 2.920 10 0 GFAERN O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCC[C@H]1Cn1cncn1 ZINC000900676161 663719608 /nfs/dbraw/zinc/71/96/08/663719608.db2.gz ALGZRIFPPTXVIA-AWEZNQCLSA-N 0 0 388.269 2.756 10 0 GFAERN Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc2c(c1)OCO2 ZINC000001325464 206373419 /nfs/dbraw/zinc/37/34/19/206373419.db2.gz UVYVFIWECAYYLY-UHFFFAOYSA-N 0 0 388.474 2.681 10 0 GFAERN COc1ccc(CCNC(=O)[C@@]2(C)CCC(=O)N2Cc2ccccc2)cc1OC ZINC000004893061 206567379 /nfs/dbraw/zinc/56/73/79/206567379.db2.gz QSRYJGNVYFZHGO-HSZRJFAPSA-N 0 0 396.487 2.944 10 0 GFAERN Cc1cccc(CN2CCN(C(=O)c3cn(CC4CCCCC4)nn3)CC2=O)c1 ZINC000012577471 206915413 /nfs/dbraw/zinc/91/54/13/206915413.db2.gz ZJNVYPQEFYEKMF-UHFFFAOYSA-N 0 0 395.507 2.651 10 0 GFAERN Cc1ccc(NC(=O)CN2CCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1 ZINC000015772779 207059672 /nfs/dbraw/zinc/05/96/72/207059672.db2.gz LDEQYLFLLBEXGU-UHFFFAOYSA-N 0 0 393.896 2.650 10 0 GFAERN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCC(C)CC3)C2)c1C ZINC000020533107 207200763 /nfs/dbraw/zinc/20/07/63/207200763.db2.gz QIELYGJNRUOENH-GOSISDBHSA-N 0 0 393.553 2.931 10 0 GFAERN CCc1ccc2nc(-c3cnc(N4CCOCC4)nc3)cc(C(=O)N(C)C)c2c1 ZINC000020994725 207223733 /nfs/dbraw/zinc/22/37/33/207223733.db2.gz WGPQXHMRYUORQC-UHFFFAOYSA-N 0 0 391.475 2.793 10 0 GFAERN Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)o2)cc1Cl ZINC000022423586 207253605 /nfs/dbraw/zinc/25/36/05/207253605.db2.gz MQFJIGUAMGJTAM-UHFFFAOYSA-N 0 0 382.873 2.594 10 0 GFAERN CCOC(=O)[C@H](N)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000038634400 207383457 /nfs/dbraw/zinc/38/34/57/207383457.db2.gz KVMZDRWPSFCGCY-OAHLLOKOSA-N 0 0 378.787 2.539 10 0 GFAERN CCc1[nH]nc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1C ZINC000032519504 207398092 /nfs/dbraw/zinc/39/80/92/207398092.db2.gz PRFYZOOKDVQMKP-IBGZPJMESA-N 0 0 399.514 2.846 10 0 GFAERN COc1ccc(CNC(=O)N2CC[C@]3(C2)c2cc(OC)ccc2N(C)C3=O)cc1 ZINC000065249513 207850228 /nfs/dbraw/zinc/85/02/28/207850228.db2.gz BOMZUOMFWDNSAC-QFIPXVFZSA-N 0 0 395.459 2.534 10 0 GFAERN Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)CN1CCCCC1=O ZINC000015075505 208035508 /nfs/dbraw/zinc/03/55/08/208035508.db2.gz FTDRHCYROZDIMU-INIZCTEOSA-N 0 0 387.528 2.745 10 0 GFAERN CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@@H]2[S@]1=O ZINC000085488137 208099590 /nfs/dbraw/zinc/09/95/90/208099590.db2.gz AZIUCAWYSMPKQK-FJZVYHFZSA-N 0 0 383.469 2.787 10 0 GFAERN Cc1ccccc1CSc1nc(N)cc(NC[C@@H]2CCS(=O)(=O)C2)n1 ZINC000095382623 208172920 /nfs/dbraw/zinc/17/29/20/208172920.db2.gz KLMTVYNUZFUBQI-ZDUSSCGKSA-N 0 0 378.523 2.506 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@@H](CS(=O)(=O)c2ccc(Cl)nn2)C1 ZINC000095085499 208152507 /nfs/dbraw/zinc/15/25/07/208152507.db2.gz ZWYBSKPYHACRNZ-LLVKDONJSA-N 0 0 375.878 2.551 10 0 GFAERN COc1ccc(CS(=O)(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC000095076398 208152733 /nfs/dbraw/zinc/15/27/33/208152733.db2.gz BRFYCDLAKBJXIN-INIZCTEOSA-N 0 0 398.525 2.904 10 0 GFAERN CS(=O)(=O)c1ccc(-c2noc(CN3CCC(C(F)(F)F)CC3)n2)cc1 ZINC000095940713 208238736 /nfs/dbraw/zinc/23/87/36/208238736.db2.gz OYPMSHHTCBXDSC-UHFFFAOYSA-N 0 0 389.399 2.914 10 0 GFAERN Cc1[nH]c(=O)c(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(C)c1C ZINC000253534930 209042350 /nfs/dbraw/zinc/04/23/50/209042350.db2.gz XIXFMHMMRIGYCG-QKLQHJQFSA-N 0 0 382.460 2.889 10 0 GFAERN CCc1cnc(C)nc1N1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072436313 136170255 /nfs/dbraw/zinc/17/02/55/136170255.db2.gz KORVJBFVOGFUBE-GOSISDBHSA-N 0 0 382.512 2.666 10 0 GFAERN NC(=O)c1cccnc1N1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000092046305 136177603 /nfs/dbraw/zinc/17/76/03/136177603.db2.gz POVWTDOQYNOIPZ-VMPITWQZSA-N 0 0 390.487 2.713 10 0 GFAERN O=C([O-])C[NH+]1CCN(c2cc(-c3cccnc3)nc(-c3cccc(F)c3)n2)CC1 ZINC000073685474 527611880 /nfs/dbraw/zinc/61/18/80/527611880.db2.gz AVMJINBJABEMKJ-UHFFFAOYSA-N 0 0 393.422 2.551 10 0 GFAERN COC(=O)[C@@H]1CCCCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000027561616 551123031 /nfs/dbraw/zinc/12/30/31/551123031.db2.gz CAKZQUAFYBTTPR-WFASDCNBSA-N 0 0 383.286 2.654 10 0 GFAERN O=S(=O)(c1ccc(F)cc1Br)N1CCO[C@H]2CCCC[C@@H]21 ZINC000040446284 551134662 /nfs/dbraw/zinc/13/46/62/551134662.db2.gz QCJMDHHCFCATNZ-STQMWFEESA-N 0 0 378.263 2.920 10 0 GFAERN COC(=O)C[C@H](NC(=O)NCc1cccnc1)c1cccc(Br)c1 ZINC000054540467 551169346 /nfs/dbraw/zinc/16/93/46/551169346.db2.gz MEWVHQOOWMVNCZ-HNNXBMFYSA-N 0 0 392.253 2.948 10 0 GFAERN C[C@@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)c1ccc(Cl)c(Cl)c1 ZINC000056129792 551177527 /nfs/dbraw/zinc/17/75/27/551177527.db2.gz XHPKJVJOWYJNOF-SECBINFHSA-N 0 0 379.251 2.973 10 0 GFAERN CN(Cc1csc(Br)c1)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000110277240 551203897 /nfs/dbraw/zinc/20/38/97/551203897.db2.gz ZBKJIRQXPRBWQX-GFCCVEGCSA-N 0 0 383.315 2.898 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cc(Br)ccc1F ZINC000119425989 551216300 /nfs/dbraw/zinc/21/63/00/551216300.db2.gz ODAOUFOSAHVHRO-CYBMUJFWSA-N 0 0 381.249 2.936 10 0 GFAERN COC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000120976657 551224432 /nfs/dbraw/zinc/22/44/32/551224432.db2.gz FOJADOBSLFHPRG-BBRMVZONSA-N 0 0 393.285 2.667 10 0 GFAERN CN(CCS(C)(=O)=O)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000121189226 551229271 /nfs/dbraw/zinc/22/92/71/551229271.db2.gz KLOHYHBAMUBANW-GXFFZTMASA-N 0 0 379.309 2.783 10 0 GFAERN O=C(NCCS(=O)(=O)c1ccccc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000121772494 551242391 /nfs/dbraw/zinc/24/23/91/551242391.db2.gz JOGFRPAJIOULMI-CHWSQXEVSA-N 0 0 378.416 2.881 10 0 GFAERN C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000122749722 551301638 /nfs/dbraw/zinc/30/16/38/551301638.db2.gz BRDBHPFEQRQFEX-CABCVRRESA-N 0 0 381.519 2.603 10 0 GFAERN CN1CCO[C@@H](CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000124875486 551318727 /nfs/dbraw/zinc/31/87/27/551318727.db2.gz NXXNQZRGCLULAY-LBPRGKRZSA-N 0 0 381.192 2.528 10 0 GFAERN O=C(CCc1cccc(Br)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000126886654 551333773 /nfs/dbraw/zinc/33/37/73/551333773.db2.gz TXDFCOZTEDSPGL-HNNXBMFYSA-N 0 0 377.286 2.912 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cc(C)ccc3Cl)CCO2)n1 ZINC000127355293 551340224 /nfs/dbraw/zinc/34/02/24/551340224.db2.gz XKPJFDWAYDLSAU-OAHLLOKOSA-N 0 0 383.901 2.551 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)ccc1Br ZINC000128193792 551347153 /nfs/dbraw/zinc/34/71/53/551347153.db2.gz UWMIJTGTWNVHPQ-LBPRGKRZSA-N 0 0 399.314 2.725 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(Br)c(C)n1 ZINC000128720762 551351354 /nfs/dbraw/zinc/35/13/54/551351354.db2.gz YAQYTWYQXSGKDU-LLVKDONJSA-N 0 0 395.261 2.547 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Br)cc1C ZINC000133424612 551382818 /nfs/dbraw/zinc/38/28/18/551382818.db2.gz OHFYCIXQENNMCE-GFCCVEGCSA-N 0 0 399.314 2.725 10 0 GFAERN CCCCOCCN(C(=O)[C@@H](C)NC(N)=O)c1cccc(Br)c1 ZINC000135647580 551388482 /nfs/dbraw/zinc/38/84/82/551388482.db2.gz GGYRLZHKROLTBR-GFCCVEGCSA-N 0 0 386.290 2.656 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000145468863 551396330 /nfs/dbraw/zinc/39/63/30/551396330.db2.gz FDNOFNJCWUJCFB-NWDGAFQWSA-N 0 0 379.254 2.908 10 0 GFAERN COc1cc(C(=O)N[C@H](C)c2ccc(F)cc2Cl)sc1S(N)(=O)=O ZINC000151587832 551417031 /nfs/dbraw/zinc/41/70/31/551417031.db2.gz BOEHZPGWPRFIAZ-SSDOTTSWSA-N 0 0 392.861 2.688 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@H]1CCCO1 ZINC000151814793 551421358 /nfs/dbraw/zinc/42/13/58/551421358.db2.gz BLYXWLIFZFPWIC-PRHODGIISA-N 0 0 375.650 2.725 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1cc(Br)cn1C ZINC000152186762 551427838 /nfs/dbraw/zinc/42/78/38/551427838.db2.gz DXGBSJFTJKZVPK-ZDUSSCGKSA-N 0 0 395.305 2.618 10 0 GFAERN CCc1nnc([C@@H]2CN(Cc3cc(Br)cc4c3OCC4)CCO2)[nH]1 ZINC000153687493 551458537 /nfs/dbraw/zinc/45/85/37/551458537.db2.gz BGDSHUOKULSJQC-AWEZNQCLSA-N 0 0 393.285 2.638 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(F)c(F)c1 ZINC000153975479 551464679 /nfs/dbraw/zinc/46/46/79/551464679.db2.gz QUULPOYWPWMTEV-VIFPVBQESA-N 0 0 393.408 2.547 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(Br)c(O)c3)CCO2)n1 ZINC000154753491 551482389 /nfs/dbraw/zinc/48/23/89/551482389.db2.gz UAJFLOCXSFTPBZ-AWEZNQCLSA-N 0 0 394.269 2.509 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(F)c(Br)c1 ZINC000155194685 551493879 /nfs/dbraw/zinc/49/38/79/551493879.db2.gz DTUATLIMSLYGHD-ZDUSSCGKSA-N 0 0 397.248 2.520 10 0 GFAERN COCCN1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)C[C@H]1C ZINC000155203875 551494677 /nfs/dbraw/zinc/49/46/77/551494677.db2.gz MVSOLAWPWZHNJO-CYBMUJFWSA-N 0 0 394.313 2.652 10 0 GFAERN CCN(C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)[C@H](C)CS(C)(=O)=O ZINC000155609935 551504204 /nfs/dbraw/zinc/50/42/04/551504204.db2.gz UIWHKBCFDYVACD-OCCSQVGLSA-N 0 0 380.432 2.625 10 0 GFAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000156257106 551518036 /nfs/dbraw/zinc/51/80/36/551518036.db2.gz IKDNXOAWMVWFDV-CYBMUJFWSA-N 0 0 383.901 2.691 10 0 GFAERN O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000156600808 551525648 /nfs/dbraw/zinc/52/56/48/551525648.db2.gz IWXNRDRLRNGMFP-BXKDBHETSA-N 0 0 389.677 2.708 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000157828133 551543302 /nfs/dbraw/zinc/54/33/02/551543302.db2.gz MTAVCZSCMWZLSV-GFCCVEGCSA-N 0 0 387.249 2.725 10 0 GFAERN Cc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)cc1Br ZINC000157991340 551545730 /nfs/dbraw/zinc/54/57/30/551545730.db2.gz DFNQODXLMVGAQR-WMLDXEAASA-N 0 0 381.314 2.859 10 0 GFAERN COC(=O)[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1cccc(Br)c1 ZINC000158984682 551559916 /nfs/dbraw/zinc/55/99/16/551559916.db2.gz ATXFUYCFELXOOZ-ABAIWWIYSA-N 0 0 393.285 2.942 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3cc(Br)ccc3O)C2)no1 ZINC000171242530 551651100 /nfs/dbraw/zinc/65/11/00/551651100.db2.gz NOMZPRAGRDWBOD-NSHDSACASA-N 0 0 380.242 2.941 10 0 GFAERN COc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)cc(OC)c1Br ZINC000171663660 551660097 /nfs/dbraw/zinc/66/00/97/551660097.db2.gz DTEZHKNHUOOCRJ-LBPRGKRZSA-N 0 0 395.257 2.535 10 0 GFAERN COCCN(C[C@@H](O)COc1cccc(Br)c1)CC(F)(F)F ZINC000171827359 551664632 /nfs/dbraw/zinc/66/46/32/551664632.db2.gz OYQOHBAWEXOTOM-GFCCVEGCSA-N 0 0 386.208 2.700 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)NCCOc3cccc(Br)c3)C2)cn1 ZINC000172114452 551670951 /nfs/dbraw/zinc/67/09/51/551670951.db2.gz PDXQAEZNHAARPU-CYBMUJFWSA-N 0 0 393.285 2.761 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000173105615 551696044 /nfs/dbraw/zinc/69/60/44/551696044.db2.gz DQWDLFADNSTOBY-VXGBXAGGSA-N 0 0 375.332 2.529 10 0 GFAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173257721 552081130 /nfs/dbraw/zinc/08/11/30/552081130.db2.gz JZMIJQIYDSUSQJ-CQSZACIVSA-N 0 0 387.571 2.644 10 0 GFAERN C[C@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)C[C@@H]1N1CCOCC1 ZINC000173398791 552084917 /nfs/dbraw/zinc/08/49/17/552084917.db2.gz VSZAKLIHFXLJPJ-SJCJKPOMSA-N 0 0 392.297 2.723 10 0 GFAERN CC[C@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000173825986 552093172 /nfs/dbraw/zinc/09/31/72/552093172.db2.gz BFFZMMJQXZHALC-MNOVXSKESA-N 0 0 380.436 2.633 10 0 GFAERN O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@H]1Cn1ccnc1 ZINC000173836472 552093576 /nfs/dbraw/zinc/09/35/76/552093576.db2.gz OESBNKQHTHJXPI-LBPRGKRZSA-N 0 0 388.262 2.638 10 0 GFAERN O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@H]1Cn1ccnc1 ZINC000173836020 552093656 /nfs/dbraw/zinc/09/36/56/552093656.db2.gz VHIBCBDTUIOWBP-LBPRGKRZSA-N 0 0 388.262 2.638 10 0 GFAERN CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000174084516 552098440 /nfs/dbraw/zinc/09/84/40/552098440.db2.gz ZHTACNNDKPRVIB-DZGCQCFKSA-N 0 0 388.339 2.559 10 0 GFAERN O=C(NCc1cc(F)ccc1Br)N1CCC[C@H](n2cncn2)C1 ZINC000174170793 552101269 /nfs/dbraw/zinc/10/12/69/552101269.db2.gz SIXCMJJMQAXECM-ZDUSSCGKSA-N 0 0 382.237 2.726 10 0 GFAERN CC[C@H]1CN(C(=O)NC[C@@H](c2ccc(C)s2)N2CCOCC2)CCS1 ZINC000175006672 552113531 /nfs/dbraw/zinc/11/35/31/552113531.db2.gz QWZJHQJNMHVWQV-HOTGVXAUSA-N 0 0 383.583 2.967 10 0 GFAERN CNc1snc(C)c1C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176533090 552140999 /nfs/dbraw/zinc/14/09/99/552140999.db2.gz AEOYYIQVLJVEIA-ZDUSSCGKSA-N 0 0 380.539 2.700 10 0 GFAERN COc1ccc(CCC(=O)N[C@H]2CCCn3nc(C)nc32)cc1Br ZINC000177692931 552157074 /nfs/dbraw/zinc/15/70/74/552157074.db2.gz NYKSOOCJJZHZOU-AWEZNQCLSA-N 0 0 393.285 2.942 10 0 GFAERN CC(C)(NC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1Br ZINC000178981966 552181111 /nfs/dbraw/zinc/18/11/11/552181111.db2.gz CSYIZHSDTIOBGV-NSHDSACASA-N 0 0 378.274 2.590 10 0 GFAERN C[C@@H](COCc1ccccc1)NC(=O)c1cnn2cc(Br)cnc12 ZINC000179645599 552198768 /nfs/dbraw/zinc/19/87/68/552198768.db2.gz KQTOOAUMDQIRLF-LBPRGKRZSA-N 0 0 389.253 2.827 10 0 GFAERN C[C@H](COCc1ccccc1)NC(=O)c1cnn2cc(Br)cnc12 ZINC000179645611 552198875 /nfs/dbraw/zinc/19/88/75/552198875.db2.gz KQTOOAUMDQIRLF-GFCCVEGCSA-N 0 0 389.253 2.827 10 0 GFAERN O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000180444885 552226036 /nfs/dbraw/zinc/22/60/36/552226036.db2.gz XUZWRMKGJGPRCT-AYVTZFPOSA-N 0 0 385.354 2.698 10 0 GFAERN COC(=O)C[C@@H](NC(=O)N[C@@H]1CCCOCC1)c1cccc(Br)c1 ZINC000181646626 552264208 /nfs/dbraw/zinc/26/42/08/552264208.db2.gz QBDCBJMSDFMCAV-HUUCEWRRSA-N 0 0 399.285 2.922 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181870503 552269808 /nfs/dbraw/zinc/26/98/08/552269808.db2.gz OTEYRQSVMNLJEJ-CABZTGNLSA-N 0 0 376.787 2.547 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1CO)c1ccnc(Cl)c1I ZINC000181969273 552271850 /nfs/dbraw/zinc/27/18/50/552271850.db2.gz JABRIHVRVWYZPX-WPRPVWTQSA-N 0 0 394.640 2.621 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)CCC(=O)Nc2cccc(Cl)c2)n1C ZINC000182392754 552282502 /nfs/dbraw/zinc/28/25/02/552282502.db2.gz CZFRSYDTXLPSPT-UHFFFAOYSA-N 0 0 384.889 2.536 10 0 GFAERN O=S(=O)(c1ccc(OCC(F)F)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000182634944 552289664 /nfs/dbraw/zinc/28/96/64/552289664.db2.gz VJMATOIPOFLTPD-CYBMUJFWSA-N 0 0 390.433 2.549 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCNc1cccc(Br)c1 ZINC000183232330 552303336 /nfs/dbraw/zinc/30/33/36/552303336.db2.gz GHSNCSIYNANVAY-AWEZNQCLSA-N 0 0 393.289 2.595 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc3ccc(Br)cc3[nH]2)n1 ZINC000183758804 552318690 /nfs/dbraw/zinc/31/86/90/552318690.db2.gz KSFUOBREJYSSKK-AWEZNQCLSA-N 0 0 391.225 2.836 10 0 GFAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2F)cn1 ZINC000184407089 552335344 /nfs/dbraw/zinc/33/53/44/552335344.db2.gz HZFPISOTMRARTQ-ZDUSSCGKSA-N 0 0 388.262 2.848 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000184762546 552343628 /nfs/dbraw/zinc/34/36/28/552343628.db2.gz BVRKOOPQKQGDNA-GOEBONIOSA-N 0 0 383.945 2.975 10 0 GFAERN COc1ccc(Br)cc1-c1nc(CN2C[C@@H](O)C[C@@H]2CO)cs1 ZINC000185141813 552355409 /nfs/dbraw/zinc/35/54/09/552355409.db2.gz CRUGMETYZSKLDO-OLZOCXBDSA-N 0 0 399.310 2.509 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3csc(Br)c3C)CCO2)[nH]1 ZINC000185553224 552365740 /nfs/dbraw/zinc/36/57/40/552365740.db2.gz VUDZFAIAAGZSRO-JTQLQIEISA-N 0 0 385.287 2.713 10 0 GFAERN CC[C@H]1CN(C(=O)c2csc(Br)c2C)CCN1C[C@@H](C)O ZINC000185870153 552372649 /nfs/dbraw/zinc/37/26/49/552372649.db2.gz HPLTXUVGMDTDDP-PWSUYJOCSA-N 0 0 375.332 2.736 10 0 GFAERN C[C@@H](CN1CCCC1=O)N[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186125571 552380141 /nfs/dbraw/zinc/38/01/41/552380141.db2.gz NLESGJBDIRHUCY-SCLBCKFNSA-N 0 0 389.297 2.929 10 0 GFAERN CC(=O)c1ccc(S(C)(=O)=O)c(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000186156489 552380627 /nfs/dbraw/zinc/38/06/27/552380627.db2.gz VDQSTBDZAXPNRI-HOTGVXAUSA-N 0 0 379.503 2.567 10 0 GFAERN CSc1ccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000186269283 552383368 /nfs/dbraw/zinc/38/33/68/552383368.db2.gz PPHZPGBRETUQEJ-BBRMVZONSA-N 0 0 376.503 2.643 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000186653662 552393695 /nfs/dbraw/zinc/39/36/95/552393695.db2.gz DLAHBCINYLVIPX-ZDUSSCGKSA-N 0 0 389.279 2.770 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(OC2COC2)cc1)c1ccc(Cl)s1 ZINC000187309364 552412100 /nfs/dbraw/zinc/41/21/00/552412100.db2.gz LMBNUQGUEINRPB-SNVBAGLBSA-N 0 0 380.853 2.995 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)CCc1ccc(OC)c(Br)c1 ZINC000187621523 552420756 /nfs/dbraw/zinc/42/07/56/552420756.db2.gz JPYBSAALSZLXTK-QGZVFWFLSA-N 0 0 384.270 2.944 10 0 GFAERN Cc1ccc(Br)cc1CNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000187659709 552421520 /nfs/dbraw/zinc/42/15/20/552421520.db2.gz NXUYXIUHBZNWCS-OAHLLOKOSA-N 0 0 378.274 2.896 10 0 GFAERN Cc1cc(S(=O)(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)sc1Cl ZINC000187983834 552430056 /nfs/dbraw/zinc/43/00/56/552430056.db2.gz UMWHOCFYCBIKDT-GFCCVEGCSA-N 0 0 386.930 2.789 10 0 GFAERN Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cc1Br ZINC000188117829 552435538 /nfs/dbraw/zinc/43/55/38/552435538.db2.gz UAXIAXWTZXGLDK-JSGCOSHPSA-N 0 0 383.286 2.672 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)Cc3cccc(Br)c3C)CCO2)[nH]1 ZINC000188399888 552444603 /nfs/dbraw/zinc/44/46/03/552444603.db2.gz HRFDJTXWZKOXKH-AWEZNQCLSA-N 0 0 393.285 2.581 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000189331422 552468734 /nfs/dbraw/zinc/46/87/34/552468734.db2.gz HDJROGMTHFYQAO-WCQYABFASA-N 0 0 384.889 2.513 10 0 GFAERN Cc1cc(Cl)ccc1NC(=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190325738 552492724 /nfs/dbraw/zinc/49/27/24/552492724.db2.gz MTQFIMPVEREMIH-ZFWWWQNUSA-N 0 0 378.881 2.883 10 0 GFAERN COCCN1CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@H]1C ZINC000190523703 552499795 /nfs/dbraw/zinc/49/97/95/552499795.db2.gz CJBQSZPHRHYHSN-CXAGYDPISA-N 0 0 386.323 2.751 10 0 GFAERN CN1CCO[C@@H](CNC(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000190546799 552500865 /nfs/dbraw/zinc/50/08/65/552500865.db2.gz JFADNZNXMPGLLO-KRWDZBQOSA-N 0 0 396.329 2.701 10 0 GFAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000190758137 552507899 /nfs/dbraw/zinc/50/78/99/552507899.db2.gz CRROPJMUKLTVFW-RISCZKNCSA-N 0 0 379.258 2.843 10 0 GFAERN COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000190892668 552512686 /nfs/dbraw/zinc/51/26/86/552512686.db2.gz IWOZQPLUGGYYDR-SWLSCSKDSA-N 0 0 384.270 2.766 10 0 GFAERN COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190892650 552512722 /nfs/dbraw/zinc/51/27/22/552512722.db2.gz IWOZQPLUGGYYDR-IUODEOHRSA-N 0 0 384.270 2.766 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)c2scc(C)c2I)C1 ZINC000190919223 552513465 /nfs/dbraw/zinc/51/34/65/552513465.db2.gz ZWCBPCUVUKJVQH-SECBINFHSA-N 0 0 393.246 2.686 10 0 GFAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000192048704 552547772 /nfs/dbraw/zinc/54/77/72/552547772.db2.gz UZRUDRDLTWZWHW-ZANVPECISA-N 0 0 375.252 2.608 10 0 GFAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000192048719 552547801 /nfs/dbraw/zinc/54/78/01/552547801.db2.gz UZRUDRDLTWZWHW-NOZJJQNGSA-N 0 0 375.252 2.608 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ncc(Br)s3)C2)n1 ZINC000192424750 552563022 /nfs/dbraw/zinc/56/30/22/552563022.db2.gz LMGFHSQZEUIWCG-NSHDSACASA-N 0 0 384.303 2.666 10 0 GFAERN CC(C)Cc1nnc(NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000194137133 553012894 /nfs/dbraw/zinc/01/28/94/553012894.db2.gz LBXOGWHZMIUERV-LBPRGKRZSA-N 0 0 380.495 2.777 10 0 GFAERN COC(=O)C[C@H](NC(=O)C1CCC(O)CC1)c1cccc(Br)c1 ZINC000194164026 553013396 /nfs/dbraw/zinc/01/33/96/553013396.db2.gz BGROTQLNKGNLJH-KWCHVYNWSA-N 0 0 384.270 2.721 10 0 GFAERN CC(C)n1ccnc1C[S@](=O)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000194262906 553015917 /nfs/dbraw/zinc/01/59/17/553015917.db2.gz WKSFCMTTXKIWLV-VWLOTQADSA-N 0 0 383.901 2.561 10 0 GFAERN Cc1cc(SCC(=O)NC[C@@H]2CN(C)CCO2)c(C)cc1Br ZINC000194626452 553025688 /nfs/dbraw/zinc/02/56/88/553025688.db2.gz RRJIHQMNGVQGJH-CYBMUJFWSA-N 0 0 387.343 2.605 10 0 GFAERN CCc1nnc(CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)n1C ZINC000194643651 553026444 /nfs/dbraw/zinc/02/64/44/553026444.db2.gz QTSHOAKRJCCBSB-MRXNPFEDSA-N 0 0 382.251 2.652 10 0 GFAERN COc1ccc(Br)c(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000195257695 553043160 /nfs/dbraw/zinc/04/31/60/553043160.db2.gz BBCCSBHIJNHAHZ-LLVKDONJSA-N 0 0 393.285 2.917 10 0 GFAERN COc1cc(Br)ccc1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195283967 553043841 /nfs/dbraw/zinc/04/38/41/553043841.db2.gz WACSMWFOGABJIJ-GFCCVEGCSA-N 0 0 393.285 2.917 10 0 GFAERN CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000195329335 553045659 /nfs/dbraw/zinc/04/56/59/553045659.db2.gz XRQCRUSGUNDBAT-OAHLLOKOSA-N 0 0 379.507 2.761 10 0 GFAERN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@H]1CNC(=O)C1 ZINC000195357993 553046186 /nfs/dbraw/zinc/04/61/86/553046186.db2.gz XTBOLUMUCMQSFR-SNVBAGLBSA-N 0 0 380.267 2.571 10 0 GFAERN CN(C(=O)CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1)c1nccs1 ZINC000195401790 553047334 /nfs/dbraw/zinc/04/73/34/553047334.db2.gz HKQCQXCEPGMOKN-LBPRGKRZSA-N 0 0 380.539 2.933 10 0 GFAERN O=C(c1cc(Cl)ccc1I)N1CC[C@H](CCO)C1 ZINC000230185701 553064937 /nfs/dbraw/zinc/06/49/37/553064937.db2.gz XYZFWOSHAMHIEO-SECBINFHSA-N 0 0 379.625 2.789 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000245662748 553095012 /nfs/dbraw/zinc/09/50/12/553095012.db2.gz AAHPANIXYABUGN-ZBFHGGJFSA-N 0 0 381.263 2.602 10 0 GFAERN NC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@H](CNc2ccccn2)C1 ZINC000245723795 553095444 /nfs/dbraw/zinc/09/54/44/553095444.db2.gz BCMHORCHXLTLKJ-CXAGYDPISA-N 0 0 389.297 2.805 10 0 GFAERN COCCN1CCN(C(=O)[C@H](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000245764727 553096702 /nfs/dbraw/zinc/09/67/02/553096702.db2.gz QWFPPWVMNPLXPU-CABCVRRESA-N 0 0 383.330 2.807 10 0 GFAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000245837578 553097860 /nfs/dbraw/zinc/09/78/60/553097860.db2.gz ATCDJUQKCOHECS-HUUCEWRRSA-N 0 0 379.258 2.592 10 0 GFAERN CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1ccccc1Br)C(=O)OC ZINC000246074147 553101639 /nfs/dbraw/zinc/10/16/39/553101639.db2.gz FUSBIFMXCXDFGB-OZVIIMIRSA-N 0 0 385.302 2.804 10 0 GFAERN C[C@@H](C(=O)N1CCO[C@@H](C)[C@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000246228559 553104349 /nfs/dbraw/zinc/10/43/49/553104349.db2.gz HNOLUXDQUGCIGF-UTLUCORTSA-N 0 0 385.247 2.614 10 0 GFAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)cc1I ZINC000247109215 553118642 /nfs/dbraw/zinc/11/86/42/553118642.db2.gz IRSAFFHMRHMVRU-PWSUYJOCSA-N 0 0 388.224 2.739 10 0 GFAERN COCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@H]1C ZINC000247175119 553119679 /nfs/dbraw/zinc/11/96/79/553119679.db2.gz RMVHIJVVGFSJEZ-XOKHGSTOSA-N 0 0 381.314 2.732 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)c2cccc(Br)c2Cl)C[C@@H]1C ZINC000248571293 553131371 /nfs/dbraw/zinc/13/13/71/553131371.db2.gz OIANBLZEZXYCJZ-QWRGUYRKSA-N 0 0 375.694 2.630 10 0 GFAERN C[C@H]1CN([C@H](CNC(=O)c2cn3ccnc3s2)c2cccs2)CCO1 ZINC000249134909 553139556 /nfs/dbraw/zinc/13/95/56/553139556.db2.gz WQRCJOUEMQDIRS-QWHCGFSZSA-N 0 0 376.507 2.649 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(Br)c(C)[nH]c1=O ZINC000249587343 553144923 /nfs/dbraw/zinc/14/49/23/553144923.db2.gz UIIFQIKZRYRLLG-GDLCADMTSA-N 0 0 397.269 2.804 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC000262714649 553174757 /nfs/dbraw/zinc/17/47/57/553174757.db2.gz MYGCLXHUJLYOAY-UHFFFAOYSA-N 0 0 397.313 2.780 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000262792906 553176325 /nfs/dbraw/zinc/17/63/25/553176325.db2.gz LBROIIDAVLRGJE-GWMXKSKGSA-N 0 0 389.279 2.814 10 0 GFAERN CNS(=O)(=O)c1ccc(N[C@@H]2CCOc3ccc(Br)cc32)nc1 ZINC000301255996 563397842 /nfs/dbraw/zinc/39/78/42/563397842.db2.gz QZMXZVJXYXWOML-CYBMUJFWSA-N 0 0 398.282 2.688 10 0 GFAERN FC(F)c1nnc2ccc(Oc3ccc(I)nc3)nn21 ZINC000301968973 563417403 /nfs/dbraw/zinc/41/74/03/563417403.db2.gz ZMZFRROWYNVKBG-UHFFFAOYSA-N 0 0 389.103 2.854 10 0 GFAERN COc1cc(Nc2nn3c(nccc3=O)s2)cc(OC)c1Br ZINC000302035207 563418779 /nfs/dbraw/zinc/41/87/79/563418779.db2.gz UGWOVPZFZLYYEG-UHFFFAOYSA-N 0 0 383.227 2.674 10 0 GFAERN Cc1cc(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)sc1Br ZINC000328625913 563461779 /nfs/dbraw/zinc/46/17/79/563461779.db2.gz LCZDHKDELMZCPT-SNVBAGLBSA-N 0 0 390.328 2.556 10 0 GFAERN C[C@@H]1CC[C@H](O)CN1C(=O)c1ccc(I)c(Cl)c1 ZINC000399210949 563533480 /nfs/dbraw/zinc/53/34/80/563533480.db2.gz QVIGVTFGEHSESY-SCZZXKLOSA-N 0 0 379.625 2.930 10 0 GFAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000366859714 563822102 /nfs/dbraw/zinc/82/21/02/563822102.db2.gz VFRINHFMRWDTCG-JMSVASOKSA-N 0 0 378.416 2.542 10 0 GFAERN COC(=O)[C@]1(C)C[C@H](C(=O)N(C)CCc2ccccn2)[C@H](c2ccccc2)N1C ZINC000055359847 570461481 /nfs/dbraw/zinc/46/14/81/570461481.db2.gz PKXRNTYLOCTCOU-JTAQYXEDSA-N 0 0 395.503 2.707 10 0 GFAERN Cc1c2cc(CNC(=O)c3cc(=O)[nH]c(=O)[nH]3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000071749000 570563603 /nfs/dbraw/zinc/56/36/03/570563603.db2.gz JZSISCAINXPWLG-UHFFFAOYSA-N 0 0 392.390 2.589 10 0 GFAERN CSc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)cc1 ZINC000012385940 570650821 /nfs/dbraw/zinc/65/08/21/570650821.db2.gz GDYWRQVWQZFWAJ-KRWDZBQOSA-N 0 0 389.565 2.815 10 0 GFAERN Cc1cc(=O)oc2cc(CN3CCn4nc(C(=O)N5CCCC5)cc4C3)ccc12 ZINC000065394021 570765035 /nfs/dbraw/zinc/76/50/35/570765035.db2.gz LHZCYIJFXQLOJQ-UHFFFAOYSA-N 0 0 392.459 2.550 10 0 GFAERN O=C(N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000065266651 570769574 /nfs/dbraw/zinc/76/95/74/570769574.db2.gz VXAVRYZNLDXOOV-SZMVWBNQSA-N 0 0 393.443 2.883 10 0 GFAERN C[C@@H](C(=O)Nc1ccc(I)cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000025411632 654549621 /nfs/dbraw/zinc/54/96/21/654549621.db2.gz WJILECQLRCQPPE-UTUOFQBUSA-N 0 0 388.249 2.727 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000041181115 654623633 /nfs/dbraw/zinc/62/36/33/654623633.db2.gz NODCTFSZLAUUGA-NSHDSACASA-N 0 0 380.853 2.559 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC000049998289 654717008 /nfs/dbraw/zinc/71/70/08/654717008.db2.gz VYRNTRRBCKSUFC-JTQLQIEISA-N 0 0 391.873 2.922 10 0 GFAERN COc1ccc(C(=O)O[C@H](C)[C@H]2CCOC2)c(I)c1 ZINC000122017012 654728320 /nfs/dbraw/zinc/72/83/20/654728320.db2.gz LDBRUTYVMAQCRX-ZJUUUORDSA-N 0 0 376.190 2.882 10 0 GFAERN CN(C(=O)Cc1cccc(Br)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122018185 654728464 /nfs/dbraw/zinc/72/84/64/654728464.db2.gz JRKPPNVXMSPWMH-INIZCTEOSA-N 0 0 389.297 2.909 10 0 GFAERN Cc1nc(CC(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)c(C)s1 ZINC000123722629 654761894 /nfs/dbraw/zinc/76/18/94/654761894.db2.gz FKDQWRNUAPWNEF-WBMJQRKESA-N 0 0 379.551 2.942 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Br)c2)C[C@@H]1C ZINC000124044917 654769724 /nfs/dbraw/zinc/76/97/24/654769724.db2.gz VNCIEKUZHYCMRW-WDEREUQCSA-N 0 0 375.694 2.630 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(Br)c(C)c3)CCO2)[nH]1 ZINC000124948673 654784556 /nfs/dbraw/zinc/78/45/56/654784556.db2.gz QQYJRIIEEHTWMW-ZDUSSCGKSA-N 0 0 379.258 2.652 10 0 GFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000066982051 654924629 /nfs/dbraw/zinc/92/46/29/654924629.db2.gz NURACSQNXMSBSZ-LLVKDONJSA-N 0 0 379.258 2.734 10 0 GFAERN Cc1cc(NC(=O)CNC(=O)N[C@@H](C)[C@H]2CCCO2)ccc1Br ZINC000131997674 654924679 /nfs/dbraw/zinc/92/46/79/654924679.db2.gz WDVYAEXUVDMTPM-SMDDNHRTSA-N 0 0 384.274 2.563 10 0 GFAERN Cc1c(Br)cccc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000132266894 654931501 /nfs/dbraw/zinc/93/15/01/654931501.db2.gz SFKCAOQCFZVGET-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN CC(C)c1n[nH]c(C(=O)N[C@H](C)c2nnc3n2CCCC3)c1Br ZINC000135233518 655012190 /nfs/dbraw/zinc/01/21/90/655012190.db2.gz JXNHYGABMZATLY-SECBINFHSA-N 0 0 381.278 2.714 10 0 GFAERN O=C(CCc1cccc(Br)c1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135275101 655012859 /nfs/dbraw/zinc/01/28/59/655012859.db2.gz RZOFHPWKAFFAKV-MRXNPFEDSA-N 0 0 389.297 2.957 10 0 GFAERN Cc1cc(N2CCC[C@H](NC(=O)C[C@@H](O)C(C)C)C2=O)ccc1Br ZINC000135961508 655025612 /nfs/dbraw/zinc/02/56/12/655025612.db2.gz GVLCGJUVGQTKEP-JKSUJKDBSA-N 0 0 397.313 2.776 10 0 GFAERN Cc1cc(C)c(-c2nn(CN3CCS(=O)(=O)[C@@H](C)C3)c(=S)o2)c(C)c1 ZINC000151585201 655052630 /nfs/dbraw/zinc/05/26/30/655052630.db2.gz QSBRVMKFWNXAHD-AWEZNQCLSA-N 0 0 381.523 2.874 10 0 GFAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CCC(Cn2cccn2)CC1 ZINC000106182478 655104483 /nfs/dbraw/zinc/10/44/83/655104483.db2.gz WKWKGVRDHWORFZ-INIZCTEOSA-N 0 0 377.286 2.584 10 0 GFAERN O=C(CN1CCC(Cn2cccn2)CC1)Nc1ccccc1Br ZINC000106184235 655104769 /nfs/dbraw/zinc/10/47/69/655104769.db2.gz PBCBJSLZQKSYGU-UHFFFAOYSA-N 0 0 377.286 2.996 10 0 GFAERN C[C@@H](OC(=O)[C@H]1CCN(C)C(=O)C1)c1ccc(I)cc1 ZINC000171107211 655148863 /nfs/dbraw/zinc/14/88/63/655148863.db2.gz WZRDLZDLZIKMHJ-PWSUYJOCSA-N 0 0 387.217 2.764 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2ccc[nH]c2=S)CC1 ZINC000109666779 655150096 /nfs/dbraw/zinc/15/00/96/655150096.db2.gz YRUUWOVCQMJCOK-UHFFFAOYSA-N 0 0 379.917 2.651 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)COc2ccc(Br)cc2)C1 ZINC000109856917 655153419 /nfs/dbraw/zinc/15/34/19/655153419.db2.gz HEFBLZVQDBFSFM-ZDUSSCGKSA-N 0 0 393.285 2.846 10 0 GFAERN O=C(c1cc2c(cccc2Br)[nH]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111077396 655163974 /nfs/dbraw/zinc/16/39/74/655163974.db2.gz UYQUJGJLDUXENV-GFCCVEGCSA-N 0 0 389.253 2.668 10 0 GFAERN CC(C)(C(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccc(Br)cc1 ZINC000111081345 655164188 /nfs/dbraw/zinc/16/41/88/655164188.db2.gz XWNJIQVIILUKFH-MRXNPFEDSA-N 0 0 392.297 2.851 10 0 GFAERN O=C(CCc1ccccc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000111081182 655164266 /nfs/dbraw/zinc/16/42/66/655164266.db2.gz HCNFZNIOCRFZJC-HNNXBMFYSA-N 0 0 378.270 2.506 10 0 GFAERN O=C(N1CCO[C@@H](Cn2cccn2)C1)C1(c2cccc(Br)c2)CC1 ZINC000111085317 655164517 /nfs/dbraw/zinc/16/45/17/655164517.db2.gz SJUNALJCRYZGCJ-MRXNPFEDSA-N 0 0 390.281 2.605 10 0 GFAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)c(Cl)n2C)ncn1 ZINC000173425890 655171409 /nfs/dbraw/zinc/17/14/09/655171409.db2.gz BEMISNGYHABIAQ-JTQLQIEISA-N 0 0 383.283 2.562 10 0 GFAERN O=C(NCCc1cc(Cl)cc(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111842873 655177982 /nfs/dbraw/zinc/17/79/82/655177982.db2.gz XYADDVXIRZCFBN-INIZCTEOSA-N 0 0 383.279 2.843 10 0 GFAERN C[C@H](OC(=O)c1sccc1S(=O)(=O)N(C)C)c1nc2ccccc2[nH]1 ZINC000111949338 655179727 /nfs/dbraw/zinc/17/97/27/655179727.db2.gz AJQWAGCWOCJNLS-JTQLQIEISA-N 0 0 379.463 2.793 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(F)ccc3Br)CCO2)c1 ZINC000112060631 655181341 /nfs/dbraw/zinc/18/13/41/655181341.db2.gz HYKLLMUZMHHFIY-ZDUSSCGKSA-N 0 0 382.233 2.634 10 0 GFAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCO2)c1 ZINC000112093876 655182157 /nfs/dbraw/zinc/18/21/57/655182157.db2.gz IFCUYNNNSSDBHL-GFCCVEGCSA-N 0 0 390.292 2.588 10 0 GFAERN COCCN1CCN(C(=O)Nc2c(F)cc(Br)cc2F)C[C@@H]1C ZINC000174075757 655191564 /nfs/dbraw/zinc/19/15/64/655191564.db2.gz IHTCSYBOWLVQGE-JTQLQIEISA-N 0 0 392.244 2.912 10 0 GFAERN Cc1cc(SCC(=O)N[C@@H]2CCc3ncnn3C2)c(C)cc1Br ZINC000112653977 655194543 /nfs/dbraw/zinc/19/45/43/655194543.db2.gz VRXGFDNHQSHWBB-GFCCVEGCSA-N 0 0 395.326 2.881 10 0 GFAERN CC(C)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccc(Br)cc1 ZINC000112744403 655197055 /nfs/dbraw/zinc/19/70/55/655197055.db2.gz ZKRJJLJSDWCONO-AWEZNQCLSA-N 0 0 392.301 2.632 10 0 GFAERN CS(=O)(=O)Nc1cc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)ccc1Cl ZINC000113887040 655215331 /nfs/dbraw/zinc/21/53/31/655215331.db2.gz OSSMZFNCRFEEMG-HNNXBMFYSA-N 0 0 382.873 2.802 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1ccc(Br)s1 ZINC000175646967 655225060 /nfs/dbraw/zinc/22/50/60/655225060.db2.gz UCBJEQPKEQQYGP-LLVKDONJSA-N 0 0 384.303 2.787 10 0 GFAERN C[C@@H]1CN(C(=O)NCCc2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000175722198 655226032 /nfs/dbraw/zinc/22/60/32/655226032.db2.gz BJHCCMDDIFMLLW-CXAGYDPISA-N 0 0 386.323 2.898 10 0 GFAERN COC(=O)CC1(CS(=O)(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000175727805 655226389 /nfs/dbraw/zinc/22/63/89/655226389.db2.gz HQYTWWLSZGLOSW-LLVKDONJSA-N 0 0 390.299 2.773 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(-c3ccc(Cl)s3)on1)CC2 ZINC000114862863 655229681 /nfs/dbraw/zinc/22/96/81/655229681.db2.gz OEKNUCAGWQOPLP-VIFPVBQESA-N 0 0 377.857 2.955 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCSc1ccc(Cl)cc1)CC2 ZINC000114915750 655230531 /nfs/dbraw/zinc/23/05/31/655230531.db2.gz NDJYSMDUOHSQRZ-CYBMUJFWSA-N 0 0 379.917 2.900 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)CCOc3ccccc3Br)C2)cn1 ZINC000116124185 655244420 /nfs/dbraw/zinc/24/44/20/655244420.db2.gz PUCZZCWKHUFSRO-ZDUSSCGKSA-N 0 0 378.270 2.968 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)n1 ZINC000116899460 655256174 /nfs/dbraw/zinc/25/61/74/655256174.db2.gz RCMCJTQSEUTQDM-HNNXBMFYSA-N 0 0 382.917 2.958 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cc(OC)ccc2Br)CCN1CCOC ZINC000117305629 655263506 /nfs/dbraw/zinc/26/35/06/655263506.db2.gz LQCYLQGYJPDUIF-CYBMUJFWSA-N 0 0 385.302 2.641 10 0 GFAERN Cc1cnn(C[C@H]2CN(Cn3ncc4c3cccc4Br)CCO2)c1 ZINC000117864064 655269045 /nfs/dbraw/zinc/26/90/45/655269045.db2.gz RHGXLZWOYKGKAF-CQSZACIVSA-N 0 0 390.285 2.662 10 0 GFAERN Cc1cnn(CCNC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000118078821 655271632 /nfs/dbraw/zinc/27/16/32/655271632.db2.gz TZQIASNZRPQNLS-INIZCTEOSA-N 0 0 393.285 2.737 10 0 GFAERN Cc1cnn(CCNC(=O)N2CCO[C@H](c3ccccc3Br)C2)c1 ZINC000118080770 655271648 /nfs/dbraw/zinc/27/16/48/655271648.db2.gz ACSMEBFQXCMIDH-INIZCTEOSA-N 0 0 393.285 2.737 10 0 GFAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000177402352 655275463 /nfs/dbraw/zinc/27/54/63/655275463.db2.gz OFIXEDDXQCOYBL-GHMZBOCLSA-N 0 0 382.379 2.585 10 0 GFAERN O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177520880 655279346 /nfs/dbraw/zinc/27/93/46/655279346.db2.gz PAJODLRVGMDDHY-GFCCVEGCSA-N 0 0 386.260 2.989 10 0 GFAERN COC(=O)CN(C[C@@H](O)COc1cccc(Br)c1)C1CCCC1 ZINC000177885412 655290212 /nfs/dbraw/zinc/29/02/12/655290212.db2.gz ZUGROOJUZRRYBI-OAHLLOKOSA-N 0 0 386.286 2.606 10 0 GFAERN C[C@H](NC(=O)c1nc(Br)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000119159305 655291566 /nfs/dbraw/zinc/29/15/66/655291566.db2.gz WMSWDCQSYIZJQJ-QMMMGPOBSA-N 0 0 389.296 2.800 10 0 GFAERN CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119342477 655299626 /nfs/dbraw/zinc/29/96/26/655299626.db2.gz FAADNZIOPPFTAS-SJCJKPOMSA-N 0 0 382.302 2.677 10 0 GFAERN CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CCN1C[C@@H](C)O ZINC000178564626 655304969 /nfs/dbraw/zinc/30/49/69/655304969.db2.gz HRIVQHTXOKROLL-MNOVXSKESA-N 0 0 379.810 2.671 10 0 GFAERN C[C@@H](NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)s1 ZINC000119537111 655306093 /nfs/dbraw/zinc/30/60/93/655306093.db2.gz JFZKKMVGOHTIIF-SNVBAGLBSA-N 0 0 391.946 2.718 10 0 GFAERN C[C@H](NC(=O)NCCc1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000178754260 655309343 /nfs/dbraw/zinc/30/93/43/655309343.db2.gz RFVSLPUVAUSCCJ-LBPRGKRZSA-N 0 0 392.301 2.980 10 0 GFAERN Cc1ccc(OC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000119923853 655321519 /nfs/dbraw/zinc/32/15/19/655321519.db2.gz AUOPPUFEWPIARD-LLVKDONJSA-N 0 0 378.837 2.681 10 0 GFAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000180764021 655330085 /nfs/dbraw/zinc/33/00/85/655330085.db2.gz AYGRMSOCYLXRHQ-YGRLFVJLSA-N 0 0 390.299 2.540 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1cc(Br)c[nH]1)[C@@H](C)C2 ZINC000180818728 655330560 /nfs/dbraw/zinc/33/05/60/655330560.db2.gz NAPYTNFQNVYMDO-ZUZCIYMTSA-N 0 0 391.269 2.963 10 0 GFAERN COCCCOCC(=O)O[C@@H](C)c1ccc(I)cc1 ZINC000181129060 655332632 /nfs/dbraw/zinc/33/26/32/655332632.db2.gz GDSBSHYBIYNSCS-NSHDSACASA-N 0 0 378.206 2.949 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(Br)nc1C ZINC000181335942 655335404 /nfs/dbraw/zinc/33/54/04/655335404.db2.gz YEIPKMQXFVEYTR-LLVKDONJSA-N 0 0 379.262 2.963 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000184732223 655359118 /nfs/dbraw/zinc/35/91/18/655359118.db2.gz WUYGLWQYGBGZEG-LLVKDONJSA-N 0 0 398.257 2.878 10 0 GFAERN CCn1cc(OC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cn1 ZINC000192009131 655401840 /nfs/dbraw/zinc/40/18/40/655401840.db2.gz PMULHOPICSVFML-QMMMGPOBSA-N 0 0 382.203 2.800 10 0 GFAERN C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1CCOC1 ZINC000246476665 655429910 /nfs/dbraw/zinc/42/99/10/655429910.db2.gz HFJYQZOVSSIVRD-XQQFMLRXSA-N 0 0 382.254 2.770 10 0 GFAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCc2cc(Br)ccc2C1 ZINC000249905946 655434820 /nfs/dbraw/zinc/43/48/20/655434820.db2.gz HCLZKVQEWBYQPF-HZPDHXFCSA-N 0 0 375.266 2.716 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc3sccc3s2)C1 ZINC000702794490 655521834 /nfs/dbraw/zinc/52/18/34/655521834.db2.gz FMLYKVNQIZUNJD-MNOVXSKESA-N 0 0 382.507 2.920 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000702795043 655521837 /nfs/dbraw/zinc/52/18/37/655521837.db2.gz KTXRAQNBUBJNFY-HASJVIIQSA-N 0 0 386.901 2.759 10 0 GFAERN C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H]1CO ZINC000708666136 655522349 /nfs/dbraw/zinc/52/23/49/655522349.db2.gz IZWYXMYHFDPRHY-RQJHMYQMSA-N 0 0 383.105 2.974 10 0 GFAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1nscc1I ZINC000906912288 663981443 /nfs/dbraw/zinc/98/14/43/663981443.db2.gz CFIPIVVOGVOWQW-LDYMZIIASA-N 0 0 380.251 2.539 10 0 GFAERN O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)NCCc1ccc(O)cc1 ZINC000008515945 209134532 /nfs/dbraw/zinc/13/45/32/209134532.db2.gz YVUQFBDGLKQYIO-SFQUDFHCSA-N 0 0 382.441 2.787 10 0 GFAERN Cc1ccccc1OCCCN(Cc1cn2c(n1)CCCC2)S(C)(=O)=O ZINC000328618275 206233386 /nfs/dbraw/zinc/23/33/86/206233386.db2.gz DNIKEVYWWYDROE-UHFFFAOYSA-N 0 0 377.510 2.759 10 0 GFAERN CC1(C)c2ccccc2C(c2ccccc2)=NN(CCN2CCOCC2)C1=O ZINC000031597904 206303402 /nfs/dbraw/zinc/30/34/02/206303402.db2.gz WTCMYQSFKDOLMI-UHFFFAOYSA-N 0 0 377.488 2.891 10 0 GFAERN O=c1[nH]c(=O)n(COCCO)c(Sc2ccccc2)c1C=Cc1ccccc1 ZINC000033985650 206305736 /nfs/dbraw/zinc/30/57/36/206305736.db2.gz MARXYUXLVABKCN-QXMHVHEDSA-N 0 0 396.468 2.825 10 0 GFAERN COc1cc([C@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O ZINC000001612493 206387185 /nfs/dbraw/zinc/38/71/85/206387185.db2.gz RFDMNXDDRXVJTM-ZUSMLRIVSA-N 0 0 384.384 2.615 10 0 GFAERN COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@H](NC(C)=O)CC2 ZINC000001620199 206387682 /nfs/dbraw/zinc/38/76/82/206387682.db2.gz MDYALASTPGGXQH-MRXNPFEDSA-N 0 0 399.443 2.872 10 0 GFAERN C[C@H](NC(=O)COc1cc(=O)n(C)c2ccccc12)c1ccc2c(c1)OCCO2 ZINC000003959036 206497679 /nfs/dbraw/zinc/49/76/79/206497679.db2.gz JOHVTQCZBJVADE-AWEZNQCLSA-N 0 0 394.427 2.566 10 0 GFAERN COc1cccc(NS(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)c1 ZINC000006867720 206686556 /nfs/dbraw/zinc/68/65/56/206686556.db2.gz CVSKNKAWMWWBIX-NSHDSACASA-N 0 0 390.486 2.879 10 0 GFAERN CC1(C)CS(=O)(=O)N(c2cc(C(=O)N3CCCCC3)ccc2Cl)C1=O ZINC000012004044 206846872 /nfs/dbraw/zinc/84/68/72/206846872.db2.gz MQEZXPPGSUQUCJ-UHFFFAOYSA-N 0 0 384.885 2.669 10 0 GFAERN O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCCn1cccn1 ZINC000014978180 207036742 /nfs/dbraw/zinc/03/67/42/207036742.db2.gz PTWQKJMWELVLMW-OAQYLSRUSA-N 0 0 376.460 2.635 10 0 GFAERN Cc1nc(CC(=O)N[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cs1 ZINC000015064033 207041830 /nfs/dbraw/zinc/04/18/30/207041830.db2.gz UETPOQYJUOZRLK-OAHLLOKOSA-N 0 0 377.897 2.607 10 0 GFAERN O=C(Cn1cnc2nc3c(cc2c1=O)CCCC3)NCc1ccccc1Cl ZINC000015785986 207062590 /nfs/dbraw/zinc/06/25/90/207062590.db2.gz LOWOYJUWLVZNNS-UHFFFAOYSA-N 0 0 382.851 2.640 10 0 GFAERN CCOC(=O)c1cc(C)nn1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000022348493 207252764 /nfs/dbraw/zinc/25/27/64/207252764.db2.gz NRMSBYVTIMHHRQ-INIZCTEOSA-N 0 0 385.464 2.999 10 0 GFAERN O=C(CCc1nnc(C2CCCCC2)o1)N1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000023542061 207278513 /nfs/dbraw/zinc/27/85/13/207278513.db2.gz MROFKKYTMFNMGL-GOSISDBHSA-N 0 0 396.491 2.620 10 0 GFAERN CN(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000027426586 207326368 /nfs/dbraw/zinc/32/63/68/207326368.db2.gz YOQKQNORJMZTJX-UHFFFAOYSA-N 0 0 398.282 2.920 10 0 GFAERN C[C@H](NC(=O)c1cnc2n(c1=O)CCS2)c1cccc(Br)c1 ZINC000030465691 207371910 /nfs/dbraw/zinc/37/19/10/207371910.db2.gz GVSPLHKYRDTWIJ-VIFPVBQESA-N 0 0 380.267 2.603 10 0 GFAERN O=C(NC1CC1)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000035458631 207491877 /nfs/dbraw/zinc/49/18/77/207491877.db2.gz ZIGXPMBMCLHRBI-HXUWFJFHSA-N 0 0 389.455 2.730 10 0 GFAERN CC(C)(C)OC(=O)N1CC[C@H](CS(=O)(=O)Cc2cnc(Cl)s2)C1 ZINC000095084263 208153504 /nfs/dbraw/zinc/15/35/04/208153504.db2.gz MTJSMNYTEJGJBA-JTQLQIEISA-N 0 0 380.919 2.968 10 0 GFAERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1cccc2c1OCCO2 ZINC000095087303 208155016 /nfs/dbraw/zinc/15/50/16/208155016.db2.gz APUGNMNTTWSNDW-CQSZACIVSA-N 0 0 376.453 2.977 10 0 GFAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1ccc(Cl)nn1 ZINC000095086709 208156308 /nfs/dbraw/zinc/15/63/08/208156308.db2.gz AXIYENVITYVLCU-NSHDSACASA-N 0 0 375.878 2.693 10 0 GFAERN Cc1nc(CN2CCOC[C@]3(C[C@H](CNc4ncccc4F)CO3)C2)cs1 ZINC000096240477 208294120 /nfs/dbraw/zinc/29/41/20/208294120.db2.gz HXXHTSRZZUJUHL-BEFAXECRSA-N 0 0 392.500 2.705 10 0 GFAERN CCOc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)CC23CCCCC3)cc1 ZINC000096309578 208304097 /nfs/dbraw/zinc/30/40/97/208304097.db2.gz JCRSFVWBQGQLOH-KRWDZBQOSA-N 0 0 380.510 2.866 10 0 GFAERN COc1ccc([C@@H](C)NC(=O)c2cn3c(n2)CN(CC(C)C)CC3)cc1OC ZINC000096396418 208314735 /nfs/dbraw/zinc/31/47/35/208314735.db2.gz QLSLBQVOMWSPQY-OAHLLOKOSA-N 0 0 386.496 2.863 10 0 GFAERN COC(=O)[C@@]1([S@](=O)Oc2ccc(C)cc2)CCCN1C(=O)OC(C)(C)C ZINC000504747663 533149396 /nfs/dbraw/zinc/14/93/96/533149396.db2.gz JZXUYJZLKVLAES-HFJWLAOPSA-N 0 0 383.466 2.938 10 0 GFAERN Cc1ccccc1NC(=O)c1cn(-c2cc(N3CCSCC3)ncn2)cn1 ZINC000065239971 136161065 /nfs/dbraw/zinc/16/10/65/136161065.db2.gz UHWPBIXWSUEQMO-UHFFFAOYSA-N 0 0 380.477 2.776 10 0 GFAERN Nc1nc(-c2cc(NC3CCCC3)nc3[nH]ccc32)cc(N2CCOCC2)n1 ZINC000072407109 136169472 /nfs/dbraw/zinc/16/94/72/136169472.db2.gz YUKARLTYXHEVLB-UHFFFAOYSA-N 0 0 379.468 2.793 10 0 GFAERN CCc1cnc(C)nc1N1CCC2(CC(=O)N(Cc3c(C)noc3C)C2)CC1 ZINC000091621297 136176624 /nfs/dbraw/zinc/17/66/24/136176624.db2.gz OIHUTRQUTDOFNM-UHFFFAOYSA-N 0 0 383.496 2.971 10 0 GFAERN C[C@@H](C(=O)c1ccc2c(c1)oc(=O)n2C)N1CCN(c2ccc(F)cc2)CC1 ZINC000095832495 136182502 /nfs/dbraw/zinc/18/25/02/136182502.db2.gz XURYNEOLLZZKGY-AWEZNQCLSA-N 0 0 383.423 2.664 10 0 GFAERN COc1ccc(/C=C/C(=O)NCc2ccnc(N3CCCCC3)n2)cc1OC ZINC000224208739 136206458 /nfs/dbraw/zinc/20/64/58/136206458.db2.gz IOJUHDQTUUZJLT-VQHVLOKHSA-N 0 0 382.464 2.814 10 0 GFAERN CCN1CCCn2nc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc2C1=O ZINC000065225803 222113120 /nfs/dbraw/zinc/11/31/20/222113120.db2.gz IVFKYLJIIFMQHO-UHFFFAOYSA-N 0 0 398.482 2.837 10 0 GFAERN COc1ccc(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C)c1F ZINC000188874469 525048103 /nfs/dbraw/zinc/04/81/03/525048103.db2.gz DVFCDUNCYMRWGB-KBPBESRZSA-N 0 0 385.482 2.601 10 0 GFAERN O=C([O-])[C@H]1CCC[N@H+](Cc2nnn(-c3cccc(F)c3)c2-c2ccncc2)C1 ZINC000057345126 526322993 /nfs/dbraw/zinc/32/29/93/526322993.db2.gz JTDOZSBZZAHRBK-HNNXBMFYSA-N 0 0 381.411 2.765 10 0 GFAERN COc1cc(C)c(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)cc1C ZINC000224166407 536612874 /nfs/dbraw/zinc/61/28/74/536612874.db2.gz KUHOGVMZVXQLJM-UHFFFAOYSA-N 0 0 390.509 2.571 10 0 GFAERN CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)CC1 ZINC000046597750 551151573 /nfs/dbraw/zinc/15/15/73/551151573.db2.gz NOPABWROKICGCZ-QWHCGFSZSA-N 0 0 386.949 2.704 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000113590119 551208053 /nfs/dbraw/zinc/20/80/53/551208053.db2.gz GYGHXNRVVGBTRP-MNOVXSKESA-N 0 0 377.304 2.633 10 0 GFAERN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000116328365 551212359 /nfs/dbraw/zinc/21/23/59/551212359.db2.gz ZHMNYQRZPUQRKV-AWEZNQCLSA-N 0 0 381.519 2.833 10 0 GFAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000120976495 551224119 /nfs/dbraw/zinc/22/41/19/551224119.db2.gz FOJADOBSLFHPRG-XJKSGUPXSA-N 0 0 393.285 2.667 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)CCc2cc(F)ccc2Br)n1 ZINC000121153338 551228150 /nfs/dbraw/zinc/22/81/50/551228150.db2.gz KNOQLFZICXUOSB-AWEZNQCLSA-N 0 0 398.232 2.812 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000121273054 551231036 /nfs/dbraw/zinc/23/10/36/551231036.db2.gz FCMUNICMFVSWDU-SECBINFHSA-N 0 0 392.670 2.712 10 0 GFAERN O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123141991 551303510 /nfs/dbraw/zinc/30/35/10/551303510.db2.gz YPQRWBRLMPILBZ-GTNSWQLSSA-N 0 0 399.260 2.680 10 0 GFAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123386357 551306284 /nfs/dbraw/zinc/30/62/84/551306284.db2.gz AVZURNSQMIMWPI-SJKOYZFVSA-N 0 0 381.270 2.541 10 0 GFAERN COCCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000124866200 551318588 /nfs/dbraw/zinc/31/85/88/551318588.db2.gz VMWASGIYHRQAQS-JTQLQIEISA-N 0 0 385.251 2.652 10 0 GFAERN C[C@H](C(=O)N1C[C@@H](C)OC[C@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000127611592 551342562 /nfs/dbraw/zinc/34/25/62/551342562.db2.gz FFGMOMMSQGTQBJ-OPRDCNLKSA-N 0 0 385.247 2.614 10 0 GFAERN CC(C)(C)n1ncc2c1nc(NCCc1ccc(Br)o1)[nH]c2=O ZINC000132132218 551377312 /nfs/dbraw/zinc/37/73/12/551377312.db2.gz KOWAUEKMNNWJKX-UHFFFAOYSA-N 0 0 380.246 2.885 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCS[C@H](C)C2)n(-c2ccc(Cl)cc2)n1 ZINC000132152975 551377576 /nfs/dbraw/zinc/37/75/76/551377576.db2.gz XNJNOUHAJQCJGO-GFCCVEGCSA-N 0 0 378.885 2.737 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000132767384 551378763 /nfs/dbraw/zinc/37/87/63/551378763.db2.gz WOEFACPCZGKOHX-AWEZNQCLSA-N 0 0 383.267 2.686 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Br)cnc1Cl ZINC000151107061 551407453 /nfs/dbraw/zinc/40/74/53/551407453.db2.gz QQFCUIFWRCWWQJ-JTQLQIEISA-N 0 0 384.665 2.916 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(O)c(Br)c1 ZINC000152232532 551428913 /nfs/dbraw/zinc/42/89/13/551428913.db2.gz ZLAULFQOXYSGJN-LBPRGKRZSA-N 0 0 394.273 2.643 10 0 GFAERN Cc1cnn(CCNC(=O)c2cc(I)cc(C)c2C)c1 ZINC000152602150 551436604 /nfs/dbraw/zinc/43/66/04/551436604.db2.gz VLIMGODPNLTISF-UHFFFAOYSA-N 0 0 383.233 2.843 10 0 GFAERN O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153227329 551448573 /nfs/dbraw/zinc/44/85/73/551448573.db2.gz TVILPYUAJAGFRD-OAHLLOKOSA-N 0 0 379.229 2.944 10 0 GFAERN O=C(N[C@H]1CCCc2cc(F)ccc21)c1nc2ncc(Br)cn2n1 ZINC000153295781 551450055 /nfs/dbraw/zinc/45/00/55/551450055.db2.gz XQQQBQJYDAPTRN-ZDUSSCGKSA-N 0 0 390.216 2.833 10 0 GFAERN C[C@H](NC(=O)N(C)Cc1ccc(Br)o1)c1nnc2n1CCCC2 ZINC000153286493 551450090 /nfs/dbraw/zinc/45/00/90/551450090.db2.gz GFECCHYNADGFEA-JTQLQIEISA-N 0 0 382.262 2.873 10 0 GFAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153372412 551451003 /nfs/dbraw/zinc/45/10/03/551451003.db2.gz MMHGRUKDERLUNQ-NHYWBVRUSA-N 0 0 382.482 2.748 10 0 GFAERN Cc1cnn(C[C@@H]2CN(Cc3cc(Br)cc4c3OCC4)CCO2)c1 ZINC000153876114 551462261 /nfs/dbraw/zinc/46/22/61/551462261.db2.gz WZAZTJIBZPIMOQ-KRWDZBQOSA-N 0 0 392.297 2.790 10 0 GFAERN CCOCCOc1ccc(Br)cc1CN1CCC[C@@H](NC(C)=O)C1 ZINC000153910927 551463054 /nfs/dbraw/zinc/46/30/54/551463054.db2.gz GESIKLNDAIVXAP-QGZVFWFLSA-N 0 0 399.329 2.965 10 0 GFAERN C[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1Br ZINC000153983886 551464609 /nfs/dbraw/zinc/46/46/09/551464609.db2.gz DKOACRLAUVSKHI-GWCFXTLKSA-N 0 0 391.331 2.590 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000155178507 551493509 /nfs/dbraw/zinc/49/35/09/551493509.db2.gz SCQGRNYNOMRIRA-JTQLQIEISA-N 0 0 390.328 2.731 10 0 GFAERN COC(=O)[C@H](NS(=O)(=O)c1cccc(C)c1Br)c1ccccc1 ZINC000155780529 551507771 /nfs/dbraw/zinc/50/77/71/551507771.db2.gz VCBVCADZDOGWNR-OAHLLOKOSA-N 0 0 398.278 2.950 10 0 GFAERN CC(=O)N[C@H](CC(=O)NC[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1 ZINC000155881861 551509930 /nfs/dbraw/zinc/50/99/30/551509930.db2.gz XLMWKWOYSCOIMP-UAGQMJEPSA-N 0 0 397.313 2.684 10 0 GFAERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3cc(Br)c(=O)n(C)c3)C2)c1 ZINC000156174317 551516629 /nfs/dbraw/zinc/51/66/29/551516629.db2.gz CYJMOGQJOJIGCZ-CYBMUJFWSA-N 0 0 394.273 2.522 10 0 GFAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)CNS(=O)(=O)c1cccs1 ZINC000156468712 551523427 /nfs/dbraw/zinc/52/34/27/551523427.db2.gz XCOZTWJHHXTFLE-KRWDZBQOSA-N 0 0 378.519 2.856 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(C)c1Br ZINC000156596906 551525721 /nfs/dbraw/zinc/52/57/21/551525721.db2.gz CMWUYZMOBAEDSE-LLVKDONJSA-N 0 0 399.314 2.725 10 0 GFAERN CC(C)[N@H+]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@@H](C)C1 ZINC000158974429 551559434 /nfs/dbraw/zinc/55/94/34/551559434.db2.gz BHVJGQGSFKWGOP-ZBEGNZNMSA-N 0 0 392.297 2.749 10 0 GFAERN COCCN1CCN(C(=O)CSc2cccc(Br)c2)C[C@H]1C ZINC000163095150 551616045 /nfs/dbraw/zinc/61/60/45/551616045.db2.gz YVAWHDQNXRCDLX-CYBMUJFWSA-N 0 0 387.343 2.720 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1nnc2n1CCCC2 ZINC000165499577 551629674 /nfs/dbraw/zinc/62/96/74/551629674.db2.gz DKHIHPAIHZKWRC-VIFPVBQESA-N 0 0 382.251 2.737 10 0 GFAERN COC[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000167844095 551633589 /nfs/dbraw/zinc/63/35/89/551633589.db2.gz SOCBMNPDTQQZDI-IUODEOHRSA-N 0 0 383.286 2.652 10 0 GFAERN CCOc1cc(C)nc(N2CCN(Cc3cncc(Br)c3)CC2)n1 ZINC000170943531 551643932 /nfs/dbraw/zinc/64/39/32/551643932.db2.gz KBQBEDKRKUHXSD-UHFFFAOYSA-N 0 0 392.301 2.663 10 0 GFAERN C[C@@H](NC(=O)NCCc1ccc(I)s1)[C@H]1CCCO1 ZINC000171101242 551646677 /nfs/dbraw/zinc/64/66/77/551646677.db2.gz AWAMOQNCIKZOEE-MWLCHTKSSA-N 0 0 394.278 2.762 10 0 GFAERN COc1ccc(CN2CCC[C@H](n3cncn3)C2)c(Br)c1OC ZINC000171706011 551661396 /nfs/dbraw/zinc/66/13/96/551661396.db2.gz DAQPPEWXKNFAOU-ZDUSSCGKSA-N 0 0 381.274 2.895 10 0 GFAERN Cc1nc(C)c(CCNC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000171749226 551662206 /nfs/dbraw/zinc/66/22/06/551662206.db2.gz LOYIWBOOHZOSLC-AWEZNQCLSA-N 0 0 379.507 2.520 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)C(C)(C)c3cccc(Br)c3)CCO2)[nH]1 ZINC000173091497 551695476 /nfs/dbraw/zinc/69/54/76/551695476.db2.gz XBXIRGSPIAIAHL-CQSZACIVSA-N 0 0 393.285 2.753 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)CCOc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000173091276 551695598 /nfs/dbraw/zinc/69/55/98/551695598.db2.gz YBIDRIQSKJGXSX-CQSZACIVSA-N 0 0 385.251 2.789 10 0 GFAERN Cc1cccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)c1 ZINC000175222430 552118391 /nfs/dbraw/zinc/11/83/91/552118391.db2.gz ATKBTBCSSSAFRM-WBVHZDCISA-N 0 0 380.535 2.797 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCOc1cccc(Br)c1 ZINC000176545469 552140905 /nfs/dbraw/zinc/14/09/05/552140905.db2.gz DDASXGUIEITJOP-AWEZNQCLSA-N 0 0 379.258 2.769 10 0 GFAERN CN(CCc1ccc(Br)cc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177360401 552153683 /nfs/dbraw/zinc/15/36/83/552153683.db2.gz SVZAZJKQYCMVCN-CQSZACIVSA-N 0 0 378.274 2.760 10 0 GFAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)c1ccc(OC)c(Br)c1)C(C)C ZINC000178424575 552170238 /nfs/dbraw/zinc/17/02/38/552170238.db2.gz WYVBPVGKTVXFST-IINYFYTJSA-N 0 0 386.290 2.589 10 0 GFAERN CNC(=O)[C@H](NC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C(C)C ZINC000178431202 552170379 /nfs/dbraw/zinc/17/03/79/552170379.db2.gz GUQRFEFKKMLVCJ-IUODEOHRSA-N 0 0 388.295 2.927 10 0 GFAERN C[C@H](NC(=O)c1[nH]nc2ccc(Br)cc21)c1nnc2n1CCCC2 ZINC000178621556 552173345 /nfs/dbraw/zinc/17/33/45/552173345.db2.gz JFTSYNMLVMWWIM-VIFPVBQESA-N 0 0 389.257 2.744 10 0 GFAERN COC[C@@H](C)NC(=O)NC(=O)CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179537897 552195680 /nfs/dbraw/zinc/19/56/80/552195680.db2.gz PFDSOGCVYJHHGH-RKDXNWHRSA-N 0 0 380.247 2.644 10 0 GFAERN CCc1nnc(CS(=O)(=O)Cc2csc(Cc3ccccc3)n2)n1C ZINC000180051884 552211028 /nfs/dbraw/zinc/21/10/28/552211028.db2.gz GQEBGOVUUAZUJR-UHFFFAOYSA-N 0 0 376.507 2.540 10 0 GFAERN CCc1nnc(CS(=O)(=O)Cc2ccc(Br)cc2Cl)n1C ZINC000180055058 552211062 /nfs/dbraw/zinc/21/10/62/552211062.db2.gz OCSVKSHCRWDHDU-UHFFFAOYSA-N 0 0 392.706 2.908 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180136674 552214333 /nfs/dbraw/zinc/21/43/33/552214333.db2.gz RQWFQRPRVYJXSM-LBPRGKRZSA-N 0 0 377.819 2.862 10 0 GFAERN C[C@@H](C(=O)N[C@@H]1CCCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000180145338 552215091 /nfs/dbraw/zinc/21/50/91/552215091.db2.gz HOQBKQYBVMEUMZ-VHSXEESVSA-N 0 0 385.247 2.663 10 0 GFAERN C[C@H](NC(=O)NC[C@@H]1COC2(CCOCC2)O1)c1ccccc1Br ZINC000180219885 552218094 /nfs/dbraw/zinc/21/80/94/552218094.db2.gz TXSGRMANFMDXTJ-QWHCGFSZSA-N 0 0 399.285 2.731 10 0 GFAERN CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)OC)c1cccc(Cl)c1Cl)CC2 ZINC000180625243 552231728 /nfs/dbraw/zinc/23/17/28/552231728.db2.gz GDNUIVKPJUATFB-MGPLVRAMSA-N 0 0 383.279 2.966 10 0 GFAERN Cc1ccc2c(c1)[C@@H](NC(=O)CCNS(=O)(=O)c1cccs1)[C@@H](C)C2 ZINC000181228208 552250913 /nfs/dbraw/zinc/25/09/13/552250913.db2.gz KVAQCAAKOCXCLR-UGSOOPFHSA-N 0 0 378.519 2.775 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cnc(Br)c(C)c1 ZINC000182426085 552283661 /nfs/dbraw/zinc/28/36/61/552283661.db2.gz SAHQVCFSYCVKPT-LLVKDONJSA-N 0 0 395.261 2.547 10 0 GFAERN COCCN1CCN(C(=O)CCc2cc(F)ccc2Br)C[C@@H]1C ZINC000182448009 552284166 /nfs/dbraw/zinc/28/41/66/552284166.db2.gz XGPSDRVAIHAJDP-ZDUSSCGKSA-N 0 0 387.293 2.700 10 0 GFAERN COC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)ccc1Br ZINC000182641051 552289483 /nfs/dbraw/zinc/28/94/83/552289483.db2.gz OPBLKLKVSYRUCA-QMTHXVAHSA-N 0 0 385.258 2.908 10 0 GFAERN O=C(N[C@H]1COc2ccccc21)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183339040 552306926 /nfs/dbraw/zinc/30/69/26/552306926.db2.gz LANJXRIDVGVLLY-ZDUSSCGKSA-N 0 0 389.205 2.644 10 0 GFAERN CN(CC(C)(CO)CO)C(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000183526222 552311782 /nfs/dbraw/zinc/31/17/82/552311782.db2.gz CHVBXBZENKHNBQ-ZBFHGGJFSA-N 0 0 390.307 2.910 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)CCOc2cccc(Br)c2)n1 ZINC000183763830 552318794 /nfs/dbraw/zinc/31/87/94/552318794.db2.gz NMOWNWJTMHBJEC-CQSZACIVSA-N 0 0 396.241 2.510 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000184762600 552344058 /nfs/dbraw/zinc/34/40/58/552344058.db2.gz BVRKOOPQKQGDNA-ZBFHGGJFSA-N 0 0 383.945 2.975 10 0 GFAERN Cc1c(Br)scc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000185490646 552364583 /nfs/dbraw/zinc/36/45/83/552364583.db2.gz XJLKRVWHJYKIQC-UHFFFAOYSA-N 0 0 381.299 2.962 10 0 GFAERN C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CCS1 ZINC000185959610 552375770 /nfs/dbraw/zinc/37/57/70/552375770.db2.gz RJRHEUXHJKKXJJ-SECBINFHSA-N 0 0 378.313 2.510 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cc(Br)c(C)nc2OC)C1 ZINC000186442065 552387939 /nfs/dbraw/zinc/38/79/39/552387939.db2.gz YFAXBGRBTUASSL-GFCCVEGCSA-N 0 0 398.301 2.682 10 0 GFAERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186622384 552392428 /nfs/dbraw/zinc/39/24/28/552392428.db2.gz ZXFVRRKXCBRQCV-NSHDSACASA-N 0 0 389.279 2.768 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000186640581 552392974 /nfs/dbraw/zinc/39/29/74/552392974.db2.gz ODADJPCXXZNJMP-UHFFFAOYSA-N 0 0 389.279 2.770 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cccc(C)c1I ZINC000187686084 552422239 /nfs/dbraw/zinc/42/22/39/552422239.db2.gz RLXCLEJHQVOSJO-OAHLLOKOSA-N 0 0 387.217 2.767 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)COc1ccc2ccccc2c1Br ZINC000188073495 552434055 /nfs/dbraw/zinc/43/40/55/552434055.db2.gz RFIMLSMGSTYIBJ-LBPRGKRZSA-N 0 0 391.265 2.718 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000188169411 552437710 /nfs/dbraw/zinc/43/77/10/552437710.db2.gz RJIZRRXHDKHDDZ-UHFFFAOYSA-N 0 0 379.258 2.904 10 0 GFAERN Cc1csc(C(=O)N[C@@H]2CCCC[C@H]2CO)c1I ZINC000188408860 552444362 /nfs/dbraw/zinc/44/43/62/552444362.db2.gz MLYIMQMIOVVAAI-VHSXEESVSA-N 0 0 379.263 2.942 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1cccc(Br)n1)CC2 ZINC000188581946 552448977 /nfs/dbraw/zinc/44/89/77/552448977.db2.gz HIIHBBWIIKPBKB-JTQLQIEISA-N 0 0 379.262 2.696 10 0 GFAERN COc1ccc(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)c(C)c1F ZINC000188874443 552457441 /nfs/dbraw/zinc/45/74/41/552457441.db2.gz DVFCDUNCYMRWGB-KGLIPLIRSA-N 0 0 385.482 2.601 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000188898845 552458018 /nfs/dbraw/zinc/45/80/18/552458018.db2.gz UGCZSCFUCCZAEW-VIFPVBQESA-N 0 0 396.216 2.594 10 0 GFAERN CCn1cc([C@H]2CN(S(=O)(=O)c3c(Cl)cccc3Cl)CCO2)cn1 ZINC000189224888 552466019 /nfs/dbraw/zinc/46/60/19/552466019.db2.gz BNRBZSJJJCYRJW-CQSZACIVSA-N 0 0 390.292 2.972 10 0 GFAERN CC[C@@H](Cc1ccccc1Br)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189489577 552473123 /nfs/dbraw/zinc/47/31/23/552473123.db2.gz JFQHCCKJIRABLB-LBPRGKRZSA-N 0 0 379.298 2.755 10 0 GFAERN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000190167187 552489132 /nfs/dbraw/zinc/48/91/32/552489132.db2.gz MFYKXPYZURHICI-WFASDCNBSA-N 0 0 384.270 2.908 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C2)cn1 ZINC000190487050 552498074 /nfs/dbraw/zinc/49/80/74/552498074.db2.gz JRRBAXWQVKKRQG-SECBINFHSA-N 0 0 385.226 2.821 10 0 GFAERN C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(F)cc(F)c2Br)CCO1 ZINC000190617666 552503372 /nfs/dbraw/zinc/50/33/72/552503372.db2.gz RJAQQDPCZBEJGU-SNVBAGLBSA-N 0 0 378.217 2.522 10 0 GFAERN Cc1cnn(CCNS(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000190751406 552508071 /nfs/dbraw/zinc/50/80/71/552508071.db2.gz BCPADQDWLOUDTO-UHFFFAOYSA-N 0 0 396.669 2.725 10 0 GFAERN O=C(Cc1ccc(I)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000190944140 552513913 /nfs/dbraw/zinc/51/39/13/552513913.db2.gz VCXQGIFSCINMOK-UHFFFAOYSA-N 0 0 395.244 2.963 10 0 GFAERN COC(=O)CN(Cc1nnc(C(C)C)n1C)Cc1cccc(Br)c1 ZINC000191610131 552533193 /nfs/dbraw/zinc/53/31/93/552533193.db2.gz QXMZPBYQNFKYOY-UHFFFAOYSA-N 0 0 395.301 2.876 10 0 GFAERN COC(=O)CN(Cc1cccc(Br)c1)C[C@@H](O)COC(C)(C)C ZINC000191613580 552533590 /nfs/dbraw/zinc/53/35/90/552533590.db2.gz QRYQYNSBXDPUMO-OAHLLOKOSA-N 0 0 388.302 2.600 10 0 GFAERN COCCN1CCN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1C ZINC000192122907 552551853 /nfs/dbraw/zinc/55/18/53/552551853.db2.gz SYOYOHSXKAWYIO-SNVBAGLBSA-N 0 0 377.229 2.520 10 0 GFAERN Cc1cnn(CCNS(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000192209338 552556305 /nfs/dbraw/zinc/55/63/05/552556305.db2.gz ZFPFUDUNJLTRNW-UHFFFAOYSA-N 0 0 378.679 2.586 10 0 GFAERN COCCN1CCN(C(=O)Nc2c(F)cc(F)cc2Br)C[C@@H]1C ZINC000192284409 552558200 /nfs/dbraw/zinc/55/82/00/552558200.db2.gz KXGVNBQENRYXPC-JTQLQIEISA-N 0 0 392.244 2.912 10 0 GFAERN Cn1nc(Br)cc1C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000192369251 552560942 /nfs/dbraw/zinc/56/09/42/552560942.db2.gz MPINNPOIWOKXBW-UHFFFAOYSA-N 0 0 380.246 2.642 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000192663610 552971130 /nfs/dbraw/zinc/97/11/30/552971130.db2.gz WGBNZLCJKKEGMI-LLVKDONJSA-N 0 0 380.853 2.559 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3ncccc3Br)CC2)cs1 ZINC000193173687 552985323 /nfs/dbraw/zinc/98/53/23/552985323.db2.gz FTAWUEDJGBFCPW-UHFFFAOYSA-N 0 0 395.326 2.957 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)C2)cn1 ZINC000193560207 552996759 /nfs/dbraw/zinc/99/67/59/552996759.db2.gz ONEZISLMNUOJJX-BZNIZROVSA-N 0 0 376.254 2.502 10 0 GFAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000193737656 553001672 /nfs/dbraw/zinc/00/16/72/553001672.db2.gz AWGOVZILKOOTGL-CZUORRHYSA-N 0 0 385.291 2.513 10 0 GFAERN CC(C)(C)c1csc([C@@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)n1 ZINC000193956658 553008234 /nfs/dbraw/zinc/00/82/34/553008234.db2.gz XOWXURDGHBZWPM-AWEZNQCLSA-N 0 0 381.523 2.785 10 0 GFAERN C[C@@H](NC(=O)CCN1CCCS1(=O)=O)c1c(Cl)ccc(F)c1Cl ZINC000194374013 553019439 /nfs/dbraw/zinc/01/94/39/553019439.db2.gz QYNKHVPVRYNLJO-SECBINFHSA-N 0 0 383.272 2.735 10 0 GFAERN CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000195329344 553045471 /nfs/dbraw/zinc/04/54/71/553045471.db2.gz XRQCRUSGUNDBAT-HNNXBMFYSA-N 0 0 379.507 2.761 10 0 GFAERN O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000224155173 553057708 /nfs/dbraw/zinc/05/77/08/553057708.db2.gz FDMNQAUNKOPCIX-UHFFFAOYSA-N 0 0 387.292 2.862 10 0 GFAERN O=C(N[C@@H]1CCC[C@@H](O)C1)c1cc(Cl)ccc1I ZINC000225899578 553061043 /nfs/dbraw/zinc/06/10/43/553061043.db2.gz NNMJSGGGTIRALW-NXEZZACHSA-N 0 0 379.625 2.978 10 0 GFAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1CO)c1ccc(Cl)c(Br)c1 ZINC000236505529 553069066 /nfs/dbraw/zinc/06/90/66/553069066.db2.gz XTQHCDAOCAEPND-NOZJJQNGSA-N 0 0 382.707 2.932 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000245691835 553095491 /nfs/dbraw/zinc/09/54/91/553095491.db2.gz APXJDRRDSMZXDN-IIDMSEBBSA-N 0 0 395.341 2.807 10 0 GFAERN O=S(=O)(c1ccc(Br)c(F)c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000246195058 553103815 /nfs/dbraw/zinc/10/38/15/553103815.db2.gz OIDAGIKAPKKYNA-KGLIPLIRSA-N 0 0 378.263 2.920 10 0 GFAERN O=S(=O)(c1ccc(F)c(Br)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000247400874 553121858 /nfs/dbraw/zinc/12/18/58/553121858.db2.gz HTMJMRWNSYCPNA-ZIAGYGMSSA-N 0 0 378.263 2.920 10 0 GFAERN COCCCCS(=O)(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000248463443 553130029 /nfs/dbraw/zinc/13/00/29/553130029.db2.gz AOZWGMGXZWQYEW-CABCVRRESA-N 0 0 381.416 2.570 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000249584444 553144615 /nfs/dbraw/zinc/14/46/15/553144615.db2.gz SMCUBGKXPWJCCK-YVEFUNNKSA-N 0 0 383.286 2.654 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000262685541 553174195 /nfs/dbraw/zinc/17/41/95/553174195.db2.gz CFOSMXQNUONSPQ-VOMCLLRMSA-N 0 0 389.279 2.814 10 0 GFAERN CSc1ccccc1NC(=O)[C@H](C)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263076558 553182037 /nfs/dbraw/zinc/18/20/37/553182037.db2.gz XCWYRTZWXDFDRN-HBNTYKKESA-N 0 0 376.400 2.930 10 0 GFAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000373056082 563326836 /nfs/dbraw/zinc/32/68/36/563326836.db2.gz HBXFVLRPQAFLTJ-NEPJUHHUSA-N 0 0 380.436 2.585 10 0 GFAERN O=C(CNc1ccc(S(=O)(=O)C(F)F)cc1)N1CCc2sccc2C1 ZINC000301190783 563395752 /nfs/dbraw/zinc/39/57/52/563395752.db2.gz ROXQMVWLZKUARQ-UHFFFAOYSA-N 0 0 386.445 2.741 10 0 GFAERN CN(Cc1cc(Br)ccc1F)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000301224660 563397302 /nfs/dbraw/zinc/39/73/02/563397302.db2.gz CTMSICMQBBFQNW-AWEZNQCLSA-N 0 0 395.276 2.976 10 0 GFAERN COC(=O)c1cc(NCc2ncnn2C)c2cc(Br)ccc2n1 ZINC000301414154 563402754 /nfs/dbraw/zinc/40/27/54/563402754.db2.gz BGJFLLDRLHSHOV-UHFFFAOYSA-N 0 0 376.214 2.525 10 0 GFAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000366859716 563822082 /nfs/dbraw/zinc/82/20/82/563822082.db2.gz VFRINHFMRWDTCG-TYNCELHUSA-N 0 0 378.416 2.542 10 0 GFAERN COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@@H]2C[C@@H]4C=C[C@H]2C4)O3)nn1 ZINC000012279849 570280631 /nfs/dbraw/zinc/28/06/31/570280631.db2.gz BPUALDKGPQWLSU-LTCOOKNTSA-N 0 0 377.444 2.784 10 0 GFAERN COC(=O)[C@@H](NC(=O)c1cc(Cc2ccc3c(c2)OCO3)no1)c1ccccc1 ZINC000012281354 570281364 /nfs/dbraw/zinc/28/13/64/570281364.db2.gz IJHMIGBEUPTMEW-IBGZPJMESA-N 0 0 394.383 2.638 10 0 GFAERN O=S(=O)(NCCn1c2ncccc2nc1C(F)(F)F)c1ccc(F)cc1 ZINC000032949616 570420187 /nfs/dbraw/zinc/42/01/87/570420187.db2.gz PJJSDOAVFRSUQB-UHFFFAOYSA-N 0 0 388.346 2.568 10 0 GFAERN Cn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)Cc1cccc(F)c1)C2 ZINC000064566084 570596660 /nfs/dbraw/zinc/59/66/60/570596660.db2.gz QWUAGZOMMMVXMF-UHFFFAOYSA-N 0 0 381.411 2.614 10 0 GFAERN Cc1cc(OCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1Cl ZINC000017852358 654522119 /nfs/dbraw/zinc/52/21/19/654522119.db2.gz JKKBIGKCDQVDMY-GFCCVEGCSA-N 0 0 382.869 2.552 10 0 GFAERN C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1cccc(Cl)c1 ZINC000027950515 654567319 /nfs/dbraw/zinc/56/73/19/654567319.db2.gz LSWGFZAQEFUYMY-LBPRGKRZSA-N 0 0 381.885 2.944 10 0 GFAERN C[C@H](NC(=O)CCSc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000036673945 654612878 /nfs/dbraw/zinc/61/28/78/654612878.db2.gz APEGAWBOPZWTDX-LBPRGKRZSA-N 0 0 382.482 2.833 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)s1 ZINC000041759098 654631183 /nfs/dbraw/zinc/63/11/83/654631183.db2.gz SSSUBAKFLIUYGD-SECBINFHSA-N 0 0 386.882 2.621 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000041819015 654632486 /nfs/dbraw/zinc/63/24/86/654632486.db2.gz GTWVHBPJACVRCA-GFCCVEGCSA-N 0 0 380.297 2.718 10 0 GFAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000047472978 654695678 /nfs/dbraw/zinc/69/56/78/654695678.db2.gz UXTJFZVZXSDRQB-ZDUSSCGKSA-N 0 0 381.885 2.623 10 0 GFAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000122447076 654737335 /nfs/dbraw/zinc/73/73/35/654737335.db2.gz DUEMYFREHXZSPP-UHFFFAOYSA-N 0 0 375.372 2.877 10 0 GFAERN COC(=O)c1cc(I)cc(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000122827584 654743773 /nfs/dbraw/zinc/74/37/73/654743773.db2.gz WJDYKJBOOPNNQL-UFBFGSQYSA-N 0 0 389.189 2.584 10 0 GFAERN Cc1csc([C@@H]2CN(c3ccc(S(=O)(=O)C(C)(C)C)nc3)CCO2)n1 ZINC000123952642 654766821 /nfs/dbraw/zinc/76/68/21/654766821.db2.gz LBZJEFWVQZSAKP-AWEZNQCLSA-N 0 0 381.523 2.997 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(Br)c(C)c3)CCO2)[nH]1 ZINC000124948881 654784523 /nfs/dbraw/zinc/78/45/23/654784523.db2.gz QQYJRIIEEHTWMW-CYBMUJFWSA-N 0 0 379.258 2.652 10 0 GFAERN Cn1nccc1C1CCN(C(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000126222403 654810642 /nfs/dbraw/zinc/81/06/42/654810642.db2.gz SDEOKVHPODQFOK-UHFFFAOYSA-N 0 0 393.285 2.977 10 0 GFAERN CCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000128653739 654850110 /nfs/dbraw/zinc/85/01/10/654850110.db2.gz INNABQPTHWZEPG-GHMZBOCLSA-N 0 0 378.288 2.646 10 0 GFAERN COCCN1C[C@H](C(=O)O[C@@H](C)c2ccc(Br)cc2F)CC1=O ZINC000131114356 654896555 /nfs/dbraw/zinc/89/65/55/654896555.db2.gz FHWBHFFCIAGKPT-WDEREUQCSA-N 0 0 388.233 2.687 10 0 GFAERN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H]1CSCCS1 ZINC000133008795 654951813 /nfs/dbraw/zinc/95/18/13/654951813.db2.gz IANACYMULPEHKW-NHYWBVRUSA-N 0 0 388.505 2.684 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(Br)cc1)CC2 ZINC000133677267 654970570 /nfs/dbraw/zinc/97/05/70/654970570.db2.gz YNPDPHFDGQNMCH-AWEZNQCLSA-N 0 0 377.286 2.838 10 0 GFAERN C[C@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1cccc(Br)c1 ZINC000069921971 654989183 /nfs/dbraw/zinc/98/91/83/654989183.db2.gz JFSLTSNDMTXLQP-QWRGUYRKSA-N 0 0 377.304 2.585 10 0 GFAERN C[C@@H](NC(=O)N[C@@H](C)CCS(C)(=O)=O)c1ccccc1Br ZINC000134598850 654997246 /nfs/dbraw/zinc/99/72/46/654997246.db2.gz GUVHYWHICAFNLZ-WDEREUQCSA-N 0 0 377.304 2.633 10 0 GFAERN O=C(Cc1ccc(Br)s1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135294828 655013409 /nfs/dbraw/zinc/01/34/09/655013409.db2.gz FCXYPFQXIQTYKU-NSHDSACASA-N 0 0 381.299 2.628 10 0 GFAERN C[C@H](O)CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000136099978 655027622 /nfs/dbraw/zinc/02/76/22/655027622.db2.gz TTWLGBIIEDJSIW-LBPRGKRZSA-N 0 0 382.869 2.642 10 0 GFAERN CC(C)C(=O)CNS(=O)(=O)c1cc(Br)ccc1Br ZINC000096869829 655032286 /nfs/dbraw/zinc/03/22/86/655032286.db2.gz PTNUWBGOGFTSFC-UHFFFAOYSA-N 0 0 399.104 2.715 10 0 GFAERN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1O ZINC000136543290 655033231 /nfs/dbraw/zinc/03/32/31/655033231.db2.gz MLLODRWWAJUMNK-GXTWGEPZSA-N 0 0 399.285 2.595 10 0 GFAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000136804040 655035478 /nfs/dbraw/zinc/03/54/78/655035478.db2.gz JGJAGFHYUDARKE-MRVPVSSYSA-N 0 0 376.862 2.987 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000098051237 655039064 /nfs/dbraw/zinc/03/90/64/655039064.db2.gz KZRFRCOXCZIERW-JTQLQIEISA-N 0 0 391.873 2.922 10 0 GFAERN Cn1cc(CCCNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cn1 ZINC000102662004 655057670 /nfs/dbraw/zinc/05/76/70/655057670.db2.gz GJRJFMZIJZMVMH-UHFFFAOYSA-N 0 0 379.816 2.586 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)C(C)C)c1 ZINC000102932555 655064103 /nfs/dbraw/zinc/06/41/03/655064103.db2.gz CFCMITMYZGOYCZ-GFCCVEGCSA-N 0 0 396.962 2.693 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)c1ccc(Cl)s1 ZINC000102962893 655064873 /nfs/dbraw/zinc/06/48/73/655064873.db2.gz FKSDWFIVFZPFBU-QMMMGPOBSA-N 0 0 379.825 2.662 10 0 GFAERN Cc1nc(C[C@H]2CCCN(C(=O)c3ccc(Br)cc3O)C2)no1 ZINC000103203748 655069136 /nfs/dbraw/zinc/06/91/36/655069136.db2.gz NYRDXWWXFNPKBF-LLVKDONJSA-N 0 0 380.242 2.941 10 0 GFAERN Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cnc1Cl ZINC000158581671 655107616 /nfs/dbraw/zinc/10/76/16/655107616.db2.gz NUOHEMGWOJBRTQ-IAQYHMDHSA-N 0 0 388.823 2.818 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000106394061 655107871 /nfs/dbraw/zinc/10/78/71/655107871.db2.gz WLKUUTRESZWNST-INIZCTEOSA-N 0 0 383.330 2.642 10 0 GFAERN O=C(CCc1cc(Br)cs1)N1CCCN(c2cccnn2)CC1 ZINC000107250599 655119084 /nfs/dbraw/zinc/11/90/84/655119084.db2.gz AGMRMXVLQXNPIZ-UHFFFAOYSA-N 0 0 395.326 2.972 10 0 GFAERN C[C@@H](CNC(=O)CCCCOc1ccc(Br)cc1)N1CCOCC1 ZINC000108774839 655137706 /nfs/dbraw/zinc/13/77/06/655137706.db2.gz SVHQRUVIYPFUFB-HNNXBMFYSA-N 0 0 399.329 2.835 10 0 GFAERN O=C(c1ccc(Br)c(F)c1)N1CCCN(c2cccnn2)CC1 ZINC000109630797 655149379 /nfs/dbraw/zinc/14/93/79/655149379.db2.gz YTKGOOAZOPDSNJ-UHFFFAOYSA-N 0 0 379.233 2.731 10 0 GFAERN S=c1sc(NC2CCCCC2)nn1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172961742 655161564 /nfs/dbraw/zinc/16/15/64/655161564.db2.gz DMRYZIWTUBXZJE-OAHLLOKOSA-N 0 0 383.587 2.783 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3C)CCO2)n1 ZINC000111344990 655169326 /nfs/dbraw/zinc/16/93/26/655169326.db2.gz HBVGBIUYCDHUPZ-MRXNPFEDSA-N 0 0 383.901 2.551 10 0 GFAERN Cc1nnc([C@@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000173715445 655177331 /nfs/dbraw/zinc/17/73/31/655177331.db2.gz NGKJMKZRGZRJBP-ZDUSSCGKSA-N 0 0 384.267 2.822 10 0 GFAERN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@H]1Cn1ccnc1 ZINC000173733043 655178381 /nfs/dbraw/zinc/17/83/81/655178381.db2.gz CZNMMQGVHGTYMB-LBPRGKRZSA-N 0 0 375.372 2.635 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000112036070 655181035 /nfs/dbraw/zinc/18/10/35/655181035.db2.gz BQTDLWNJUJWWHZ-LBPRGKRZSA-N 0 0 393.285 2.914 10 0 GFAERN O[C@H](CN1CCN(Cn2nc(C3CC3)sc2=S)CC1)c1ccccc1 ZINC000173896810 655184164 /nfs/dbraw/zinc/18/41/64/655184164.db2.gz XOEQRDQDXOPSMC-MRXNPFEDSA-N 0 0 376.551 2.860 10 0 GFAERN O=C(N[C@@H]1CCc2ncnn2C1)NC1(c2ccc(Br)cc2)CCC1 ZINC000112748284 655197074 /nfs/dbraw/zinc/19/70/74/655197074.db2.gz BXUGQAMEAUHUGE-CQSZACIVSA-N 0 0 390.285 2.734 10 0 GFAERN CS(=O)(=O)Cc1nc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)cs1 ZINC000174375582 655200512 /nfs/dbraw/zinc/20/05/12/655200512.db2.gz VSCGEZRBRXWOEM-SJORKVTESA-N 0 0 380.535 2.776 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O)c1cccs1 ZINC000174581724 655204109 /nfs/dbraw/zinc/20/41/09/655204109.db2.gz QIWWQLGUAXUSCM-VIFPVBQESA-N 0 0 386.882 2.621 10 0 GFAERN Cc1cnn([C@H]2CCCN(C(=O)c3cc(Br)cnc3N(C)C)C2)c1 ZINC000113174030 655204704 /nfs/dbraw/zinc/20/47/04/655204704.db2.gz AOMBMKLVARMXLS-AWEZNQCLSA-N 0 0 392.301 2.892 10 0 GFAERN CCc1csc([C@H]2CCCN(C(=O)CNC(=O)OCC(F)(F)F)C2)n1 ZINC000113204551 655205171 /nfs/dbraw/zinc/20/51/71/655205171.db2.gz FQYWFCAESKTANS-JTQLQIEISA-N 0 0 379.404 2.700 10 0 GFAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3Cl)C2)n1 ZINC000174605733 655205219 /nfs/dbraw/zinc/20/52/19/655205219.db2.gz LTIHSJDTJUJGKZ-NSHDSACASA-N 0 0 399.925 2.772 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3Cl)C2)n1 ZINC000174605726 655205276 /nfs/dbraw/zinc/20/52/76/655205276.db2.gz LTIHSJDTJUJGKZ-LLVKDONJSA-N 0 0 399.925 2.772 10 0 GFAERN CC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(C)s2)N2CCOCC2)CCS1 ZINC000175006653 655212484 /nfs/dbraw/zinc/21/24/84/655212484.db2.gz QWZJHQJNMHVWQV-CVEARBPZSA-N 0 0 383.583 2.967 10 0 GFAERN CNS(=O)(=O)c1ccc(C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000175488627 655221527 /nfs/dbraw/zinc/22/15/27/655221527.db2.gz BKWTUPFSBRGQPC-NSHDSACASA-N 0 0 394.396 2.820 10 0 GFAERN Cn1cc([C@H]2CCCN2CCS(=O)(=O)c2cccc(Br)c2)cn1 ZINC000175638095 655224478 /nfs/dbraw/zinc/22/44/78/655224478.db2.gz OHNWZFWCHSYIKP-MRXNPFEDSA-N 0 0 398.326 2.793 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1c(-c2cccs2)n[nH]c1=S ZINC000175745515 655226577 /nfs/dbraw/zinc/22/65/77/655226577.db2.gz MZYOPQPZQNKTQY-JTQLQIEISA-N 0 0 382.511 2.858 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)CCOc1cccc(Br)c1)CC2 ZINC000114866261 655229992 /nfs/dbraw/zinc/22/99/92/655229992.db2.gz LFHWFYIYULJIMK-CYBMUJFWSA-N 0 0 393.285 2.503 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(F)cc1Br)CC2 ZINC000114902352 655230290 /nfs/dbraw/zinc/23/02/90/655230290.db2.gz NTQUCLUYCGIXBS-SNVBAGLBSA-N 0 0 382.237 2.879 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1ccc(Br)s1)CC2 ZINC000114919630 655230489 /nfs/dbraw/zinc/23/04/89/655230489.db2.gz NMBBIDSOWYSIGN-JTQLQIEISA-N 0 0 398.330 2.521 10 0 GFAERN Cn1cc([C@@H]2[C@H](C(=O)Oc3cccc(Br)c3)CCC(=O)N2C)cn1 ZINC000115201994 655233258 /nfs/dbraw/zinc/23/32/58/655233258.db2.gz FOILGLLTXGUVDF-GDBMZVCRSA-N 0 0 392.253 2.698 10 0 GFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(I)c[nH]1 ZINC000115372446 655236308 /nfs/dbraw/zinc/23/63/08/655236308.db2.gz KYKOFFLTKVOZGF-CYBMUJFWSA-N 0 0 398.248 2.947 10 0 GFAERN C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116119949 655244168 /nfs/dbraw/zinc/24/41/68/655244168.db2.gz MECBAWFFKSONMU-QWHCGFSZSA-N 0 0 378.270 2.966 10 0 GFAERN C[C@H]1CN([C@@H](CNC(=O)c2cc(N)nc(Cl)c2)c2cccs2)CCO1 ZINC000176598962 655250816 /nfs/dbraw/zinc/25/08/16/655250816.db2.gz NMBLGOQCRXTQQB-AAEUAGOBSA-N 0 0 380.901 2.571 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cncc(Br)c3)C2)n1 ZINC000116773551 655253209 /nfs/dbraw/zinc/25/32/09/655253209.db2.gz HEXKWWULKATUTB-ZDUSSCGKSA-N 0 0 378.274 2.605 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)CCC(C)(C)C)CC1 ZINC000116899410 655256198 /nfs/dbraw/zinc/25/61/98/655256198.db2.gz UZGLOZXFYLBGBT-UHFFFAOYSA-N 0 0 390.981 2.520 10 0 GFAERN CCn1ccnc1CS(=O)(=O)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000176907305 655260465 /nfs/dbraw/zinc/26/04/65/655260465.db2.gz PFCHZADIOZCHGB-UHFFFAOYSA-N 0 0 385.873 2.509 10 0 GFAERN CCn1ccnc1CS(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000176907250 655260578 /nfs/dbraw/zinc/26/05/78/655260578.db2.gz BEGGCSDIFGGNGX-OLZOCXBDSA-N 0 0 383.901 2.737 10 0 GFAERN COCCN1CCN(C(=O)c2[nH]c3ccccc3c2Br)C[C@@H]1C ZINC000117289094 655263143 /nfs/dbraw/zinc/26/31/43/655263143.db2.gz GTZCCSKAFFVQBN-LBPRGKRZSA-N 0 0 380.286 2.723 10 0 GFAERN C[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)s1 ZINC000177047453 655266222 /nfs/dbraw/zinc/26/62/22/655266222.db2.gz PRKRZTMTIUZBPN-XYZCENFISA-N 0 0 377.853 2.947 10 0 GFAERN Cc1cnn(CCNC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)c1 ZINC000117818337 655268362 /nfs/dbraw/zinc/26/83/62/655268362.db2.gz INBYYTWGXWMJEI-UHFFFAOYSA-N 0 0 379.251 2.817 10 0 GFAERN Cc1cnn(CCNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)c1 ZINC000117817389 655268366 /nfs/dbraw/zinc/26/83/66/655268366.db2.gz GKBQPMIMSMHEPZ-QHCPKHFHSA-N 0 0 398.326 2.658 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000118480028 655276642 /nfs/dbraw/zinc/27/66/42/655276642.db2.gz BPPGSQYFNAVOPF-GXFFZTMASA-N 0 0 389.315 2.709 10 0 GFAERN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177554577 655281169 /nfs/dbraw/zinc/28/11/69/655281169.db2.gz ZUBXODBZJXPVEX-BXKDBHETSA-N 0 0 378.778 2.965 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)c1ccccc1Br ZINC000177802739 655288840 /nfs/dbraw/zinc/28/88/40/655288840.db2.gz JYIGWIPFBGACDU-NSHDSACASA-N 0 0 391.269 2.872 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cnc(C2CC2)nc1)c1ccccc1Br ZINC000119244023 655294847 /nfs/dbraw/zinc/29/48/47/655294847.db2.gz QXBRKRAOFJJLJK-SNVBAGLBSA-N 0 0 389.253 2.932 10 0 GFAERN COC(=O)C1(N(C)C[C@@H](O)COc2cccc(Br)c2)CCCC1 ZINC000178397063 655302764 /nfs/dbraw/zinc/30/27/64/655302764.db2.gz QDJDCJCGMGAGOY-CQSZACIVSA-N 0 0 386.286 2.606 10 0 GFAERN O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119460173 655304593 /nfs/dbraw/zinc/30/45/93/655304593.db2.gz QNTMJVMAPSADQC-UHFFFAOYSA-N 0 0 395.232 2.656 10 0 GFAERN COc1c(CNCc2nnc(-c3ccc(Br)cc3)[nH]2)c(C)nn1C ZINC000119728716 655312761 /nfs/dbraw/zinc/31/27/61/655312761.db2.gz XBNBVHPIDSCTDX-UHFFFAOYSA-N 0 0 391.273 2.575 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000119780462 655315040 /nfs/dbraw/zinc/31/50/40/655315040.db2.gz MGZFRUOZBOTLCO-AWEZNQCLSA-N 0 0 379.507 2.953 10 0 GFAERN CN(Cc1ncc(Cl)n1C)C[C@@H](O)COc1cccc(Br)c1 ZINC000179878781 655318999 /nfs/dbraw/zinc/31/89/99/655318999.db2.gz YDVRFMJMSRZHIJ-GFCCVEGCSA-N 0 0 388.693 2.708 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3cccnc3Br)CCO2)n1 ZINC000119989685 655324224 /nfs/dbraw/zinc/32/42/24/655324224.db2.gz MLCDYBHZZJIUTC-CYBMUJFWSA-N 0 0 394.273 2.590 10 0 GFAERN O=Cc1ccc(OCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(Br)c1 ZINC000120067203 655326540 /nfs/dbraw/zinc/32/65/40/655326540.db2.gz BWWOMBOWKMTVCC-RDTXWAMCSA-N 0 0 396.281 2.794 10 0 GFAERN O=Cc1ccc(OCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Br)c1 ZINC000120067338 655326551 /nfs/dbraw/zinc/32/65/51/655326551.db2.gz BWWOMBOWKMTVCC-KDOFPFPSSA-N 0 0 396.281 2.794 10 0 GFAERN C[C@@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000186088596 655367731 /nfs/dbraw/zinc/36/77/31/655367731.db2.gz SDVLVZCYHAZKMS-RISCZKNCSA-N 0 0 390.299 2.867 10 0 GFAERN O=S(=O)(/C=C/c1ccccc1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000190382915 655391593 /nfs/dbraw/zinc/39/15/93/655391593.db2.gz YVZWROSZEXISDE-GPZRYRNASA-N 0 0 375.471 2.804 10 0 GFAERN Cn1cc([C@H]2CCN(Cn3c(=O)oc4cc(F)c(Br)cc43)C2)cn1 ZINC000192159722 655403076 /nfs/dbraw/zinc/40/30/76/655403076.db2.gz QHJFYWMWYHQPSN-JTQLQIEISA-N 0 0 395.232 2.677 10 0 GFAERN Cc1ccc(Cl)cc1NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000192734607 655406732 /nfs/dbraw/zinc/40/67/32/655406732.db2.gz HTCRMYQGGCVIBN-NSHDSACASA-N 0 0 377.853 2.714 10 0 GFAERN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c(Cl)n1 ZINC000193949318 655413356 /nfs/dbraw/zinc/41/33/56/655413356.db2.gz ARYXMEHENOKOOZ-BXUZGUMPSA-N 0 0 388.823 2.818 10 0 GFAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1nc(Br)ccc1O ZINC000194573458 655416301 /nfs/dbraw/zinc/41/63/01/655416301.db2.gz DNUDHUFKJHSBCN-SECBINFHSA-N 0 0 379.214 2.698 10 0 GFAERN COc1cc(C(=O)N2CCN(C(C)=O)CC2)cc2oc(Br)cc21 ZINC000223644985 655422277 /nfs/dbraw/zinc/42/22/77/655422277.db2.gz LWXRIHYMTHKIES-UHFFFAOYSA-N 0 0 381.226 2.508 10 0 GFAERN CC(=O)N[C@H](CC(=O)O[C@@H](C)[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000246406246 655429883 /nfs/dbraw/zinc/42/98/83/655429883.db2.gz AUUWYLSSRALAKD-SGIREYDYSA-N 0 0 384.270 2.985 10 0 GFAERN Cc1c(Cl)cc(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)cc1Cl ZINC000263490346 655452187 /nfs/dbraw/zinc/45/21/87/655452187.db2.gz OLBGMQXMXZDMKR-GFCCVEGCSA-N 0 0 390.267 2.551 10 0 GFAERN COC(=O)c1cc(Cl)cc(Cl)c1N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000263552398 655452685 /nfs/dbraw/zinc/45/26/85/655452685.db2.gz LUDJKWVSGPODEZ-UHFFFAOYSA-N 0 0 375.252 2.765 10 0 GFAERN CCc1nnc([C@@H]2CN(S(=O)(=O)/C=C\c3ccccc3Cl)CCO2)o1 ZINC000886048353 663102749 /nfs/dbraw/zinc/10/27/49/663102749.db2.gz ZGHAFCYDUWBAEV-YHAOYDPOSA-N 0 0 383.857 2.659 10 0 GFAERN Cc1nc(CN2CCC(C(=O)N3CCCC3(C)C)([S@@](C)=O)CC2)cs1 ZINC000886088471 663103086 /nfs/dbraw/zinc/10/30/86/663103086.db2.gz HIWQHYMCMLZSTJ-RUZDIDTESA-N 0 0 383.583 2.566 10 0 GFAERN C[C@@H]1C[C@@H](CNC(=O)c2nscc2I)C[C@H](C)O1 ZINC000907972707 664074845 /nfs/dbraw/zinc/07/48/45/664074845.db2.gz CKUJKCNKZZHOOU-AYMMMOKOSA-N 0 0 380.251 2.681 10 0 GFAERN CCCCC(=O)N(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000005234879 209122228 /nfs/dbraw/zinc/12/22/28/209122228.db2.gz GDQHGMPCVZKXKA-UHFFFAOYSA-N 0 0 392.433 2.632 10 0 GFAERN COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc(C)nc(C)n3)C2)cc1OC ZINC000011773603 206226119 /nfs/dbraw/zinc/22/61/19/206226119.db2.gz DUMAMNSFLZSVHE-INIZCTEOSA-N 0 0 383.448 2.846 10 0 GFAERN COc1cc(CC[C@H](O)CC(=O)CC[C@@H]2CC[C@H](O)[C@@H](OC)C2)ccc1O ZINC000247942135 206281633 /nfs/dbraw/zinc/28/16/33/206281633.db2.gz XMNDMZNXKHJPKM-DFPKUZHUSA-N 0 0 380.481 2.610 10 0 GFAERN Cc1cc(F)ccc1-n1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21 ZINC000005930755 206292780 /nfs/dbraw/zinc/29/27/80/206292780.db2.gz NFNPWHFEELPBON-UHFFFAOYSA-N 0 0 399.397 2.685 10 0 GFAERN NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000090558360 206299266 /nfs/dbraw/zinc/29/92/66/206299266.db2.gz SCQNXXLGAVKHBF-CYBMUJFWSA-N 0 0 378.425 2.504 10 0 GFAERN CCOC(=O)c1ccc(-n2ncc(N3C[C@@H](C)O[C@@H](C)C3)c(Cl)c2=O)cc1 ZINC000004289201 206511701 /nfs/dbraw/zinc/51/17/01/206511701.db2.gz IIUBTURNEUNFCD-BETUJISGSA-N 0 0 391.855 2.676 10 0 GFAERN Cc1ccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000006892794 206690809 /nfs/dbraw/zinc/69/08/09/206690809.db2.gz HOIOJCVRRCUBQE-ZDUSSCGKSA-N 0 0 376.503 2.949 10 0 GFAERN O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000012199615 206868571 /nfs/dbraw/zinc/86/85/71/206868571.db2.gz GGILBANQRSNLCP-GOSISDBHSA-N 0 0 384.457 2.696 10 0 GFAERN O=C1CCCC(=O)N1c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 ZINC000012201887 206869226 /nfs/dbraw/zinc/86/92/26/206869226.db2.gz FSSQIKFOWMSGOS-UHFFFAOYSA-N 0 0 392.864 2.862 10 0 GFAERN CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](C(=O)c2ccc(OC)c(F)c2)C1 ZINC000012316592 206883975 /nfs/dbraw/zinc/88/39/75/206883975.db2.gz QIPNBYQTMLHSRL-CQSZACIVSA-N 0 0 389.427 2.829 10 0 GFAERN O=C(CN1c2cc(-c3ccccc3)nn2CCC1=O)NCc1ccccc1F ZINC000020944244 207220609 /nfs/dbraw/zinc/22/06/09/207220609.db2.gz NANKYVMEWNPRGD-UHFFFAOYSA-N 0 0 378.407 2.742 10 0 GFAERN Cc1cnc(NCCN2N=C(c3ccccc3)CCC2=O)nc1-c1ccnn1C ZINC000023339738 207274248 /nfs/dbraw/zinc/27/42/48/207274248.db2.gz KMDANPVJESMAJG-UHFFFAOYSA-N 0 0 389.463 2.624 10 0 GFAERN CC(=O)Nc1ccc(C2=NN(C(C)=O)[C@H](C)Cc3cc4c(cc32)OCO4)cc1 ZINC000033893373 207463611 /nfs/dbraw/zinc/46/36/11/207463611.db2.gz RNJAHAXIBIIAHU-GFCCVEGCSA-N 0 0 379.416 2.919 10 0 GFAERN COCC(=O)N1CCCCC[C@@H]1C1CCN(Cc2nc(C(C)C)no2)CC1 ZINC000071890528 207549606 /nfs/dbraw/zinc/54/96/06/207549606.db2.gz HEGZGVAVYGUOHZ-QGZVFWFLSA-N 0 0 378.517 2.823 10 0 GFAERN CCS(=O)(=O)c1ncc(CN(C)Cc2ccccn2)n1Cc1ccccc1 ZINC000015064198 208036963 /nfs/dbraw/zinc/03/69/63/208036963.db2.gz QQFBPVGKEJMVMF-UHFFFAOYSA-N 0 0 384.505 2.752 10 0 GFAERN CCn1nc(C)c(CCNC(=O)[C@@H]2CCCN(C(=O)c3[nH]c(C)cc3C)C2)c1C ZINC000085620466 208100434 /nfs/dbraw/zinc/10/04/34/208100434.db2.gz UHUMUJQUHGVSCN-GOSISDBHSA-N 0 0 399.539 2.676 10 0 GFAERN CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cnc3ccccc3n2)CC1 ZINC000095083615 208151722 /nfs/dbraw/zinc/15/17/22/208151722.db2.gz CGEKRRTUSUDCAT-UHFFFAOYSA-N 0 0 377.466 2.803 10 0 GFAERN COC(=O)[C@@H]1[C@H]2[C@@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C ZINC000095079893 208152473 /nfs/dbraw/zinc/15/24/73/208152473.db2.gz AVAMRGOONZYOCL-YIYPIFLZSA-N 0 0 382.501 2.582 10 0 GFAERN CC(C)Cn1c2cnccc2nc1[C@@H]1CCN(S(=O)(=O)c2cccnc2)C1 ZINC000096310633 208305574 /nfs/dbraw/zinc/30/55/74/208305574.db2.gz VZMDQTJOKNSKKQ-OAHLLOKOSA-N 0 0 385.493 2.661 10 0 GFAERN CC1(C(=O)NCc2ccc(F)cc2)CCN(S(=O)(=O)c2cccs2)CC1 ZINC000064928113 209002432 /nfs/dbraw/zinc/00/24/32/209002432.db2.gz ZKLINZMXJXBKAD-UHFFFAOYSA-N 0 0 396.509 2.994 10 0 GFAERN O=C(NCc1cccs1)[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1 ZINC000097866369 209014961 /nfs/dbraw/zinc/01/49/61/209014961.db2.gz CCJGPSMRYGATBQ-HNNXBMFYSA-N 0 0 395.488 2.702 10 0 GFAERN Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000224179806 136206400 /nfs/dbraw/zinc/20/64/00/136206400.db2.gz QPZFRXMJDIRKSZ-UHFFFAOYSA-N 0 0 375.860 2.905 10 0 GFAERN CC[C@H]1CN(CCNC(=O)c2noc3c2CCCC3)Cc2cc(OC)ccc2O1 ZINC000299774413 209086602 /nfs/dbraw/zinc/08/66/02/209086602.db2.gz HPERRRCJVYKVLQ-INIZCTEOSA-N 0 0 399.491 2.965 10 0 GFAERN CC(=O)c1cc(I)cc(CCNC(=O)OC(C)(C)C)n1 ZINC000095767822 222361100 /nfs/dbraw/zinc/36/11/00/222361100.db2.gz XHJKKYCZPONMHI-UHFFFAOYSA-N 0 0 390.221 2.956 10 0 GFAERN CCc1nn(CC(=O)NCc2ccccc2)c(=O)c2cc3cc(F)ccc3n21 ZINC000009971909 517869514 /nfs/dbraw/zinc/86/95/14/517869514.db2.gz MABPYDXIINKNCI-UHFFFAOYSA-N 0 0 378.407 2.667 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCSc1ccc(Cl)cc1 ZINC000028440326 551124149 /nfs/dbraw/zinc/12/41/49/551124149.db2.gz WUJZXEFHHQEMCO-HNNXBMFYSA-N 0 0 390.958 2.753 10 0 GFAERN CC(C)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000043070280 551140522 /nfs/dbraw/zinc/14/05/22/551140522.db2.gz GYFXZKODHRFQMK-GFCCVEGCSA-N 0 0 391.896 2.540 10 0 GFAERN C[C@@H](C(=O)NCc1cc(Br)cs1)N1C(=O)c2ccccc2C1=O ZINC000046257248 551149622 /nfs/dbraw/zinc/14/96/22/551149622.db2.gz JYJHBXWEHKJDMA-VIFPVBQESA-N 0 0 393.262 2.812 10 0 GFAERN CC(C)Oc1cc(Br)ccc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112646586 551206849 /nfs/dbraw/zinc/20/68/49/551206849.db2.gz LFAGCHJOKYAYQC-LBPRGKRZSA-N 0 0 379.258 2.573 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cs1 ZINC000116351684 551212718 /nfs/dbraw/zinc/21/27/18/551212718.db2.gz FEOBVMHXVJKJPI-UHFFFAOYSA-N 0 0 383.514 2.628 10 0 GFAERN Cn1cc([C@@H]2CCN(S(=O)(=O)/C=C/c3cccc(Br)c3)C2)cn1 ZINC000116371103 551213124 /nfs/dbraw/zinc/21/31/24/551213124.db2.gz QWASKBHFPJMHQV-IZPAUZPXSA-N 0 0 396.310 2.973 10 0 GFAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119503132 551217326 /nfs/dbraw/zinc/21/73/26/551217326.db2.gz GAYKLAGHXVSGEB-UHFFFAOYSA-N 0 0 395.232 2.656 10 0 GFAERN CCOc1c(Br)cc(CN2CC[C@H](N3CCOCC3)C2)cc1OC ZINC000120968871 551223916 /nfs/dbraw/zinc/22/39/16/551223916.db2.gz FGBGHRKLGYFLSA-HNNXBMFYSA-N 0 0 399.329 2.763 10 0 GFAERN O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)C(=O)N1CCC[C@@H]1CO ZINC000121119826 551227792 /nfs/dbraw/zinc/22/77/92/551227792.db2.gz HRGMRTGMGIMNBK-SNVBAGLBSA-N 0 0 396.818 2.916 10 0 GFAERN Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121723293 551240924 /nfs/dbraw/zinc/24/09/24/551240924.db2.gz MMZMDVSBACXTST-NSHDSACASA-N 0 0 399.314 2.725 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1Br ZINC000121846040 551243694 /nfs/dbraw/zinc/24/36/94/551243694.db2.gz QFMHMYYWFRHWAX-AWEZNQCLSA-N 0 0 384.318 2.789 10 0 GFAERN Cc1ccc([C@H](C)NC(=O)NCCNS(=O)(=O)c2cccs2)cc1F ZINC000122401523 551297742 /nfs/dbraw/zinc/29/77/42/551297742.db2.gz GRUXAHNDCJBAFJ-LBPRGKRZSA-N 0 0 385.486 2.534 10 0 GFAERN CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123072283 551302687 /nfs/dbraw/zinc/30/26/87/551302687.db2.gz KFFNEJCKXGXQSI-CQSZACIVSA-N 0 0 391.269 2.599 10 0 GFAERN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000123128434 551303558 /nfs/dbraw/zinc/30/35/58/551303558.db2.gz NLHIAFFWBZXNQM-HIFRSBDPSA-N 0 0 399.304 2.700 10 0 GFAERN COc1cc(CN2C[C@H](C)O[C@@H](C)C2)cc(I)c1OC ZINC000126979161 551335234 /nfs/dbraw/zinc/33/52/34/551335234.db2.gz DSRKSCNPJMMBNQ-QWRGUYRKSA-N 0 0 391.249 2.918 10 0 GFAERN Cc1[nH]c(=O)c(C(=O)N2CCO[C@@H](c3nccs3)C2)cc1Br ZINC000127001129 551335620 /nfs/dbraw/zinc/33/56/20/551335620.db2.gz LFPYVTYOYXDLPM-LLVKDONJSA-N 0 0 384.255 2.528 10 0 GFAERN O=C(c1cc(Br)cnc1Cl)N1CCC[C@H](Cn2cncn2)C1 ZINC000127742859 551344253 /nfs/dbraw/zinc/34/42/53/551344253.db2.gz ZOPLJUCWORXVTE-JTQLQIEISA-N 0 0 384.665 2.641 10 0 GFAERN C[C@@H](c1cccc(Br)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000128093256 551346376 /nfs/dbraw/zinc/34/63/76/551346376.db2.gz USOIRTJRUPLDDF-ZDUSSCGKSA-N 0 0 387.285 2.770 10 0 GFAERN Cc1ccc(Br)c(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000129231454 551355050 /nfs/dbraw/zinc/35/50/50/551355050.db2.gz OLYFUZBCIBFPBP-BBRMVZONSA-N 0 0 382.302 2.942 10 0 GFAERN O=C(Cc1cc(F)ccc1Br)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000134079656 551384897 /nfs/dbraw/zinc/38/48/97/551384897.db2.gz IVTFEDAWYKFGOK-CQSZACIVSA-N 0 0 393.260 2.706 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1Br ZINC000134418802 551385299 /nfs/dbraw/zinc/38/52/99/551385299.db2.gz HXNLFULGHNGKLP-GFCCVEGCSA-N 0 0 380.246 2.844 10 0 GFAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000150885173 551403503 /nfs/dbraw/zinc/40/35/03/551403503.db2.gz RCLCMEXNVMJACC-GJZGRUSLSA-N 0 0 392.253 2.636 10 0 GFAERN O=C(CSc1nncn1-c1cccc(Cl)c1)N[C@@H]1CCCC[C@@H]1CO ZINC000151040873 551406269 /nfs/dbraw/zinc/40/62/69/551406269.db2.gz UZONJEIFCITCRN-IUODEOHRSA-N 0 0 380.901 2.680 10 0 GFAERN COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)s2)sc1S(N)(=O)=O ZINC000151458480 551413978 /nfs/dbraw/zinc/41/39/78/551413978.db2.gz VVSSUWYDZCLENB-LURJTMIESA-N 0 0 380.900 2.610 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(I)c(Cl)c1 ZINC000152089970 551425734 /nfs/dbraw/zinc/42/57/34/551425734.db2.gz GIQGFIKHCZDBFJ-NEPJUHHUSA-N 0 0 379.625 2.978 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(Cl)cc1 ZINC000153944314 551463772 /nfs/dbraw/zinc/46/37/72/551463772.db2.gz WPJPGPADPGHODB-SNVBAGLBSA-N 0 0 391.873 2.922 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000153978390 551464639 /nfs/dbraw/zinc/46/46/39/551464639.db2.gz KKGATYALNSTYDN-LDWIPMOCSA-N 0 0 381.148 2.811 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000154512704 551477180 /nfs/dbraw/zinc/47/71/80/551477180.db2.gz JFCUOLVLDSRKHT-RHSMWYFYSA-N 0 0 381.314 2.561 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)no1 ZINC000154830212 551483721 /nfs/dbraw/zinc/48/37/21/551483721.db2.gz NNTOZSVMMUZFBI-UHFFFAOYSA-N 0 0 384.267 2.615 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)s1 ZINC000154819034 551483845 /nfs/dbraw/zinc/48/38/45/551483845.db2.gz LWSRRWGLXUVGSV-UHFFFAOYSA-N 0 0 396.310 2.878 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCc1ccc(Br)cc1 ZINC000155088273 551491217 /nfs/dbraw/zinc/49/12/17/551491217.db2.gz XLTLRGZBDQIKOF-CQSZACIVSA-N 0 0 393.285 2.771 10 0 GFAERN Cc1csc([C@@H]2CN([C@H](C(N)=O)c3cccc(Br)c3)CCO2)n1 ZINC000155341825 551497598 /nfs/dbraw/zinc/49/75/98/551497598.db2.gz ULADSCWYQSPURF-KBPBESRZSA-N 0 0 396.310 2.814 10 0 GFAERN COc1ccncc1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000155348312 551497825 /nfs/dbraw/zinc/49/78/25/551497825.db2.gz XGJIZVBMFINOLO-SNVBAGLBSA-N 0 0 378.226 2.669 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000155508516 551501481 /nfs/dbraw/zinc/50/14/81/551501481.db2.gz PZUYWJWWGMELMC-JTQLQIEISA-N 0 0 378.420 2.752 10 0 GFAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCS[C@@H](C)C1 ZINC000155841835 551509085 /nfs/dbraw/zinc/50/90/85/551509085.db2.gz YTQDYSADPAYRTO-JTQLQIEISA-N 0 0 387.299 2.750 10 0 GFAERN C[C@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@H]1CCCO1 ZINC000156831838 551528639 /nfs/dbraw/zinc/52/86/39/551528639.db2.gz ORBFPACONWVSHN-XHDPSFHLSA-N 0 0 389.265 2.660 10 0 GFAERN CCOCCOc1ccc(Br)cc1NC(=O)C(=O)N(CC)CC ZINC000156843968 551529333 /nfs/dbraw/zinc/52/93/33/551529333.db2.gz JIUQAIQDSURVPI-UHFFFAOYSA-N 0 0 387.274 2.671 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(C)c(Br)cc3C)CCO2)[nH]1 ZINC000157971960 551545718 /nfs/dbraw/zinc/54/57/18/551545718.db2.gz SDAGNAMOLTXFNM-AWEZNQCLSA-N 0 0 393.285 2.960 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000158540954 551553298 /nfs/dbraw/zinc/55/32/98/551553298.db2.gz PADWWURVWWBNGH-NOZJJQNGSA-N 0 0 378.778 2.965 10 0 GFAERN C[C@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccc(Br)cc1 ZINC000162534667 551608994 /nfs/dbraw/zinc/60/89/94/551608994.db2.gz IIGAFPMQLWEDAT-BBRMVZONSA-N 0 0 378.270 2.677 10 0 GFAERN C[C@@H](C(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccc(Br)cc1 ZINC000162535109 551609040 /nfs/dbraw/zinc/60/90/40/551609040.db2.gz IIGAFPMQLWEDAT-CZUORRHYSA-N 0 0 378.270 2.677 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)CSc3cccc(Br)c3)CCO2)[nH]1 ZINC000164027254 551623329 /nfs/dbraw/zinc/62/33/29/551623329.db2.gz UAUMYFYACFBWCJ-ZDUSSCGKSA-N 0 0 397.298 2.568 10 0 GFAERN COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(I)cc1Cl ZINC000170755892 551638864 /nfs/dbraw/zinc/63/88/64/551638864.db2.gz PKQZDESNHSGHKQ-SFYZADRCSA-N 0 0 379.581 2.692 10 0 GFAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2sccc2Br)cn1 ZINC000171432305 551655762 /nfs/dbraw/zinc/65/57/62/551655762.db2.gz UYWKPANCVPETMD-NSHDSACASA-N 0 0 376.301 2.770 10 0 GFAERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000171675366 551660642 /nfs/dbraw/zinc/66/06/42/551660642.db2.gz NUAJHTNEMZRMGH-ZDUSSCGKSA-N 0 0 383.901 2.910 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1nc2c(s1)COCC2)c1ccc(F)c(Cl)c1 ZINC000172300449 551675206 /nfs/dbraw/zinc/67/52/06/551675206.db2.gz FANCBPPQWWJFEH-QMMMGPOBSA-N 0 0 383.832 2.824 10 0 GFAERN C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767527 551687208 /nfs/dbraw/zinc/68/72/08/551687208.db2.gz DFZKYHGBHOLFLC-UKRRQHHQSA-N 0 0 399.354 2.863 10 0 GFAERN Cc1c(Br)cccc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000173094311 551695888 /nfs/dbraw/zinc/69/58/88/551695888.db2.gz GWYOATIDIGZOJG-UHFFFAOYSA-N 0 0 391.313 2.839 10 0 GFAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000173301930 552082102 /nfs/dbraw/zinc/08/21/02/552082102.db2.gz SKHSXQZGEWVQAA-INIZCTEOSA-N 0 0 383.491 2.907 10 0 GFAERN C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)C[C@H]1N1CCOCC1 ZINC000173395878 552085184 /nfs/dbraw/zinc/08/51/84/552085184.db2.gz RCZMTWQMHASMFI-IUODEOHRSA-N 0 0 392.297 2.723 10 0 GFAERN O=Cc1ccc(OCC(=O)N2CCC(c3cc[nH]n3)CC2)c(Br)c1 ZINC000173631863 552089440 /nfs/dbraw/zinc/08/94/40/552089440.db2.gz RHUHVHCSBZOPKR-UHFFFAOYSA-N 0 0 392.253 2.770 10 0 GFAERN C[C@@H]1CN(C(=O)CCc2ccccc2Br)C[C@H]1N1CCOCC1 ZINC000173825224 552093111 /nfs/dbraw/zinc/09/31/11/552093111.db2.gz UIGAWJUOABDKJX-RHSMWYFYSA-N 0 0 381.314 2.561 10 0 GFAERN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H]1Cn1ccnc1 ZINC000173836052 552093618 /nfs/dbraw/zinc/09/36/18/552093618.db2.gz QUOXJAMXZGJSFJ-LBPRGKRZSA-N 0 0 375.372 2.635 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cccc(Br)c1 ZINC000173841899 552093723 /nfs/dbraw/zinc/09/37/23/552093723.db2.gz DBYFOTFMFHJNQE-AWEZNQCLSA-N 0 0 384.299 2.807 10 0 GFAERN C[C@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@H]1N1CCOCC1 ZINC000173967968 552096358 /nfs/dbraw/zinc/09/63/58/552096358.db2.gz WUABVHGAYPCCGT-DZGCQCFKSA-N 0 0 377.535 2.568 10 0 GFAERN CCc1nnc([C@@H]2CN(Cc3cc(Br)ccc3OC)CCO2)[nH]1 ZINC000174100350 552099127 /nfs/dbraw/zinc/09/91/27/552099127.db2.gz SLILZEVIBPODHB-AWEZNQCLSA-N 0 0 381.274 2.712 10 0 GFAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(Cl)cc3Cl)C2=O)n(C)n1 ZINC000175019669 552114205 /nfs/dbraw/zinc/11/42/05/552114205.db2.gz KLRXAWNHOSPHRL-AWEZNQCLSA-N 0 0 381.263 2.961 10 0 GFAERN O=S(=O)(CCN1CCO[C@H]2CCCC[C@@H]21)c1cccc(Br)c1 ZINC000175597670 552125505 /nfs/dbraw/zinc/12/55/05/552125505.db2.gz QRVXLVTZPZEMQO-HOTGVXAUSA-N 0 0 388.327 2.866 10 0 GFAERN COc1cc(Br)c(NC(=O)N[C@@H]2CCCn3ncnc32)cc1OC ZINC000175960509 552133051 /nfs/dbraw/zinc/13/30/51/552133051.db2.gz JGVURSGPDKBDJT-SNVBAGLBSA-N 0 0 396.245 2.714 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000176671379 552143414 /nfs/dbraw/zinc/14/34/14/552143414.db2.gz MIKPGEVGVBDNRE-LLVKDONJSA-N 0 0 393.241 2.597 10 0 GFAERN COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)cc1Cl ZINC000177003310 552149361 /nfs/dbraw/zinc/14/93/61/552149361.db2.gz GCEKBTSJLVJRIN-LLVKDONJSA-N 0 0 391.280 2.715 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(F)cc3Br)CCO2)[nH]1 ZINC000177023946 552149917 /nfs/dbraw/zinc/14/99/17/552149917.db2.gz ZXYLHVVETYEEJI-GFCCVEGCSA-N 0 0 384.209 2.620 10 0 GFAERN Cc1ccc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(Br)c1 ZINC000177696972 552156854 /nfs/dbraw/zinc/15/68/54/552156854.db2.gz BPRUCSTUASXWKM-BBRMVZONSA-N 0 0 382.302 2.942 10 0 GFAERN Cc1ccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000177696986 552157063 /nfs/dbraw/zinc/15/70/63/552157063.db2.gz BPRUCSTUASXWKM-CJNGLKHVSA-N 0 0 382.302 2.942 10 0 GFAERN C[C@H]1CN(C(=O)Nc2ccc(Br)cc2F)C[C@H]1N1CCOCC1 ZINC000177691257 552157083 /nfs/dbraw/zinc/15/70/83/552157083.db2.gz TVGRJUOVGCRWNT-XHDPSFHLSA-N 0 0 386.265 2.773 10 0 GFAERN Cc1ccc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000177696947 552157163 /nfs/dbraw/zinc/15/71/63/552157163.db2.gz BPRUCSTUASXWKM-XJKSGUPXSA-N 0 0 382.302 2.942 10 0 GFAERN Cn1cc(Br)cc(NC(=O)N[C@@H]2CCOc3ccccc32)c1=O ZINC000177972804 552161819 /nfs/dbraw/zinc/16/18/19/552161819.db2.gz HSOJYMINAXJCAY-GFCCVEGCSA-N 0 0 378.226 2.793 10 0 GFAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178333464 552169287 /nfs/dbraw/zinc/16/92/87/552169287.db2.gz SERAXEBWSNKTHV-YVEFUNNKSA-N 0 0 382.254 2.945 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Cc1cc(Br)ccc1F)CC2 ZINC000178914268 552179340 /nfs/dbraw/zinc/17/93/40/552179340.db2.gz FGTVKCLPBJDJPF-CYBMUJFWSA-N 0 0 395.276 2.977 10 0 GFAERN C[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000179253411 552188438 /nfs/dbraw/zinc/18/84/38/552188438.db2.gz WSECNMAZXNRZGG-RISCZKNCSA-N 0 0 380.491 2.889 10 0 GFAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Br)c(O)c1 ZINC000179336541 552190106 /nfs/dbraw/zinc/19/01/06/552190106.db2.gz UQVZVMHBUHHGJX-CYBMUJFWSA-N 0 0 396.262 2.803 10 0 GFAERN CCCCCOc1ccc(Br)cc1CN1CCOC[C@H]1C(N)=O ZINC000179731898 552201358 /nfs/dbraw/zinc/20/13/58/552201358.db2.gz OVIDRNRHBBLXCO-HNNXBMFYSA-N 0 0 385.302 2.704 10 0 GFAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179855096 552205682 /nfs/dbraw/zinc/20/56/82/552205682.db2.gz XOAXBHJLYOUZQX-LLVKDONJSA-N 0 0 377.235 2.515 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000180094737 552212809 /nfs/dbraw/zinc/21/28/09/552212809.db2.gz CEXQXXJOOVOGIS-LLVKDONJSA-N 0 0 384.889 2.510 10 0 GFAERN C[C@H](NCc1csc(CS(C)(=O)=O)n1)c1cccc(-n2ccnc2)c1 ZINC000180657549 552232385 /nfs/dbraw/zinc/23/23/85/552232385.db2.gz MKMOVCGAJULBNU-ZDUSSCGKSA-N 0 0 376.507 2.724 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](C)C2 ZINC000181257361 552251605 /nfs/dbraw/zinc/25/16/05/552251605.db2.gz RJUXQQFQIMINQG-PIGZYNQJSA-N 0 0 378.881 2.959 10 0 GFAERN COc1nc(N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)ncc1Br ZINC000181279738 552251656 /nfs/dbraw/zinc/25/16/56/552251656.db2.gz SOQJZWPZSLGDAX-MRVPVSSYSA-N 0 0 399.195 2.743 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1cncc(Br)c1)CC2 ZINC000181637869 552263712 /nfs/dbraw/zinc/26/37/12/552263712.db2.gz YQBDMJABLUKVCK-NSHDSACASA-N 0 0 379.262 2.696 10 0 GFAERN COC(=O)C[C@H](NC(=O)N[C@H]1CCCOCC1)c1cccc(Br)c1 ZINC000181646643 552264092 /nfs/dbraw/zinc/26/40/92/552264092.db2.gz QBDCBJMSDFMCAV-GJZGRUSLSA-N 0 0 399.285 2.922 10 0 GFAERN OCCOc1ccc(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cn1 ZINC000181711067 552265713 /nfs/dbraw/zinc/26/57/13/552265713.db2.gz RTEWWXDINLXVRO-UHFFFAOYSA-N 0 0 380.235 2.952 10 0 GFAERN COc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2C)nc1Br ZINC000183233584 552303181 /nfs/dbraw/zinc/30/31/81/552303181.db2.gz SESRSWDDMHHAEX-GFCCVEGCSA-N 0 0 379.258 2.662 10 0 GFAERN O=C(NCCN1CCOCC1)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000184780747 552343961 /nfs/dbraw/zinc/34/39/61/552343961.db2.gz KYUJWCFPQHAUNK-DOTOQJQBSA-N 0 0 387.307 2.910 10 0 GFAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2c(F)cccc2Cl)C12CCOCC2 ZINC000185144608 552355401 /nfs/dbraw/zinc/35/54/01/552355401.db2.gz ZOAXIKLPNIVUHY-UONOGXRCSA-N 0 0 377.865 2.732 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)c(O)c2)C12CCOCC2 ZINC000186453561 552388094 /nfs/dbraw/zinc/38/80/94/552388094.db2.gz XYJDNLVXDWIPNL-HUUCEWRRSA-N 0 0 384.270 2.859 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)COc2ccccc2Br)C12CCOCC2 ZINC000187155999 552407785 /nfs/dbraw/zinc/40/77/85/552407785.db2.gz AYIKDSYAXPRRPX-HZPDHXFCSA-N 0 0 398.297 2.918 10 0 GFAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000187185049 552408980 /nfs/dbraw/zinc/40/89/80/552408980.db2.gz GOJJAGHJZDKGGX-HZMBPMFUSA-N 0 0 387.249 2.502 10 0 GFAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187407673 552415047 /nfs/dbraw/zinc/41/50/47/552415047.db2.gz FDHGPFDZCRXWNF-LLVKDONJSA-N 0 0 380.779 2.764 10 0 GFAERN Cc1ccc(Br)cc1CNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000187659691 552421651 /nfs/dbraw/zinc/42/16/51/552421651.db2.gz NXUYXIUHBZNWCS-HNNXBMFYSA-N 0 0 378.274 2.896 10 0 GFAERN CC(C)[C@](C)(NC(=O)NC[C@H]1CN(C)CCO1)c1ccc(Br)cc1 ZINC000188634249 552450873 /nfs/dbraw/zinc/45/08/73/552450873.db2.gz VHXIOEQBSOLIBO-WMZOPIPTSA-N 0 0 398.345 2.950 10 0 GFAERN Cc1nn(-c2ccc(Br)cc2)cc1CN1CCCNC(=O)[C@@H]1C ZINC000189087740 552462813 /nfs/dbraw/zinc/46/28/13/552462813.db2.gz SWTTVIPYARORPW-ZDUSSCGKSA-N 0 0 377.286 2.654 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(Br)nc2C)C1 ZINC000189460817 552471974 /nfs/dbraw/zinc/47/19/74/552471974.db2.gz VBHGAGACVPYRGB-CMPLNLGQSA-N 0 0 396.245 2.838 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1nc(Br)ccc1Br ZINC000189480587 552472608 /nfs/dbraw/zinc/47/26/08/552472608.db2.gz XDCXVJGMMPFBST-PSASIEDQSA-N 0 0 392.091 2.888 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)CCc3cccs3)CC2)cs1 ZINC000189625494 552476489 /nfs/dbraw/zinc/47/64/89/552476489.db2.gz HWNSVPCXHNFXEO-UHFFFAOYSA-N 0 0 385.580 2.593 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)c1cccc(Br)c1 ZINC000189975362 552484434 /nfs/dbraw/zinc/48/44/34/552484434.db2.gz ZPMZBIXZZOORJT-UGFHNGPFSA-N 0 0 384.270 2.985 10 0 GFAERN CNS(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)nc1 ZINC000190628390 552503842 /nfs/dbraw/zinc/50/38/42/552503842.db2.gz XAJNTJNVIPKYPA-VIFPVBQESA-N 0 0 386.836 2.665 10 0 GFAERN O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000192075188 552549740 /nfs/dbraw/zinc/54/97/40/552549740.db2.gz PGJWQOFWESLKHS-GXSJLCMTSA-N 0 0 389.677 2.708 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Nc3ccc(Br)nc3)CCO2)cn1 ZINC000192333771 552560337 /nfs/dbraw/zinc/56/03/37/552560337.db2.gz VTXRGEZRQRFBAZ-ZDUSSCGKSA-N 0 0 380.246 2.666 10 0 GFAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000192697129 552971846 /nfs/dbraw/zinc/97/18/46/552971846.db2.gz KOFJQQZCUKZZGY-MRXNPFEDSA-N 0 0 380.275 2.932 10 0 GFAERN COC(=O)c1cncc(S(=O)(=O)N[C@H](C)c2ccccc2Br)c1 ZINC000193766031 553002594 /nfs/dbraw/zinc/00/25/94/553002594.db2.gz SLCSIIMGKDFVOI-SNVBAGLBSA-N 0 0 399.266 2.670 10 0 GFAERN CCOC(=O)[C@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000194357452 553018795 /nfs/dbraw/zinc/01/87/95/553018795.db2.gz LALFNXOHIUUGFX-ZWNOBZJWSA-N 0 0 380.794 2.943 10 0 GFAERN Clc1cc(Cl)cc(CCN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000194479809 553022005 /nfs/dbraw/zinc/02/20/05/553022005.db2.gz HPMPPSCDDHWCHG-UHFFFAOYSA-N 0 0 377.279 2.796 10 0 GFAERN CCc1nnc(CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)n1C ZINC000194685260 553027101 /nfs/dbraw/zinc/02/71/01/553027101.db2.gz YZRNNHDRRRTRMV-INIZCTEOSA-N 0 0 382.251 2.652 10 0 GFAERN C[C@@H](NC(=O)c1ccc(CS(N)(=O)=O)cc1)c1ccccc1Br ZINC000195195089 553040818 /nfs/dbraw/zinc/04/08/18/553040818.db2.gz FZJXDASIGGFJNH-LLVKDONJSA-N 0 0 397.294 2.729 10 0 GFAERN C[C@@H](NC(=O)c1ccc(CS(N)(=O)=O)cc1)c1cccc(Br)c1 ZINC000195440793 553048917 /nfs/dbraw/zinc/04/89/17/553048917.db2.gz LMWGYRPBSUSQKF-LLVKDONJSA-N 0 0 397.294 2.729 10 0 GFAERN O=S(=O)(c1c(F)cccc1F)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246495812 553108397 /nfs/dbraw/zinc/10/83/97/553108397.db2.gz AXSSUWGRVQSRGR-BMIGLBTASA-N 0 0 375.343 2.740 10 0 GFAERN O=S(=O)(c1cccc(F)c1F)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246899006 553114924 /nfs/dbraw/zinc/11/49/24/553114924.db2.gz XQDBDOLBZHOXAT-YGRLFVJLSA-N 0 0 375.343 2.740 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C[C@H]1C ZINC000246884262 553115115 /nfs/dbraw/zinc/11/51/15/553115115.db2.gz WSFFQAZSEVCJNA-CABCVRRESA-N 0 0 395.341 2.784 10 0 GFAERN C[C@H](NC(=O)CN1CC[C@@H](N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000247190969 553119522 /nfs/dbraw/zinc/11/95/22/553119522.db2.gz BRVHDDVGSXRWMP-DZGCQCFKSA-N 0 0 386.323 2.577 10 0 GFAERN COCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@@H]1C ZINC000247175100 553119562 /nfs/dbraw/zinc/11/95/62/553119562.db2.gz RMVHIJVVGFSJEZ-RRQGHBQHSA-N 0 0 381.314 2.732 10 0 GFAERN Cc1cc(OC[C@H](O)CN2CCS(=O)(=O)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000247348157 553121691 /nfs/dbraw/zinc/12/16/91/553121691.db2.gz LCKZESVKESKBHQ-LSDHHAIUSA-N 0 0 389.945 2.630 10 0 GFAERN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247537698 553123549 /nfs/dbraw/zinc/12/35/49/553123549.db2.gz CRNWTJKGWGXXTP-TZMCWYRMSA-N 0 0 383.279 2.918 10 0 GFAERN C[C@H](NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)c1cccs1 ZINC000248497691 553130665 /nfs/dbraw/zinc/13/06/65/553130665.db2.gz LXQDAMQAIKRVCB-PJODQICGSA-N 0 0 378.494 2.907 10 0 GFAERN CCCCN(C)S(=O)(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000249276776 553141703 /nfs/dbraw/zinc/14/17/03/553141703.db2.gz LEKUWLXVLIISOX-CYBMUJFWSA-N 0 0 375.560 2.791 10 0 GFAERN C[C@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000252660740 553150423 /nfs/dbraw/zinc/15/04/23/553150423.db2.gz CURLVDKAXXWHNE-QWRGUYRKSA-N 0 0 379.345 2.758 10 0 GFAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000261937225 553162709 /nfs/dbraw/zinc/16/27/09/553162709.db2.gz MJIRAQLBUBVDLA-RNCFNFMXSA-N 0 0 382.283 2.888 10 0 GFAERN O=C([O-])[C@@H]1CN(CC(=O)Nc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000263088548 553182160 /nfs/dbraw/zinc/18/21/60/553182160.db2.gz YEJMAJDQQZIUNG-RKDXNWHRSA-N 0 0 395.175 2.583 10 0 GFAERN CN(Cc1csc(Br)c1)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000301285131 563399154 /nfs/dbraw/zinc/39/91/54/563399154.db2.gz ZBKJIRQXPRBWQX-LBPRGKRZSA-N 0 0 383.315 2.898 10 0 GFAERN CN(Cc1cc(Cl)ccc1I)C[C@H]1CN(C)CCO1 ZINC000593010775 565306727 /nfs/dbraw/zinc/30/67/27/565306727.db2.gz LFMQQFRPBFHATK-CYBMUJFWSA-N 0 0 394.684 2.707 10 0 GFAERN CCO[C@]1(C(=O)Nc2ccc(I)cc2F)CCOC1 ZINC000598065611 565592134 /nfs/dbraw/zinc/59/21/34/565592134.db2.gz BQLHNNKYCFUZOB-CYBMUJFWSA-N 0 0 379.169 2.564 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C(F)(F)F)[C@@H]2C(C)C)cc1 ZINC000004778652 570405282 /nfs/dbraw/zinc/40/52/82/570405282.db2.gz NFYNVFXLBLXMIW-AWEZNQCLSA-N 0 0 378.416 2.762 10 0 GFAERN COCCNC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1ccccc1C ZINC000036054979 570521819 /nfs/dbraw/zinc/52/18/19/570521819.db2.gz YACKWQJYCBUDSR-OALUTQOASA-N 0 0 384.451 2.753 10 0 GFAERN COc1ccc(OC)c(CNC(=O)c2cc3c(c4ccccc4[nH]c3=O)n2C)c1 ZINC000006771866 570582025 /nfs/dbraw/zinc/58/20/25/570582025.db2.gz KDYMQDLEQPZPQA-UHFFFAOYSA-N 0 0 391.427 2.967 10 0 GFAERN O=C(c1ccccc1F)N1CCN([C@@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036255810 570588715 /nfs/dbraw/zinc/58/87/15/570588715.db2.gz MVRJXMJUVSYJNC-HXUWFJFHSA-N 0 0 387.499 2.765 10 0 GFAERN CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NCc2ccncc2)[C@H](c2ccc(OC)cc2)[N@@H+]1C ZINC000067935209 570797932 /nfs/dbraw/zinc/79/79/32/570797932.db2.gz WKPMNHMHVHDZER-IPJJNNNSSA-N 0 0 397.475 2.633 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000157086444 570800134 /nfs/dbraw/zinc/80/01/34/570800134.db2.gz ZSMUPTCGJRJPKW-KRWDZBQOSA-N 0 0 390.509 2.975 10 0 GFAERN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2Nc2ccc(Cl)cc2)CC1 ZINC000101535037 570826414 /nfs/dbraw/zinc/82/64/14/570826414.db2.gz LLXXEZWMTVKNND-UHFFFAOYSA-N 0 0 377.828 2.712 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)NC[C@@H]1CCCO1)CC2 ZINC000547695321 570904174 /nfs/dbraw/zinc/90/41/74/570904174.db2.gz YBMSOGBAJCHMKX-ROUUACIJSA-N 0 0 391.537 2.840 10 0 GFAERN C[C@H](c1nnnn1-c1ccccc1)N1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000084668036 571030232 /nfs/dbraw/zinc/03/02/32/571030232.db2.gz RHBIQXLYXIKMND-MRXNPFEDSA-N 0 0 388.479 2.812 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)N1CCOCC1 ZINC000036622365 654612552 /nfs/dbraw/zinc/61/25/52/654612552.db2.gz UULCMVZTBCAIHB-GFCCVEGCSA-N 0 0 375.296 2.988 10 0 GFAERN COC(=O)[C@@H](NC(=O)c1ccccc1I)c1ccccc1 ZINC000050512805 654720438 /nfs/dbraw/zinc/72/04/38/654720438.db2.gz YOIBVBHIPZLEHD-AWEZNQCLSA-N 0 0 395.196 2.935 10 0 GFAERN O=S(=O)(/C=C/c1ccccc1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000053687133 654749644 /nfs/dbraw/zinc/74/96/44/654749644.db2.gz NQLPCGSADMODTK-ZRDIBKRKSA-N 0 0 385.894 2.704 10 0 GFAERN O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123255368 654754228 /nfs/dbraw/zinc/75/42/28/654754228.db2.gz XKYQALUAVIWGPQ-PIGZYNQJSA-N 0 0 399.260 2.680 10 0 GFAERN C[C@H](NC(=O)NCC(=O)NCc1ccco1)c1ccccc1Br ZINC000054092596 654756111 /nfs/dbraw/zinc/75/61/11/654756111.db2.gz ZDVIHRMBHUOLNI-NSHDSACASA-N 0 0 380.242 2.719 10 0 GFAERN Cc1ccc(Br)cc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000124782754 654781223 /nfs/dbraw/zinc/78/12/23/654781223.db2.gz KQVZJMZYISUKLA-NSHDSACASA-N 0 0 397.294 2.896 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000057085271 654799782 /nfs/dbraw/zinc/79/97/82/654799782.db2.gz NNRPEHURMWGFHZ-VIFPVBQESA-N 0 0 393.408 2.547 10 0 GFAERN COC(=O)[C@@H]1CCCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000066834689 654916811 /nfs/dbraw/zinc/91/68/11/654916811.db2.gz TZKQAMCWNKFCPQ-LLVKDONJSA-N 0 0 380.242 2.884 10 0 GFAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@H]1CCCc2ccccc21 ZINC000133879353 654976219 /nfs/dbraw/zinc/97/62/19/654976219.db2.gz TUPIRDNJBORFBE-ZDUSSCGKSA-N 0 0 384.910 2.874 10 0 GFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000070690240 654993154 /nfs/dbraw/zinc/99/31/54/654993154.db2.gz FPPKPKCUPINHAZ-LLVKDONJSA-N 0 0 379.258 2.734 10 0 GFAERN O=C(Nc1ccc(O)c(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000135907275 655025274 /nfs/dbraw/zinc/02/52/74/655025274.db2.gz XFRYOIQALNAZDV-OAHLLOKOSA-N 0 0 380.853 2.837 10 0 GFAERN CC(C)(C)OC[C@H](O)CN(CCO)Cc1cc(Br)ccc1F ZINC000103228737 655069594 /nfs/dbraw/zinc/06/95/94/655069594.db2.gz SCZLYPIOOLMIGQ-CQSZACIVSA-N 0 0 378.282 2.559 10 0 GFAERN C[C@H](OC(=O)CCCCNC(N)=O)c1ccc(I)cc1 ZINC000103701704 655075315 /nfs/dbraw/zinc/07/53/15/655075315.db2.gz FAUDUARQCQBEPE-JTQLQIEISA-N 0 0 390.221 2.734 10 0 GFAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000104681951 655083999 /nfs/dbraw/zinc/08/39/99/655083999.db2.gz DZBPCKMIWCUCQO-QWHCGFSZSA-N 0 0 382.283 2.506 10 0 GFAERN CCCC(=O)NCC(=O)O[C@@H](C)c1ccc(I)cc1 ZINC000105770363 655098904 /nfs/dbraw/zinc/09/89/04/655098904.db2.gz QNRUERWHWFLMHK-JTQLQIEISA-N 0 0 375.206 2.812 10 0 GFAERN O=C(CN1CCC[C@H](Cn2cncn2)C1)Nc1ccc(Br)cc1F ZINC000106175916 655104521 /nfs/dbraw/zinc/10/45/21/655104521.db2.gz JSTHALSAYLGMEF-LBPRGKRZSA-N 0 0 396.264 2.530 10 0 GFAERN COc1ccc(CN2CCO[C@H](Cn3cccn3)C2)c(Br)c1OC ZINC000106189215 655104750 /nfs/dbraw/zinc/10/47/50/655104750.db2.gz GXJAEWMUFVFXJQ-AWEZNQCLSA-N 0 0 396.285 2.564 10 0 GFAERN Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cnc1Cl ZINC000158581871 655107545 /nfs/dbraw/zinc/10/75/45/655107545.db2.gz NUOHEMGWOJBRTQ-XHDPSFHLSA-N 0 0 388.823 2.818 10 0 GFAERN C[C@@H](NC(=O)c1sccc1-n1cnnn1)c1cccc(Br)c1 ZINC000108656676 655136303 /nfs/dbraw/zinc/13/63/03/655136303.db2.gz VOZTXWFFTWPXQW-SECBINFHSA-N 0 0 378.255 2.977 10 0 GFAERN O=C(Cc1ccc(F)c(Br)c1)N1CCCN(c2cccnn2)CC1 ZINC000109631421 655149385 /nfs/dbraw/zinc/14/93/85/655149385.db2.gz VHWIGXHRHKTZTC-UHFFFAOYSA-N 0 0 393.260 2.660 10 0 GFAERN CN(c1cccnn1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000109640013 655149541 /nfs/dbraw/zinc/14/95/41/655149541.db2.gz UHHHCCSGCHASFA-UHFFFAOYSA-N 0 0 375.270 2.980 10 0 GFAERN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCS[C@@H](C)C2)ccc1Cl ZINC000171580187 655152594 /nfs/dbraw/zinc/15/25/94/655152594.db2.gz HMASYOWHKLJPMM-LBPRGKRZSA-N 0 0 390.958 2.948 10 0 GFAERN Cc1csc([C@@H]2CN(Cn3nc(N(C)C)n(C(C)C)c3=S)CCO2)n1 ZINC000171600943 655152600 /nfs/dbraw/zinc/15/26/00/655152600.db2.gz UBLOEOYUIOXUSJ-ZDUSSCGKSA-N 0 0 382.559 2.857 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)no1 ZINC000109922779 655154092 /nfs/dbraw/zinc/15/40/92/655154092.db2.gz DFKRFQVWUZAKGQ-UHFFFAOYSA-N 0 0 383.279 2.962 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(F)cc3Br)CCO2)n1 ZINC000110900986 655161432 /nfs/dbraw/zinc/16/14/32/655161432.db2.gz GPHDXDLHUWDXSA-AWEZNQCLSA-N 0 0 396.260 2.943 10 0 GFAERN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111077644 655164027 /nfs/dbraw/zinc/16/40/27/655164027.db2.gz CUYYJAHVAHDGGX-LLVKDONJSA-N 0 0 378.841 2.794 10 0 GFAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCc2ccc(Cl)s2)ncn1 ZINC000173421835 655171262 /nfs/dbraw/zinc/17/12/62/655171262.db2.gz PZJNNVLQEVZRBC-LBPRGKRZSA-N 0 0 379.917 2.951 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(Br)cc3C)CCO2)[nH]1 ZINC000173558789 655175101 /nfs/dbraw/zinc/17/51/01/655175101.db2.gz NBDJHSSBCQJXMF-CYBMUJFWSA-N 0 0 379.258 2.652 10 0 GFAERN NC(=O)c1ccc(CNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000111823396 655177667 /nfs/dbraw/zinc/17/76/67/655177667.db2.gz QMEYJPDEAYAFSZ-HNNXBMFYSA-N 0 0 382.247 2.625 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)n1 ZINC000112037070 655181050 /nfs/dbraw/zinc/18/10/50/655181050.db2.gz RZOJKXDGRGUNHZ-JTQLQIEISA-N 0 0 384.267 2.853 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)CCc3cc(Br)cs3)CCO2)c1 ZINC000112063180 655181560 /nfs/dbraw/zinc/18/15/60/655181560.db2.gz XHEJESKQDPWFGQ-CQSZACIVSA-N 0 0 398.326 2.876 10 0 GFAERN O=S(=O)(/C=C/c1cccc(Br)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000173983396 655187958 /nfs/dbraw/zinc/18/79/58/655187958.db2.gz NWULPACXDPADFJ-PMGBHYCQSA-N 0 0 397.298 2.678 10 0 GFAERN CC(C)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1cccc(Br)c1 ZINC000112747738 655197062 /nfs/dbraw/zinc/19/70/62/655197062.db2.gz YOAUWVKTSHPRFC-AWEZNQCLSA-N 0 0 392.301 2.632 10 0 GFAERN Cc1nc(COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)sc1C ZINC000174675172 655205677 /nfs/dbraw/zinc/20/56/77/655205677.db2.gz JHTSXICRNIUOPY-HNNXBMFYSA-N 0 0 380.491 2.656 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1[nH]c3ccccc3c1Br)CC2 ZINC000114868334 655230044 /nfs/dbraw/zinc/23/00/44/655230044.db2.gz YRWHTEXDEMDGMW-SNVBAGLBSA-N 0 0 388.269 2.829 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)C1(c3cccc(Br)c3)CC1)CC2 ZINC000114869886 655230055 /nfs/dbraw/zinc/23/00/55/655230055.db2.gz YQLBEIHOGSFRPM-CQSZACIVSA-N 0 0 389.297 2.766 10 0 GFAERN COC(=O)C[C@@H](NC(=O)c1cc(I)c[nH]1)c1ccccc1 ZINC000115322963 655235000 /nfs/dbraw/zinc/23/50/00/655235000.db2.gz RSLNVWQMHLAOLF-GFCCVEGCSA-N 0 0 398.200 2.654 10 0 GFAERN O=C(N[C@@H]1CCCn2ncnc21)NC1(c2ccc(Br)cc2)CC1 ZINC000176469517 655246666 /nfs/dbraw/zinc/24/66/66/655246666.db2.gz FPMFDXLDVHZKNY-CYBMUJFWSA-N 0 0 376.258 2.864 10 0 GFAERN C[C@@H](OC(=O)c1ccc(CNS(C)(=O)=O)o1)c1nc2ccccc2s1 ZINC000176684772 655252056 /nfs/dbraw/zinc/25/20/56/655252056.db2.gz SXVLWUOFSGLGGR-SNVBAGLBSA-N 0 0 380.447 2.857 10 0 GFAERN CCc1csc([C@H]2CCCN(S(=O)(=O)CC3(CC(=O)OC)CC3)C2)n1 ZINC000176709530 655253397 /nfs/dbraw/zinc/25/33/97/655253397.db2.gz VOBMYENYZKCHJS-ZDUSSCGKSA-N 0 0 386.539 2.558 10 0 GFAERN CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000117258789 655262408 /nfs/dbraw/zinc/26/24/08/655262408.db2.gz GJIXUAPGTFKDCX-DZGCQCFKSA-N 0 0 377.286 2.741 10 0 GFAERN COCCN1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H]1C ZINC000117291311 655263109 /nfs/dbraw/zinc/26/31/09/655263109.db2.gz XXHWEVTXMJGFAS-AWEZNQCLSA-N 0 0 381.314 2.660 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(Br)c(C)c3)CCO2)[nH]1 ZINC000176950523 655263472 /nfs/dbraw/zinc/26/34/72/655263472.db2.gz SKFYFVUYYQYKHN-CYBMUJFWSA-N 0 0 380.246 2.789 10 0 GFAERN CC[C@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CCN1CCOC ZINC000117301805 655263622 /nfs/dbraw/zinc/26/36/22/655263622.db2.gz IEMDLWWBVDLOMU-LBPRGKRZSA-N 0 0 377.432 2.876 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CCN1CCOC ZINC000117301802 655263634 /nfs/dbraw/zinc/26/36/34/655263634.db2.gz IEMDLWWBVDLOMU-GFCCVEGCSA-N 0 0 377.432 2.876 10 0 GFAERN O=C(c1ccc(Cl)s1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000117311694 655263950 /nfs/dbraw/zinc/26/39/50/655263950.db2.gz ZHGOIDBBTXAESX-CQSZACIVSA-N 0 0 380.897 2.599 10 0 GFAERN C[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccco1)Oc1ccccc1Br ZINC000177269902 655272021 /nfs/dbraw/zinc/27/20/21/655272021.db2.gz IILAAJNSYODTCI-VXGBXAGGSA-N 0 0 395.253 2.744 10 0 GFAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000118133316 655272368 /nfs/dbraw/zinc/27/23/68/655272368.db2.gz DSEHBUXEBJRTLS-UHFFFAOYSA-N 0 0 375.643 2.907 10 0 GFAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000177438699 655276982 /nfs/dbraw/zinc/27/69/82/655276982.db2.gz HXZUZDSWYAZCAD-TXEJJXNPSA-N 0 0 388.917 2.666 10 0 GFAERN O=C(Nc1cc(F)c(F)cc1Cl)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177521356 655279379 /nfs/dbraw/zinc/27/93/79/655279379.db2.gz YOCHGMLSKRAXLP-GFCCVEGCSA-N 0 0 387.795 2.613 10 0 GFAERN O=C(Nc1cc(Cl)ccc1Cl)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177521138 655279410 /nfs/dbraw/zinc/27/94/10/655279410.db2.gz ZTSJDOXLKVZSGD-LBPRGKRZSA-N 0 0 386.260 2.989 10 0 GFAERN CO[C@]1(C(=O)Nc2cc(I)ccc2Cl)CCOC1 ZINC000276740835 655285699 /nfs/dbraw/zinc/28/56/99/655285699.db2.gz RUMMDGXMBZLDLW-GFCCVEGCSA-N 0 0 381.597 2.689 10 0 GFAERN Cc1cc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)ccc1Br ZINC000119058367 655288399 /nfs/dbraw/zinc/28/83/99/655288399.db2.gz QAFPBQXOJMGSEV-UHFFFAOYSA-N 0 0 391.313 2.839 10 0 GFAERN O=C(NCc1nc(C2CC2)cs1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000177903465 655290709 /nfs/dbraw/zinc/29/07/09/655290709.db2.gz ZUGPPCRIRRCZFE-CYBMUJFWSA-N 0 0 377.491 2.738 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000177983633 655293464 /nfs/dbraw/zinc/29/34/64/655293464.db2.gz CUDGPZQGWSHBBY-OAHLLOKOSA-N 0 0 391.269 2.584 10 0 GFAERN COc1ccc([C@H](OC(=O)[C@H]2CNC(=O)C2)C(F)(F)F)cc1Br ZINC000182099070 655342153 /nfs/dbraw/zinc/34/21/53/655342153.db2.gz WBFNEYDWYVLZDK-PELKAZGASA-N 0 0 396.159 2.740 10 0 GFAERN CC(=O)N[C@@H]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000120842335 655345192 /nfs/dbraw/zinc/34/51/92/655345192.db2.gz DQJYWVBKCWAXKM-GFCCVEGCSA-N 0 0 377.794 2.898 10 0 GFAERN C[C@H](OC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cccs1 ZINC000183014854 655348624 /nfs/dbraw/zinc/34/86/24/655348624.db2.gz OCIXKMBQDJFBLC-LBPRGKRZSA-N 0 0 378.475 2.947 10 0 GFAERN O=C(O[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1COc2ccc(Br)cc21 ZINC000186229284 655368488 /nfs/dbraw/zinc/36/84/88/655368488.db2.gz PGANAACXPQFEOC-HACGYAERSA-N 0 0 383.238 2.806 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000328629779 655386851 /nfs/dbraw/zinc/38/68/51/655386851.db2.gz PDVRBKSWKLKYQZ-MHKRFPNSSA-N 0 0 383.857 2.794 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)CCc1cccs1 ZINC000189665454 655387267 /nfs/dbraw/zinc/38/72/67/655387267.db2.gz MRHIMMMYZJFHQB-DZGCQCFKSA-N 0 0 388.555 2.903 10 0 GFAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000193594868 655411196 /nfs/dbraw/zinc/41/11/96/655411196.db2.gz HKMTUKLVVUNYPK-NVXWUHKLSA-N 0 0 389.249 2.828 10 0 GFAERN Cc1csc([C@H]2CN(Cn3c(=S)nc4nc(C)cc(C)n43)CCO2)n1 ZINC000195295275 655419965 /nfs/dbraw/zinc/41/99/65/655419965.db2.gz MXPPBLASEFPGHD-CYBMUJFWSA-N 0 0 376.511 2.673 10 0 GFAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@@H]1C ZINC000227812842 655422884 /nfs/dbraw/zinc/42/28/84/655422884.db2.gz JQRCLJAPIXKBIG-WCBMZHEXSA-N 0 0 396.690 2.532 10 0 GFAERN O=c1c(Br)nn(CN2CCO[C@@H]3CCCC[C@H]32)c2ccccc12 ZINC000245709379 655428359 /nfs/dbraw/zinc/42/83/59/655428359.db2.gz NCWHUNPLDRQYBI-HUUCEWRRSA-N 0 0 378.270 2.760 10 0 GFAERN C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1CCOC1 ZINC000246476652 655429983 /nfs/dbraw/zinc/42/99/83/655429983.db2.gz HFJYQZOVSSIVRD-AVGNSLFASA-N 0 0 382.254 2.770 10 0 GFAERN C[C@@H]1CC[C@@H](C(=O)OC[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)O1 ZINC000248948743 655433590 /nfs/dbraw/zinc/43/35/90/655433590.db2.gz ZOZYBQFQEREEPA-XUJVJEKNSA-N 0 0 382.254 2.913 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262943635 655447983 /nfs/dbraw/zinc/44/79/83/655447983.db2.gz NRPPWAARGUZTFR-UHFFFAOYSA-N 0 0 399.285 2.549 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000263100262 655449500 /nfs/dbraw/zinc/44/95/00/655449500.db2.gz WIHBZQFABTYDDB-VCANKDNSSA-N 0 0 398.301 2.747 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(Br)ccc2C)C1 ZINC000263515891 655452318 /nfs/dbraw/zinc/45/23/18/655452318.db2.gz ZWDYJYLEJGBFQT-UHFFFAOYSA-N 0 0 384.274 2.817 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000702795047 655521821 /nfs/dbraw/zinc/52/18/21/655521821.db2.gz KTXRAQNBUBJNFY-YQCLLZEUSA-N 0 0 386.901 2.759 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2ncc(Br)cc2F)C1 ZINC000705656534 655522141 /nfs/dbraw/zinc/52/21/41/655522141.db2.gz ICYUDTGBGWMQRQ-CABZTGNLSA-N 0 0 390.253 2.623 10 0 GFAERN O=S(=O)(/C=C\c1ccc(Br)cc1)NC[C@H]1CCc2nccn2C1 ZINC000886041022 663102737 /nfs/dbraw/zinc/10/27/37/663102737.db2.gz BTDJSUZAMPCWLY-JKEYDSJLSA-N 0 0 396.310 2.798 10 0 GFAERN C[C@H](C(=O)N1CCC(=O)C[C@H]1C1CC1)N1C(=S)N=NC1c1cccs1 ZINC000912191205 664275324 /nfs/dbraw/zinc/27/53/24/664275324.db2.gz VTYQPNOKGFKXFP-MFKMUULPSA-N 0 0 376.507 2.826 10 0 GFAERN COc1ccsc1S(=O)(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328619964 206233644 /nfs/dbraw/zinc/23/36/44/206233644.db2.gz GOPGAWKOZHMQAP-SECBINFHSA-N 0 0 395.428 2.513 10 0 GFAERN O=S(=O)(c1cccc(F)c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016085469 206247765 /nfs/dbraw/zinc/24/77/65/206247765.db2.gz GKUMYJJCEGYZDA-UHFFFAOYSA-N 0 0 389.374 2.750 10 0 GFAERN CCS(=O)(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c32)CC1 ZINC000001377193 206376734 /nfs/dbraw/zinc/37/67/34/206376734.db2.gz HGYVXZLDXJBZJO-UHFFFAOYSA-N 0 0 380.539 2.657 10 0 GFAERN COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000001730746 206389448 /nfs/dbraw/zinc/38/94/48/206389448.db2.gz DPOVAJCRYIUTBD-OAHLLOKOSA-N 0 0 385.416 2.569 10 0 biogenic,in-vitro GFAERN CC[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000004730820 206548788 /nfs/dbraw/zinc/54/87/88/206548788.db2.gz WUFVXVMOSARFKB-DFEHZGFQSA-N 0 0 382.526 2.693 10 0 GFAERN Cc1ccc(Cl)cc1NC(=O)CSc1nn2c(nnc(C)c2=O)s1 ZINC000005143824 206593670 /nfs/dbraw/zinc/59/36/70/206593670.db2.gz IXMKBGABGRJLPF-UHFFFAOYSA-N 0 0 381.870 2.547 10 0 GFAERN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1cccc(OC)c1 ZINC000006200485 206643902 /nfs/dbraw/zinc/64/39/02/206643902.db2.gz QUAOMUDQYLLSNJ-UHFFFAOYSA-N 0 0 376.434 2.806 10 0 GFAERN COc1ccccc1CCc1nnc(CCC(=O)NCC[C@H]2CCCCO2)o1 ZINC000011818551 206833907 /nfs/dbraw/zinc/83/39/07/206833907.db2.gz GXRKOXHYEKCYJW-QGZVFWFLSA-N 0 0 387.480 2.871 10 0 GFAERN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N(C)Cc1nc(C)cs1)C2 ZINC000014533511 207023753 /nfs/dbraw/zinc/02/37/53/207023753.db2.gz NINARUBBBSFWRV-HNNXBMFYSA-N 0 0 387.553 2.893 10 0 GFAERN O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)N1CCC(c2ccccc2)CC1 ZINC000015072181 207044229 /nfs/dbraw/zinc/04/42/29/207044229.db2.gz SKXDTONSXBQLOB-HXUWFJFHSA-N 0 0 397.544 2.845 10 0 GFAERN N[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Br ZINC000020432617 207191169 /nfs/dbraw/zinc/19/11/69/207191169.db2.gz MVEGREORIPRLMF-LLVKDONJSA-N 0 0 398.120 2.671 10 0 GFAERN COc1ccccc1-c1nn(CCC(=O)N2CCOCC2)c2nc(C)cc(C)c12 ZINC000020437636 207192177 /nfs/dbraw/zinc/19/21/77/207192177.db2.gz FHVOCTFMCWBTRU-UHFFFAOYSA-N 0 0 394.475 2.973 10 0 GFAERN COC(=O)CC1=CC(=O)N(CC(=O)Nc2cccc(OC)c2)c2ccccc2N1 ZINC000064869181 207816524 /nfs/dbraw/zinc/81/65/24/207816524.db2.gz DJIURQJKUSOQGN-UHFFFAOYSA-N 0 0 395.415 2.539 10 0 GFAERN O=C(CCC1=NNC(=O)CC1)N1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000067805435 207909855 /nfs/dbraw/zinc/90/98/55/207909855.db2.gz GDVAEGPMVWZLBM-KRWDZBQOSA-N 0 0 377.448 2.506 10 0 GFAERN CN(C(=O)c1cccc2c1OCCO2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074060 208153343 /nfs/dbraw/zinc/15/33/43/208153343.db2.gz QPEOOVDBRSRJSX-CQSZACIVSA-N 0 0 376.453 2.929 10 0 GFAERN Cc1cc(Cl)nc(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000095090486 208155081 /nfs/dbraw/zinc/15/50/81/208155081.db2.gz ZFIQXSHSRMGQST-UHFFFAOYSA-N 0 0 375.878 2.612 10 0 GFAERN CCC(=O)Oc1ccc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc1OC ZINC000096193569 208283751 /nfs/dbraw/zinc/28/37/51/208283751.db2.gz JPUWOKXQWISWAZ-UHFFFAOYSA-N 0 0 386.408 2.665 10 0 GFAERN CCCCSc1nnc(NC(=O)CCC(=O)N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000027985497 208932034 /nfs/dbraw/zinc/93/20/34/208932034.db2.gz SEROHLPLXXQBPF-RYUDHWBXSA-N 0 0 386.543 2.785 10 0 GFAERN O=c1/c(=C/c2cccc(Br)c2)sc2nc(-c3ccncc3)nn12 ZINC000028629183 208950662 /nfs/dbraw/zinc/95/06/62/208950662.db2.gz IORMELVYZYHPFA-LCYFTJDESA-N 0 0 385.246 2.523 10 0 GFAERN Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)CC(C)C)s1)[C@H](C)C2 ZINC000041085462 209094405 /nfs/dbraw/zinc/09/44/05/209094405.db2.gz QWGSVTGNOXOUSI-GFCCVEGCSA-N 0 0 394.522 2.971 10 0 GFAERN Cc1nc2cc(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)cnc2nc1C ZINC000065307593 136162871 /nfs/dbraw/zinc/16/28/71/136162871.db2.gz VWQFXCYOYZYFKK-MRXNPFEDSA-N 0 0 376.464 2.569 10 0 GFAERN CC[C@H](NC(=O)C1CCN(c2cncnc2NC(C)=O)CC1)c1cccs1 ZINC000096101896 136183723 /nfs/dbraw/zinc/18/37/23/136183723.db2.gz OVJBTKZUCLJCPN-HNNXBMFYSA-N 0 0 387.509 2.980 10 0 GFAERN Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2)nc(N2CCOCC2)n1 ZINC000224225803 136206571 /nfs/dbraw/zinc/20/65/71/136206571.db2.gz WOPRMRXQFHGBRR-UHFFFAOYSA-N 0 0 380.370 2.570 10 0 GFAERN CCN1CCn2c3ccc(C(=O)NCc4cc(F)ccc4F)cc3nc2C1=O ZINC000065172463 222105673 /nfs/dbraw/zinc/10/56/73/222105673.db2.gz RYDJFCKBDWFQFM-UHFFFAOYSA-N 0 0 384.386 2.720 10 0 GFAERN O=C(NC1CC1)c1ccc(OC[C@H]2CCCN(C(=O)c3ccncc3)C2)cc1 ZINC000065179256 222107751 /nfs/dbraw/zinc/10/77/51/222107751.db2.gz GQOIAIGZADSGHF-INIZCTEOSA-N 0 0 379.460 2.905 10 0 GFAERN Cc1cc(Cc2cnc(NC(=O)[C@@H](C)NC(N)=O)s2)ccc1Br ZINC000056081521 551176675 /nfs/dbraw/zinc/17/66/75/551176675.db2.gz NDVWAZXTPUAQJK-SECBINFHSA-N 0 0 397.298 2.800 10 0 GFAERN CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112646583 551206509 /nfs/dbraw/zinc/20/65/09/551206509.db2.gz LFAGCHJOKYAYQC-GFCCVEGCSA-N 0 0 379.258 2.573 10 0 GFAERN Cn1cc([C@@H]2CCN(Cc3nnc(-c4ccc(Br)o4)o3)C2)cn1 ZINC000116312834 551211695 /nfs/dbraw/zinc/21/16/95/551211695.db2.gz UKTADGGBJGUTDP-SNVBAGLBSA-N 0 0 378.230 2.815 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119488806 551216713 /nfs/dbraw/zinc/21/67/13/551216713.db2.gz AYJHKESDUGAVII-UHFFFAOYSA-N 0 0 391.269 2.825 10 0 GFAERN O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)C(=O)N1CCC[C@H]1CO ZINC000120912018 551222527 /nfs/dbraw/zinc/22/25/27/551222527.db2.gz HRGMRTGMGIMNBK-JTQLQIEISA-N 0 0 396.818 2.916 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1Br ZINC000121217748 551229629 /nfs/dbraw/zinc/22/96/29/551229629.db2.gz GSSZYQNSJXJLAF-AWEZNQCLSA-N 0 0 389.315 2.900 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000121344111 551232203 /nfs/dbraw/zinc/23/22/03/551232203.db2.gz BTYGZOUVUMNYEN-LLVKDONJSA-N 0 0 395.535 2.893 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(Br)c(F)c1 ZINC000121469739 551235319 /nfs/dbraw/zinc/23/53/19/551235319.db2.gz FUYDHGXQMIQKLE-CYBMUJFWSA-N 0 0 381.249 2.936 10 0 GFAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000124241093 551312586 /nfs/dbraw/zinc/31/25/86/551312586.db2.gz WNOVHVHEYQGKAT-ZDUSSCGKSA-N 0 0 385.482 2.967 10 0 GFAERN O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130719037 551368379 /nfs/dbraw/zinc/36/83/79/551368379.db2.gz MJPSTQKWDGEPKZ-ZANVPECISA-N 0 0 389.677 2.708 10 0 GFAERN Cc1cnn(CCNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c1 ZINC000135653437 551388511 /nfs/dbraw/zinc/38/85/11/551388511.db2.gz JWNJKPODOIFNID-QGZVFWFLSA-N 0 0 391.313 2.907 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000150885131 551403514 /nfs/dbraw/zinc/40/35/14/551403514.db2.gz RCLCMEXNVMJACC-LSDHHAIUSA-N 0 0 392.253 2.636 10 0 GFAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(I)c(F)c1 ZINC000151122976 551407638 /nfs/dbraw/zinc/40/76/38/551407638.db2.gz SPDKYLMQKJOFKK-MFKMUULPSA-N 0 0 377.197 2.711 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CSC(=S)N1CCC(C)CC1 ZINC000151262296 551409995 /nfs/dbraw/zinc/40/99/95/551409995.db2.gz CXZCLRGYGROAKQ-ZDUSSCGKSA-N 0 0 381.571 2.542 10 0 GFAERN CC(C)CC(=O)N[C@H](C(=O)NCc1ccc(O)c(Br)c1)C(C)C ZINC000151622158 551418050 /nfs/dbraw/zinc/41/80/50/551418050.db2.gz RPSGMFLIRXJEIS-INIZCTEOSA-N 0 0 385.302 2.958 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000151725103 551419820 /nfs/dbraw/zinc/41/98/20/551419820.db2.gz RBBMGVVQDWYOKO-ZDUSSCGKSA-N 0 0 375.281 2.848 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153372284 551451238 /nfs/dbraw/zinc/45/12/38/551451238.db2.gz MMHGRUKDERLUNQ-IAQYHMDHSA-N 0 0 382.482 2.748 10 0 GFAERN Cc1cnn(CCNS(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000154020619 551465502 /nfs/dbraw/zinc/46/55/02/551465502.db2.gz WIGYWYBJYDRGEE-UHFFFAOYSA-N 0 0 378.679 2.586 10 0 GFAERN CC(C)[C@@H](O)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000154388877 551474253 /nfs/dbraw/zinc/47/42/53/551474253.db2.gz ZDCXWMDIRJWMLJ-ZDUSSCGKSA-N 0 0 375.332 2.562 10 0 GFAERN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000154512359 551477030 /nfs/dbraw/zinc/47/70/30/551477030.db2.gz JFCUOLVLDSRKHT-YOEHRIQHSA-N 0 0 381.314 2.561 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CSCc1ccc(Cl)cc1 ZINC000155103900 551491198 /nfs/dbraw/zinc/49/11/98/551491198.db2.gz IJMCJDVMZAIWBG-CQSZACIVSA-N 0 0 380.901 2.962 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1cccc(Br)c1 ZINC000155171518 551493416 /nfs/dbraw/zinc/49/34/16/551493416.db2.gz LQQCHTXMJVBMTB-AWEZNQCLSA-N 0 0 393.285 2.771 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Br)cc1F ZINC000155180184 551493533 /nfs/dbraw/zinc/49/35/33/551493533.db2.gz GZJGHCCKJSQHNX-LBPRGKRZSA-N 0 0 383.221 2.591 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C[C@@H](C)O1 ZINC000155304662 551497021 /nfs/dbraw/zinc/49/70/21/551497021.db2.gz YIWSFHKYTBTCCN-RKDXNWHRSA-N 0 0 375.650 2.677 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000155619214 551504173 /nfs/dbraw/zinc/50/41/73/551504173.db2.gz GKMZYXGOWRHOAI-MEBBXXQBSA-N 0 0 379.254 2.572 10 0 GFAERN COc1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)cc1I ZINC000156133803 551515267 /nfs/dbraw/zinc/51/52/67/551515267.db2.gz UQSQKNVVOCKANW-UWVGGRQHSA-N 0 0 375.206 2.549 10 0 GFAERN Cc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c(C)cc1Br ZINC000156613762 551526282 /nfs/dbraw/zinc/52/62/82/551526282.db2.gz DIEPRMXUHDLFKI-CQSZACIVSA-N 0 0 378.270 2.804 10 0 GFAERN OC[C@H]1CCCN1c1cc(NC[C@@H](O)c2c(Cl)cccc2Cl)ncn1 ZINC000156855448 551529523 /nfs/dbraw/zinc/52/95/23/551529523.db2.gz HOMOSBKNEFQNGL-BXUZGUMPSA-N 0 0 383.279 2.890 10 0 GFAERN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](c3nc(C)cs3)C2)c(C)o1 ZINC000167028484 551632844 /nfs/dbraw/zinc/63/28/44/551632844.db2.gz OLSQLJZEIBEULA-LBPRGKRZSA-N 0 0 384.479 2.708 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(I)cc1Cl ZINC000170755887 551638929 /nfs/dbraw/zinc/63/89/29/551638929.db2.gz PKQZDESNHSGHKQ-JGVFFNPUSA-N 0 0 379.581 2.692 10 0 GFAERN C[C@@H](NC(=O)Nc1ccc2scnc2c1)c1ccc(S(N)(=O)=O)cc1 ZINC000171374738 551653997 /nfs/dbraw/zinc/65/39/97/551653997.db2.gz QAJHRJIHTBWNKR-SNVBAGLBSA-N 0 0 376.463 2.826 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 ZINC000171467217 551656327 /nfs/dbraw/zinc/65/63/27/551656327.db2.gz KPKJMOMAHSMVJU-WDEREUQCSA-N 0 0 388.233 2.767 10 0 GFAERN Brc1ccccc1-c1nnc(CN2CCC[C@H](n3cncn3)C2)o1 ZINC000171528563 551657275 /nfs/dbraw/zinc/65/72/75/551657275.db2.gz BFLZSXZFJOHBAV-LBPRGKRZSA-N 0 0 389.257 2.928 10 0 GFAERN CC(C)n1ccnc1CS(=O)(=O)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000171674938 551660832 /nfs/dbraw/zinc/66/08/32/551660832.db2.gz LOSRTWQLXUYIBD-CYBMUJFWSA-N 0 0 383.901 2.737 10 0 GFAERN Cc1cc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)ccc1Br ZINC000171702225 551661525 /nfs/dbraw/zinc/66/15/25/551661525.db2.gz SSILTIVSTABOFV-CQSZACIVSA-N 0 0 378.274 2.625 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)NCCSC(F)(F)F)CC2)cs1 ZINC000172115939 551670771 /nfs/dbraw/zinc/67/07/71/551670771.db2.gz QLPZXNYDTODKAP-UHFFFAOYSA-N 0 0 382.477 2.922 10 0 GFAERN CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1ccc(Cl)nc1Cl)C2 ZINC000172103994 551671053 /nfs/dbraw/zinc/67/10/53/551671053.db2.gz CLVNCFCTRCTHPV-UHFFFAOYSA-N 0 0 389.308 2.992 10 0 GFAERN Cc1ccc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000172339627 551676751 /nfs/dbraw/zinc/67/67/51/551676751.db2.gz SDIWHDMFKIDHLO-AAEUAGOBSA-N 0 0 381.523 2.695 10 0 GFAERN O=C(CCSc1nc2ccccc2s1)N1CC[C@H](N2CCOCC2)C1 ZINC000172761286 551686330 /nfs/dbraw/zinc/68/63/30/551686330.db2.gz FVZAEHPSGWVGMX-AWEZNQCLSA-N 0 0 377.535 2.712 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)C(C)(C)c3ccc(Br)cc3)CCO2)[nH]1 ZINC000173086501 551695465 /nfs/dbraw/zinc/69/54/65/551695465.db2.gz KOMFMCYWVKEEBT-CQSZACIVSA-N 0 0 393.285 2.753 10 0 GFAERN C[C@@H](C(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccc(Br)s1 ZINC000173334062 552083343 /nfs/dbraw/zinc/08/33/43/552083343.db2.gz NVRWSOVFZBEBAY-VXGBXAGGSA-N 0 0 384.299 2.738 10 0 GFAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1sccc1Br ZINC000173829724 552093162 /nfs/dbraw/zinc/09/31/62/552093162.db2.gz HKKDNBIXVMATKC-GHMZBOCLSA-N 0 0 379.345 2.758 10 0 GFAERN CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000174149037 552100795 /nfs/dbraw/zinc/10/07/95/552100795.db2.gz QSNWRJQOHYWESQ-SECBINFHSA-N 0 0 385.288 2.981 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(Br)c(OC)c1)CC2 ZINC000175011059 552113496 /nfs/dbraw/zinc/11/34/96/552113496.db2.gz WZPFOXQTQPURRO-NSHDSACASA-N 0 0 394.273 2.748 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C[C@H](C)O1 ZINC000175953434 552133223 /nfs/dbraw/zinc/13/32/23/552133223.db2.gz RJQCGNHSDKAKSS-YUMQZZPRSA-N 0 0 393.640 2.816 10 0 GFAERN Cc1ccc([C@H](CNC(=O)CSc2ccncc2)N2CCOCC2)s1 ZINC000176570232 552142006 /nfs/dbraw/zinc/14/20/06/552142006.db2.gz LIHYZCNPKQVMFF-INIZCTEOSA-N 0 0 377.535 2.733 10 0 GFAERN CCOC(=O)[C@H](N[C@H]1CCCn2ncnc21)c1ccc(Br)cc1F ZINC000176687172 552144296 /nfs/dbraw/zinc/14/42/96/552144296.db2.gz AMPZWIFLHAKKFZ-UONOGXRCSA-N 0 0 397.248 2.909 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc(C)c(Br)c3)CCO2)[nH]1 ZINC000176993047 552148767 /nfs/dbraw/zinc/14/87/67/552148767.db2.gz HHYTULTZBNFXHV-ZDUSSCGKSA-N 0 0 380.246 2.789 10 0 GFAERN CCC(=O)NCc1cc(S(=O)(=O)N[C@@H](C)c2cccs2)ccc1OC ZINC000178617508 552173284 /nfs/dbraw/zinc/17/32/84/552173284.db2.gz QUQQXZLMLLUSLU-LBPRGKRZSA-N 0 0 382.507 2.822 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)Nc3ccc(Br)nc3)CC2)s1 ZINC000178812571 552176052 /nfs/dbraw/zinc/17/60/52/552176052.db2.gz WDENJVZSIUSEAO-UHFFFAOYSA-N 0 0 396.314 2.959 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000179236651 552187891 /nfs/dbraw/zinc/18/78/91/552187891.db2.gz YCVIHIQDLXQMRS-QMTHXVAHSA-N 0 0 379.254 2.572 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cc(I)c(F)cc1F ZINC000179235560 552188013 /nfs/dbraw/zinc/18/80/13/552188013.db2.gz HFMZHYPCTDMKQC-SDBXPKJASA-N 0 0 395.187 2.850 10 0 GFAERN Cc1ccc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c(Br)n1 ZINC000179407297 552192142 /nfs/dbraw/zinc/19/21/42/552192142.db2.gz LJNYMHKBWPAEMK-NSHDSACASA-N 0 0 378.274 2.612 10 0 GFAERN CS(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1Br ZINC000179486816 552194578 /nfs/dbraw/zinc/19/45/78/552194578.db2.gz MKBWMNSCEAICGW-CYBMUJFWSA-N 0 0 396.262 2.716 10 0 GFAERN CSc1nsc(NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)n1 ZINC000179513047 552195217 /nfs/dbraw/zinc/19/52/17/552195217.db2.gz RLWNUTXFMCOGSR-JTQLQIEISA-N 0 0 379.515 2.947 10 0 GFAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179679115 552200000 /nfs/dbraw/zinc/20/00/00/552200000.db2.gz VFZQDDRZTQBTRL-LBPRGKRZSA-N 0 0 376.360 2.619 10 0 GFAERN FC(F)Oc1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1Br ZINC000179779456 552202955 /nfs/dbraw/zinc/20/29/55/552202955.db2.gz MIHCZHFPOCBGEE-ZDUSSCGKSA-N 0 0 391.256 2.957 10 0 GFAERN O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N[C@H]1COc2ccccc21 ZINC000179913054 552207229 /nfs/dbraw/zinc/20/72/29/552207229.db2.gz MJMNMRPYODLBOH-LBPRGKRZSA-N 0 0 397.175 2.916 10 0 GFAERN C[C@@H](NC(=O)NC[C@H]1COC2(CCOCC2)O1)c1ccccc1Br ZINC000180219937 552217909 /nfs/dbraw/zinc/21/79/09/552217909.db2.gz TXSGRMANFMDXTJ-OLZOCXBDSA-N 0 0 399.285 2.731 10 0 GFAERN CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000180532721 552229250 /nfs/dbraw/zinc/22/92/50/552229250.db2.gz HJXUUIRAOZSVBK-LLVKDONJSA-N 0 0 383.363 2.965 10 0 GFAERN CC(C)(CCS(C)(=O)=O)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000180548316 552229552 /nfs/dbraw/zinc/22/95/52/552229552.db2.gz XUXKTTUWSLHRQK-CYBMUJFWSA-N 0 0 380.432 2.673 10 0 GFAERN C[C@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1ccccc1Br ZINC000181574131 552261673 /nfs/dbraw/zinc/26/16/73/552261673.db2.gz PCZROEPJHQFNEN-ZDUSSCGKSA-N 0 0 397.313 2.902 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cccc(Br)n3)C2)n1 ZINC000182633416 552289440 /nfs/dbraw/zinc/28/94/40/552289440.db2.gz ZSSNVDDTIXEENT-ZDUSSCGKSA-N 0 0 378.274 2.605 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(Br)nc2)C1 ZINC000183236986 552303707 /nfs/dbraw/zinc/30/37/07/552303707.db2.gz BAFVLOGSMKWCTN-LLVKDONJSA-N 0 0 379.262 2.867 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)c2cc(Br)cn2C(C)C)n1 ZINC000183768084 552319166 /nfs/dbraw/zinc/31/91/66/552319166.db2.gz SCZHAXBKFQMSPX-CYBMUJFWSA-N 0 0 383.246 2.737 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000184711268 552342978 /nfs/dbraw/zinc/34/29/78/552342978.db2.gz ZTYCRZPSWJZEQK-XJKSGUPXSA-N 0 0 384.318 2.608 10 0 GFAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2cc(F)c(C)cc2F)C12CCOCC2 ZINC000185146981 552355100 /nfs/dbraw/zinc/35/51/00/552355100.db2.gz JDDXITLHEGNVOB-HOTGVXAUSA-N 0 0 375.437 2.526 10 0 GFAERN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000186660170 552394040 /nfs/dbraw/zinc/39/40/40/552394040.db2.gz KXUHDXOKNWVBMO-CQSZACIVSA-N 0 0 383.286 2.769 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)COc2ccc(Br)cc2)C12CCOCC2 ZINC000187133590 552407219 /nfs/dbraw/zinc/40/72/19/552407219.db2.gz NMAOMCOZEQHOBU-HZPDHXFCSA-N 0 0 398.297 2.918 10 0 GFAERN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC[C@@H](n2cncn2)C1 ZINC000187917350 552427804 /nfs/dbraw/zinc/42/78/04/552427804.db2.gz KVWKSZMRIIJRDC-SECBINFHSA-N 0 0 379.244 2.750 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2ccc(F)cc2Br)C[C@H]1C ZINC000188165797 552437727 /nfs/dbraw/zinc/43/77/27/552437727.db2.gz JJLLDHGZHVEGLM-CYBMUJFWSA-N 0 0 387.293 2.700 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)c2nc(Br)cs2)C12CCOCC2 ZINC000189010368 552460854 /nfs/dbraw/zinc/46/08/54/552460854.db2.gz RQFYHGCWPCNORP-ZJUUUORDSA-N 0 0 375.288 2.610 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NOCc1ccc(F)cc1Br ZINC000189192095 552465658 /nfs/dbraw/zinc/46/56/58/552465658.db2.gz DAFRFUXWVKXEDF-ZDUSSCGKSA-N 0 0 398.236 2.754 10 0 GFAERN C[C@@H](CN(C)C(=O)NC[C@@H]1CN(C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366107 552469547 /nfs/dbraw/zinc/46/95/47/552469547.db2.gz RZMWRBWCBRUNEX-GXTWGEPZSA-N 0 0 390.311 2.733 10 0 GFAERN COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000189881715 552481894 /nfs/dbraw/zinc/48/18/94/552481894.db2.gz ONSQUBJUIDWXFA-ZWNOBZJWSA-N 0 0 394.273 2.945 10 0 GFAERN COC(=O)[C@@H](C)N(C[C@H](O)COc1cccc(Br)c1)C1CCC1 ZINC000190089518 552487201 /nfs/dbraw/zinc/48/72/01/552487201.db2.gz WPACBQBJUXYPQF-DOMZBBRYSA-N 0 0 386.286 2.605 10 0 GFAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000190758117 552508070 /nfs/dbraw/zinc/50/80/70/552508070.db2.gz CRROPJMUKLTVFW-SMDDNHRTSA-N 0 0 379.258 2.843 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000191548149 552531384 /nfs/dbraw/zinc/53/13/84/552531384.db2.gz JRKKRXJXLRTJTR-LLVKDONJSA-N 0 0 377.238 2.745 10 0 GFAERN CCn1cc([C@H]2CN(Cc3cc4c(c(Br)c3)OCO4)CCO2)cn1 ZINC000191713460 552535721 /nfs/dbraw/zinc/53/57/21/552535721.db2.gz VDENIYFOHZQEEA-MRXNPFEDSA-N 0 0 394.269 2.968 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Cc3ccc(Br)s3)CCO2)cn1 ZINC000191775980 552537403 /nfs/dbraw/zinc/53/74/03/552537403.db2.gz BWGHWSQRBAQSRW-ZDUSSCGKSA-N 0 0 384.299 2.870 10 0 GFAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000192075271 552549889 /nfs/dbraw/zinc/54/98/89/552549889.db2.gz RUYPLRQQFACFET-CABZTGNLSA-N 0 0 375.252 2.608 10 0 GFAERN CCCCCS(=O)(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192232904 552557196 /nfs/dbraw/zinc/55/71/96/552557196.db2.gz AUYIILJZIYZDDQ-MRXNPFEDSA-N 0 0 376.563 2.634 10 0 GFAERN CNC(=O)[C@H](NC(=O)N[C@H](C)CCc1ccc(Br)cc1)C(C)C ZINC000192659617 552971218 /nfs/dbraw/zinc/97/12/18/552971218.db2.gz VPHDAHPZPQNAJR-IUODEOHRSA-N 0 0 384.318 2.840 10 0 GFAERN Cc1nc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)ccc1Br ZINC000192821895 552975186 /nfs/dbraw/zinc/97/51/86/552975186.db2.gz NEYVGSCRDLPDBQ-ZDUSSCGKSA-N 0 0 390.237 2.731 10 0 GFAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000193271362 552988292 /nfs/dbraw/zinc/98/82/92/552988292.db2.gz UNMZUUUEUBOGCO-NXEZZACHSA-N 0 0 399.460 2.577 10 0 GFAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000193271374 552988389 /nfs/dbraw/zinc/98/83/89/552988389.db2.gz UNMZUUUEUBOGCO-ZJUUUORDSA-N 0 0 399.460 2.577 10 0 GFAERN CCCCOC[C@H](O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000193367245 552991022 /nfs/dbraw/zinc/99/10/22/552991022.db2.gz BLNSGWCXXPRRGS-CQSZACIVSA-N 0 0 391.375 2.806 10 0 GFAERN CC(C)(C)c1csc([C@@H]2CN(S(=O)(=O)CC3CCOCC3)CCO2)n1 ZINC000193954412 553008263 /nfs/dbraw/zinc/00/82/63/553008263.db2.gz NHUROZUZOUQAGH-AWEZNQCLSA-N 0 0 388.555 2.570 10 0 GFAERN O=C(Nc1nnc(C(F)(F)F)s1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000194137273 553012652 /nfs/dbraw/zinc/01/26/52/553012652.db2.gz JQGBVQMRXZIOGX-QMMMGPOBSA-N 0 0 392.384 2.597 10 0 GFAERN CCOc1ccnc(N2CCN(c3ncc(C)cc3Br)CC2)n1 ZINC000194317539 553017804 /nfs/dbraw/zinc/01/78/04/553017804.db2.gz XRHOWEJLGZSWPK-UHFFFAOYSA-N 0 0 378.274 2.668 10 0 GFAERN CN1CCO[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000194621194 553025700 /nfs/dbraw/zinc/02/57/00/553025700.db2.gz KPGZCXYWYXMWOL-MRXNPFEDSA-N 0 0 381.314 2.708 10 0 GFAERN O=C(NC1CCSCC1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000194790668 553029669 /nfs/dbraw/zinc/02/96/69/553029669.db2.gz NJUCSLAGQDFDGU-MRXNPFEDSA-N 0 0 375.519 2.695 10 0 GFAERN C[C@@H](NC(=O)c1ncccc1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000194880828 553032548 /nfs/dbraw/zinc/03/25/48/553032548.db2.gz HOVRGUOTNAWANY-SNVBAGLBSA-N 0 0 383.267 2.739 10 0 GFAERN COc1ccc(Br)c(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000195257707 553043313 /nfs/dbraw/zinc/04/33/13/553043313.db2.gz BBCCSBHIJNHAHZ-NSHDSACASA-N 0 0 393.285 2.917 10 0 GFAERN COc1cc(Br)ccc1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195283974 553043740 /nfs/dbraw/zinc/04/37/40/553043740.db2.gz WACSMWFOGABJIJ-LBPRGKRZSA-N 0 0 393.285 2.917 10 0 GFAERN O=C(N[C@@H]1CCC[C@@H](O)C1)c1ccc(I)c(Cl)c1 ZINC000226777651 553061939 /nfs/dbraw/zinc/06/19/39/553061939.db2.gz SDBKPAFHZJMORI-NXEZZACHSA-N 0 0 379.625 2.978 10 0 GFAERN O=C(N[C@H]1CCC[C@H](O)C1)c1ccc(I)c(Cl)c1 ZINC000226777670 553062168 /nfs/dbraw/zinc/06/21/68/553062168.db2.gz SDBKPAFHZJMORI-UWVGGRQHSA-N 0 0 379.625 2.978 10 0 GFAERN C[C@H](C[C@H](O)c1cccs1)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000246698275 553111759 /nfs/dbraw/zinc/11/17/59/553111759.db2.gz MSOYLGPMIANUHT-COJSNBRMSA-N 0 0 385.551 2.875 10 0 GFAERN CN(C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000248046749 553127114 /nfs/dbraw/zinc/12/71/14/553127114.db2.gz VIGRJYJZQPISEA-ZKYQVNSYSA-N 0 0 391.320 2.925 10 0 GFAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CCN1C[C@H](C)O ZINC000248658203 553132748 /nfs/dbraw/zinc/13/27/48/553132748.db2.gz XTBBPUNSINUFDS-QWHCGFSZSA-N 0 0 392.974 2.528 10 0 GFAERN CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCN1C[C@H](C)O ZINC000248849621 553136162 /nfs/dbraw/zinc/13/61/62/553136162.db2.gz SSKHZAPHKHRPES-QWRGUYRKSA-N 0 0 391.256 2.645 10 0 GFAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000248905411 553137132 /nfs/dbraw/zinc/13/71/32/553137132.db2.gz YEMOEFPTOOJNCT-KGLIPLIRSA-N 0 0 386.901 2.594 10 0 GFAERN CC[C@@H]1CN(C(=O)c2csc(Br)c2C)CCN1C[C@H](C)O ZINC000249284035 553141388 /nfs/dbraw/zinc/14/13/88/553141388.db2.gz HPLTXUVGMDTDDP-CMPLNLGQSA-N 0 0 375.332 2.736 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000262873014 553177977 /nfs/dbraw/zinc/17/79/77/553177977.db2.gz DCMZSXAVRKJQTA-LBPRGKRZSA-N 0 0 379.507 2.883 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000263005844 553180610 /nfs/dbraw/zinc/18/06/10/553180610.db2.gz XUWLYRMGXVLTCF-UHFFFAOYSA-N 0 0 375.288 2.522 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc3ccc(Br)cc3[nH]2)C1 ZINC000263098375 553182421 /nfs/dbraw/zinc/18/24/21/553182421.db2.gz INYVKDGZBKWTCN-UHFFFAOYSA-N 0 0 394.269 2.598 10 0 GFAERN CC1(C)NC(=O)CC[C@H]1NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000370213259 563236934 /nfs/dbraw/zinc/23/69/34/563236934.db2.gz SZBHWOOPHPRFSQ-QWHCGFSZSA-N 0 0 396.285 2.629 10 0 GFAERN C[C@@H]1CN([C@H](CNc2ncc(C(N)=O)cc2Cl)c2cccs2)CCO1 ZINC000301197325 563395903 /nfs/dbraw/zinc/39/59/03/563395903.db2.gz KTMFVAPQWTULDB-BXUZGUMPSA-N 0 0 380.901 2.769 10 0 GFAERN COC(=O)Cn1ncc2c1ncnc2Nc1ccc(Br)c(OC)c1 ZINC000301488268 563405347 /nfs/dbraw/zinc/40/53/47/563405347.db2.gz ZPCGOZMWEQKIEI-UHFFFAOYSA-N 0 0 392.213 2.514 10 0 GFAERN CC(C)n1cc(C[C@@H]2NC(=O)N(Cc3csc(Br)c3)C2=O)nn1 ZINC000328610683 563461456 /nfs/dbraw/zinc/46/14/56/563461456.db2.gz ITLLUMSWSIOTTJ-NSHDSACASA-N 0 0 398.286 2.551 10 0 GFAERN COC(=O)c1nn(CC(F)(F)F)c(N)c1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000725254317 570272511 /nfs/dbraw/zinc/27/25/11/570272511.db2.gz FGXNUIGGFXGDBE-VIFPVBQESA-N 0 0 392.378 2.539 10 0 GFAERN CCOC(=O)c1c[nH]c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)nn2c1=O ZINC000390822489 570493266 /nfs/dbraw/zinc/49/32/66/570493266.db2.gz ASLWZCCWFUJDFQ-UHFFFAOYSA-N 0 0 390.440 2.726 10 0 GFAERN CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n21 ZINC000147180128 570514246 /nfs/dbraw/zinc/51/42/46/570514246.db2.gz WYQFJHHDOKWSHR-MNOVXSKESA-N 0 0 380.374 2.908 10 0 in-man GFAERN COCCNC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1 ZINC000065005875 570645509 /nfs/dbraw/zinc/64/55/09/570645509.db2.gz QIUTZJIIVYERQD-UHFFFAOYSA-N 0 0 385.464 2.710 10 0 GFAERN Cc1sc2ccn(C)c(=O)c2c1C(=O)NCCN1CCc2ccccc2C1 ZINC000097097967 570664362 /nfs/dbraw/zinc/66/43/62/570664362.db2.gz ZVTPTNXHJDJISU-UHFFFAOYSA-N 0 0 381.501 2.697 10 0 GFAERN Cc1ccccc1C1=NO[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)C)C1 ZINC000006872528 570664379 /nfs/dbraw/zinc/66/43/79/570664379.db2.gz AKYRJQZOYXQNHF-SFTDATJTSA-N 0 0 393.487 2.740 10 0 GFAERN O=C(NC[C@H]1CCCO1)c1ncoc1-c1ccccc1C(=O)N1CCCCC1 ZINC000065079966 570683072 /nfs/dbraw/zinc/68/30/72/570683072.db2.gz ZRBVUQLJQQUWNN-OAHLLOKOSA-N 0 0 383.448 2.877 10 0 GFAERN CC(=O)N1CCc2c(ncn(CCOc3ccc(Cl)cc3Cl)c2=O)C1 ZINC000275702805 570698494 /nfs/dbraw/zinc/69/84/94/570698494.db2.gz XUVBTQLIKNHKSJ-UHFFFAOYSA-N 0 0 382.247 2.534 10 0 GFAERN CC(C)N1CCN(Cc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)C(=O)C1=O ZINC000065129804 570704563 /nfs/dbraw/zinc/70/45/63/570704563.db2.gz YBRQCXSOUOSXEM-QGZVFWFLSA-N 0 0 393.487 2.757 10 0 GFAERN CCn1cc(CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)c2cccnc21 ZINC000065156713 570714677 /nfs/dbraw/zinc/71/46/77/570714677.db2.gz ZADXATNJIMQZEP-UHFFFAOYSA-N 0 0 386.477 2.536 10 0 GFAERN Cc1cccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCCCCC2)c1 ZINC000065152526 570716689 /nfs/dbraw/zinc/71/66/89/570716689.db2.gz BMLYCTIKHQNQJF-UHFFFAOYSA-N 0 0 376.482 2.546 10 0 GFAERN Cc1nc(C)c(CN[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)nc1C ZINC000012590465 570883638 /nfs/dbraw/zinc/88/36/38/570883638.db2.gz RBGBXJWEVHFGNJ-GOSISDBHSA-N 0 0 396.539 2.832 10 0 GFAERN C[C@@H](NC(=O)c1csc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000037498790 654615357 /nfs/dbraw/zinc/61/53/57/654615357.db2.gz JPBBILLIWNXHQD-MRVPVSSYSA-N 0 0 389.296 2.649 10 0 GFAERN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046496059 654681853 /nfs/dbraw/zinc/68/18/53/654681853.db2.gz IKVBUCSDCJEXIW-KBPBESRZSA-N 0 0 377.384 2.764 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000122316024 654733597 /nfs/dbraw/zinc/73/35/97/654733597.db2.gz OJRGMQASTHJRAZ-HNNXBMFYSA-N 0 0 392.253 2.803 10 0 GFAERN Cc1nc(CC(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)c(C)s1 ZINC000123722797 654761921 /nfs/dbraw/zinc/76/19/21/654761921.db2.gz FKDQWRNUAPWNEF-MLGOLLRUSA-N 0 0 379.551 2.942 10 0 GFAERN C[C@H]1CN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C[C@H](C)O1 ZINC000125526041 654796623 /nfs/dbraw/zinc/79/66/23/654796623.db2.gz DKVLCGHFDTYLBN-UWVGGRQHSA-N 0 0 375.782 2.944 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)NCc3ccc(O)c(Br)c3)C2)cn1 ZINC000126226539 654810846 /nfs/dbraw/zinc/81/08/46/654810846.db2.gz DAEMGGWMHZPDJI-LBPRGKRZSA-N 0 0 379.258 2.587 10 0 GFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000130444762 654888071 /nfs/dbraw/zinc/88/80/71/654888071.db2.gz KHIACORDMBKRKU-GFCCVEGCSA-N 0 0 393.285 2.793 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000065873703 654889483 /nfs/dbraw/zinc/88/94/83/654889483.db2.gz QTPLLVOCHZVRLE-LLVKDONJSA-N 0 0 377.238 2.966 10 0 GFAERN COCCOCCC(=O)O[C@@H](C)c1ccc(I)cc1 ZINC000066232369 654897017 /nfs/dbraw/zinc/89/70/17/654897017.db2.gz OESUVLCRRMSVHV-NSHDSACASA-N 0 0 378.206 2.949 10 0 GFAERN O=C(Cc1cc(Cl)ccc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000132332497 654934080 /nfs/dbraw/zinc/93/40/80/654934080.db2.gz CXAJVTVQDTXFCQ-CQSZACIVSA-N 0 0 398.688 2.769 10 0 GFAERN CCOc1cc(Br)ccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000132989365 654951333 /nfs/dbraw/zinc/95/13/33/654951333.db2.gz REAXCLKWJCUETN-NSHDSACASA-N 0 0 380.246 2.576 10 0 GFAERN C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)c([O-])c(Br)c2)C1 ZINC000133051929 654953530 /nfs/dbraw/zinc/95/35/30/654953530.db2.gz LZXBSRLGKVPGTN-VIFPVBQESA-N 0 0 392.091 2.693 10 0 GFAERN COc1cc(C(=O)N[C@H](C)c2nnc3n2CCCC3)sc1Br ZINC000133229277 654957352 /nfs/dbraw/zinc/95/73/52/654957352.db2.gz HVBMMONPYPZNEF-MRVPVSSYSA-N 0 0 385.287 2.938 10 0 GFAERN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(N)=O)c1ccc(Br)cc1 ZINC000068776009 654967759 /nfs/dbraw/zinc/96/77/59/654967759.db2.gz SHTWTCBBIXZPPZ-BLLLJJGKSA-N 0 0 390.281 2.906 10 0 GFAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000133942393 654978121 /nfs/dbraw/zinc/97/81/21/654978121.db2.gz PDBXQEKHIMBGOM-NSHDSACASA-N 0 0 389.175 2.804 10 0 GFAERN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000134343118 654991524 /nfs/dbraw/zinc/99/15/24/654991524.db2.gz DDUAPSNXZDCBGE-TZMCWYRMSA-N 0 0 377.286 2.741 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(Br)ccc1F ZINC000134989239 655007000 /nfs/dbraw/zinc/00/70/00/655007000.db2.gz OZKDMAHNRBUYSA-NSHDSACASA-N 0 0 398.236 2.983 10 0 GFAERN C[C@H](NC(=O)Cc1ccc(F)c(Br)c1)c1nnc2n1CCCC2 ZINC000135419662 655016176 /nfs/dbraw/zinc/01/61/76/655016176.db2.gz JPLLZZOEYNRFDR-JTQLQIEISA-N 0 0 381.249 2.936 10 0 GFAERN COCCN1CCN(C(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1=O ZINC000093293445 655018349 /nfs/dbraw/zinc/01/83/49/655018349.db2.gz ZLWYTAPQCBDHOZ-SNVBAGLBSA-N 0 0 392.258 2.694 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000136460712 655032001 /nfs/dbraw/zinc/03/20/01/655032001.db2.gz NCZLZXSNNHTFDJ-GFCCVEGCSA-N 0 0 384.209 2.620 10 0 GFAERN C[C@@H](CNC(=O)NCC(C)(C)c1cccc(Br)c1)N1CCOCC1 ZINC000101980887 655049248 /nfs/dbraw/zinc/04/92/48/655049248.db2.gz WTOILPKYXFNJSH-AWEZNQCLSA-N 0 0 398.345 2.747 10 0 GFAERN C[C@@H](C(=O)Oc1ccc(F)cc1Br)N1C(=O)NC2(CCCC2)C1=O ZINC000102324342 655053676 /nfs/dbraw/zinc/05/36/76/655053676.db2.gz ISOVLAGSNMVSEG-VIFPVBQESA-N 0 0 399.216 2.747 10 0 GFAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1Cl ZINC000104736507 655084935 /nfs/dbraw/zinc/08/49/35/655084935.db2.gz FGXQRFOPMVESDP-GJZGRUSLSA-N 0 0 390.864 2.770 10 0 GFAERN C[C@H](OC(=O)CCCS(C)(=O)=O)c1ccc(I)cc1 ZINC000108939508 655139440 /nfs/dbraw/zinc/13/94/40/655139440.db2.gz UDFVHTKWRQHIAJ-JTQLQIEISA-N 0 0 396.246 2.720 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cccc(Cl)n2)CC1 ZINC000109666507 655150071 /nfs/dbraw/zinc/15/00/71/655150071.db2.gz KOZLETYJEGVBDH-UHFFFAOYSA-N 0 0 382.295 2.642 10 0 GFAERN CCCn1cc(CN2CCCN(C(=O)c3coc(Br)c3)CC2)cn1 ZINC000109664861 655150127 /nfs/dbraw/zinc/15/01/27/655150127.db2.gz INDSQIDWMXUMOU-UHFFFAOYSA-N 0 0 395.301 2.997 10 0 GFAERN Cc1ccc(I)c(C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000109678975 655150167 /nfs/dbraw/zinc/15/01/67/655150167.db2.gz UDGQWQNQGKUDQT-GFCCVEGCSA-N 0 0 396.232 2.668 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000172599621 655158816 /nfs/dbraw/zinc/15/88/16/655158816.db2.gz GOSXNFXPHYSTTD-XDTLVQLUSA-N 0 0 393.292 2.883 10 0 GFAERN CC(C)c1n[nH]c(C(=O)N2CCO[C@@H](c3nccs3)C2)c1Br ZINC000110883768 655161031 /nfs/dbraw/zinc/16/10/31/655161031.db2.gz UAUWYKMMPTXABT-SECBINFHSA-N 0 0 385.287 2.966 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3ccccc3Br)CCO2)n1 ZINC000110905814 655161715 /nfs/dbraw/zinc/16/17/15/655161715.db2.gz LCXHIWJICPQAEJ-MRXNPFEDSA-N 0 0 392.297 2.733 10 0 GFAERN CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1ccccc1Br ZINC000173053767 655162451 /nfs/dbraw/zinc/16/24/51/655162451.db2.gz QEFVPAOGZLTYGV-CQSZACIVSA-N 0 0 399.285 2.701 10 0 GFAERN O=C(c1cc2ccc(Br)cc2[nH]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111084556 655164226 /nfs/dbraw/zinc/16/42/26/655164226.db2.gz NBECBVKZUDALKK-CQSZACIVSA-N 0 0 389.253 2.668 10 0 GFAERN COC[C@@H](C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000111108527 655164415 /nfs/dbraw/zinc/16/44/15/655164415.db2.gz QCFFFTXTTRLLQA-GFCCVEGCSA-N 0 0 376.316 2.960 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C)CCO2)n1 ZINC000111345076 655169399 /nfs/dbraw/zinc/16/93/99/655169399.db2.gz LKPSRTGSNQJHKT-HNNXBMFYSA-N 0 0 383.901 2.551 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@@H]1N1CCOCC1 ZINC000173403435 655170045 /nfs/dbraw/zinc/17/00/45/655170045.db2.gz DENRGNPFTZLMHV-AAEUAGOBSA-N 0 0 381.885 2.849 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(Br)cc3C)CCO2)c1 ZINC000112062979 655181290 /nfs/dbraw/zinc/18/12/90/655181290.db2.gz RZCIVIQJSLUDMR-HNNXBMFYSA-N 0 0 378.270 2.804 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(Br)cnc1N(C)C ZINC000175725899 655226132 /nfs/dbraw/zinc/22/61/32/655226132.db2.gz CARRJGDDNVLDBR-JTQLQIEISA-N 0 0 386.290 2.712 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000114874724 655230084 /nfs/dbraw/zinc/23/00/84/655230084.db2.gz JEQHZRCNIDBNAZ-NSHDSACASA-N 0 0 389.308 2.582 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1nnc(-c3ccsc3)s1)CC2 ZINC000114903928 655230272 /nfs/dbraw/zinc/23/02/72/655230272.db2.gz PVPLIMSVZRLSAM-JTQLQIEISA-N 0 0 375.483 2.557 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cc(F)cc(Br)c1)CC2 ZINC000114939341 655230556 /nfs/dbraw/zinc/23/05/56/655230556.db2.gz JONYGQHUWOBIEG-CYBMUJFWSA-N 0 0 396.264 2.556 10 0 GFAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000115378561 655236580 /nfs/dbraw/zinc/23/65/80/655236580.db2.gz DRYDHUPDDDVNFQ-LBPRGKRZSA-N 0 0 375.479 2.522 10 0 GFAERN COCCN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@@H]1C ZINC000117291175 655263185 /nfs/dbraw/zinc/26/31/85/655263185.db2.gz NXPAAHDQVRODGE-AWEZNQCLSA-N 0 0 381.314 2.660 10 0 GFAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cc4cc(Cl)ccc4s3)CCO2)[nH]1 ZINC000176950311 655263539 /nfs/dbraw/zinc/26/35/39/655263539.db2.gz DHUCBAKLYTVYRO-GFCCVEGCSA-N 0 0 398.897 2.743 10 0 GFAERN COc1cc(Br)c(NC(=O)NCCn2cc(C)cn2)cc1OC ZINC000118015265 655271185 /nfs/dbraw/zinc/27/11/85/655271185.db2.gz PJDBCVQFGBHJAT-UHFFFAOYSA-N 0 0 383.246 2.793 10 0 GFAERN C[C@@H](CNC(=O)N[C@H]1CCCn2ncnc21)Oc1ccccc1Br ZINC000177376789 655274392 /nfs/dbraw/zinc/27/43/92/655274392.db2.gz GQWNMXPSPDRRPM-AAEUAGOBSA-N 0 0 394.273 2.642 10 0 GFAERN Cc1sc2[nH]c(CSC[C@@H](O)CO)nc(=O)c2c1-c1ccc(C)cc1 ZINC000177429732 655276749 /nfs/dbraw/zinc/27/67/49/655276749.db2.gz XLCOORQRAQKPGH-ZDUSSCGKSA-N 0 0 376.503 2.855 10 0 GFAERN Cc1cc(C(=O)N2CCCN(c3cccnn3)CC2)ccc1Br ZINC000119047391 655288123 /nfs/dbraw/zinc/28/81/23/655288123.db2.gz QLTNHVLWQKPKKW-UHFFFAOYSA-N 0 0 375.270 2.900 10 0 GFAERN C[C@@H](OC(=O)Cc1nc2ncccn2n1)c1ccc(Br)cc1F ZINC000177969239 655293434 /nfs/dbraw/zinc/29/34/34/655293434.db2.gz RNRZZYUXYMJRSV-SECBINFHSA-N 0 0 379.189 2.873 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000177983620 655293451 /nfs/dbraw/zinc/29/34/51/655293451.db2.gz CUDGPZQGWSHBBY-HNNXBMFYSA-N 0 0 391.269 2.584 10 0 GFAERN O=C(CCS(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1)OCc1ccccc1 ZINC000179307139 655312684 /nfs/dbraw/zinc/31/26/84/655312684.db2.gz KNDHOAIPHGAOQW-CQSZACIVSA-N 0 0 379.400 2.724 10 0 GFAERN COc1ccc(C(=O)Oc2ccc(F)cc2Br)cc1-n1cnnn1 ZINC000180521060 655327953 /nfs/dbraw/zinc/32/79/53/655327953.db2.gz IUNDWTIZMLEGIR-UHFFFAOYSA-N 0 0 393.172 2.792 10 0 GFAERN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000182181806 655342781 /nfs/dbraw/zinc/34/27/81/655342781.db2.gz IDTIGIZIPJLHJG-ZANVPECISA-N 0 0 380.388 2.918 10 0 GFAERN CC(=O)N1CCN(C(=O)[C@H](C)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000120720380 655343173 /nfs/dbraw/zinc/34/31/73/655343173.db2.gz SHJNYOAZLPUTAT-QWRGUYRKSA-N 0 0 390.286 2.862 10 0 GFAERN C[C@@H]1CN(Cn2nnn(-c3ccc(Br)cc3)c2=S)CCS1 ZINC000182680589 655346541 /nfs/dbraw/zinc/34/65/41/655346541.db2.gz YYGRUPGCEYDAMB-SNVBAGLBSA-N 0 0 386.344 2.956 10 0 GFAERN C[C@@H]1C(=O)NCCCN1Cn1nc2c(Cl)cc(C(F)(F)F)cn2c1=S ZINC000190712940 655394370 /nfs/dbraw/zinc/39/43/70/655394370.db2.gz JOXFJVBMAXAZFF-MRVPVSSYSA-N 0 0 393.822 2.705 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1cccc(Br)c1 ZINC000192461355 655405528 /nfs/dbraw/zinc/40/55/28/655405528.db2.gz FEHFJTGEKANZRE-AWEZNQCLSA-N 0 0 390.299 2.697 10 0 GFAERN CC(C)c1nnc(CSc2nnc(SCc3ccccc3)n2N)n1C ZINC000194673265 655416861 /nfs/dbraw/zinc/41/68/61/655416861.db2.gz CXKHBDILOZEQCF-UHFFFAOYSA-N 0 0 375.527 2.828 10 0 GFAERN COC1CC(NS(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000230724538 655423582 /nfs/dbraw/zinc/42/35/82/655423582.db2.gz GLUZAYSNUXHKHQ-UHFFFAOYSA-N 0 0 399.104 2.667 10 0 GFAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000255367646 655438654 /nfs/dbraw/zinc/43/86/54/655438654.db2.gz BKMMWRYJYZWYOF-FPAJZGIOSA-N 0 0 388.283 2.777 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccc3ccc(Cl)c(Cl)c3n2)CCO1 ZINC000263408538 655451607 /nfs/dbraw/zinc/45/16/07/655451607.db2.gz LLWOWYOWDJQUCK-LBPRGKRZSA-N 0 0 384.263 2.763 10 0 GFAERN Cc1cnc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1 ZINC000702855787 655521919 /nfs/dbraw/zinc/52/19/19/655521919.db2.gz CTGNPUDDVSNXGM-DGCLKSJQSA-N 0 0 386.290 2.792 10 0 GFAERN C[C@@H](NC(=O)c1cc(Cl)ccc1I)c1cn(C)nn1 ZINC000720618689 655524508 /nfs/dbraw/zinc/52/45/08/655524508.db2.gz IIXNXBAUFYGKIX-SSDOTTSWSA-N 0 0 390.612 2.564 10 0 GFAERN Cn1c(CO)nn(CN2C[C@H](c3ccccc3Cl)OCC2(C)C)c1=S ZINC000120517025 677396646 /nfs/dbraw/zinc/39/66/46/677396646.db2.gz JXUHOPDOCPQFQX-CQSZACIVSA-N 0 0 382.917 2.906 10 0 GFAERN O=C(c1ccccn1)N1CCC[C@H](COc2ccc(CN3CCOCC3)cc2)C1 ZINC000015004110 210142489 /nfs/dbraw/zinc/14/24/89/210142489.db2.gz RBCLJRYNYJYJCZ-FQEVSTJZSA-N 0 0 395.503 2.845 10 0 GFAERN CCOC(=O)N1CCN(C(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)CC1 ZINC000006771907 209683099 /nfs/dbraw/zinc/68/30/99/209683099.db2.gz ZHAIEDXQSJKDLY-UHFFFAOYSA-N 0 0 399.472 2.668 10 0 GFAERN O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc21 ZINC000004971511 209553232 /nfs/dbraw/zinc/55/32/32/209553232.db2.gz YDDXBFSFZMLLPM-UHFFFAOYSA-N 0 0 388.464 2.993 10 0 GFAERN CCn1cnc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c2c1=O ZINC000002910889 209397320 /nfs/dbraw/zinc/39/73/20/209397320.db2.gz USUGQOMBMLRINN-UHFFFAOYSA-N 0 0 382.489 2.749 10 0 GFAERN CCOc1ccccc1NC(=O)NC(=O)N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000001509712 209330384 /nfs/dbraw/zinc/33/03/84/209330384.db2.gz NEVRSSFZBJPDRR-UHFFFAOYSA-N 0 0 391.449 2.956 10 0 GFAERN Ic1ncnc2ncn([C@H]3COc4ccccc4CO3)c21 ZINC000029128878 209243801 /nfs/dbraw/zinc/24/38/01/209243801.db2.gz HRDSWTMQTZJWPE-LLVKDONJSA-N 0 0 394.172 2.539 10 0 GFAERN O=C(NCCCN1CCOCC1)c1cc2cc(Br)ccc2cc1O ZINC000031308730 209245096 /nfs/dbraw/zinc/24/50/96/209245096.db2.gz PVZXJTNWDZNFJH-UHFFFAOYSA-N 0 0 393.281 2.760 10 0 GFAERN Cc1cccc(CNC(=O)CN2c3c(C)cccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000065306889 211955698 /nfs/dbraw/zinc/95/56/98/211955698.db2.gz OCRNIEXHAJVVSC-LJQANCHMSA-N 0 0 391.471 2.571 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1ncnc3n[nH]cc31)CC2 ZINC000328639813 209152131 /nfs/dbraw/zinc/15/21/31/209152131.db2.gz PQCPTDQZGNTGMK-INIZCTEOSA-N 0 0 382.493 2.822 10 0 GFAERN CC(C)c1ccc(OCc2ccc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)o2)cc1 ZINC000027983873 211868729 /nfs/dbraw/zinc/86/87/29/211868729.db2.gz VBAKCSSNVBOHMB-UHFFFAOYSA-N 0 0 397.431 2.632 10 0 GFAERN CCCn1cc(CNC(=O)c2cccc3[nH]cc(CN4CCOCC4)c32)c(C)n1 ZINC000097937997 211374631 /nfs/dbraw/zinc/37/46/31/211374631.db2.gz UDSCRTVLPKSOTL-UHFFFAOYSA-N 0 0 395.507 2.845 10 0 GFAERN Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)NC[C@@H]1CCCO1 ZINC000096396530 211340084 /nfs/dbraw/zinc/34/00/84/211340084.db2.gz GHDKVSKSIMFRBB-HNNXBMFYSA-N 0 0 384.407 2.999 10 0 GFAERN Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)NC[C@@H]1CCCO1 ZINC000096396486 211339508 /nfs/dbraw/zinc/33/95/08/211339508.db2.gz NYTDPAFMXXWDGD-INIZCTEOSA-N 0 0 384.407 2.999 10 0 GFAERN Ic1cc(OC2CC2)c(I)cn1 ZINC000095734545 211282074 /nfs/dbraw/zinc/28/20/74/211282074.db2.gz ILCUMWYULPCOHU-UHFFFAOYSA-N 0 0 386.958 2.832 10 0 GFAERN CN(C[C@H](O)COc1cccc2ccccc21)C1=NS(=O)(=O)c2ccccc21 ZINC000095481848 211250002 /nfs/dbraw/zinc/25/00/02/211250002.db2.gz HARUZVYLIDGQIA-INIZCTEOSA-N 0 0 396.468 2.660 10 0 GFAERN Cc1cnc(S(=O)(=O)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1Cl ZINC000095089654 211220080 /nfs/dbraw/zinc/22/00/80/211220080.db2.gz PWGOGJOTOSKHMY-LBPRGKRZSA-N 0 0 389.905 2.859 10 0 GFAERN CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(Cl)nn2)CC1 ZINC000095084206 211218454 /nfs/dbraw/zinc/21/84/54/211218454.db2.gz LWZVSSYKKZQJQB-UHFFFAOYSA-N 0 0 375.878 2.551 10 0 GFAERN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000095075184 211217648 /nfs/dbraw/zinc/21/76/48/211217648.db2.gz YJOKCORUSHRHNT-AWEZNQCLSA-N 0 0 393.509 2.714 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H]2Cc3[nH]nc(I)c3[C@H]2C1 ZINC000091302731 211189413 /nfs/dbraw/zinc/18/94/13/211189413.db2.gz IZDBZOQAAGYPPB-SFYZADRCSA-N 0 0 375.210 2.521 10 0 GFAERN Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4cc5n(n4)CCN(C)C5)C3)nc21 ZINC000067643164 211013667 /nfs/dbraw/zinc/01/36/67/211013667.db2.gz JFGOTDZXCRVYCZ-HNNXBMFYSA-N 0 0 378.480 2.533 10 0 GFAERN CCc1ccc(S(=O)(=O)N2CC[C@@H](Cc3nc4cccnc4n3C)C2)cc1 ZINC000065292582 210984096 /nfs/dbraw/zinc/98/40/96/210984096.db2.gz HSUBTNICBRPZHE-INIZCTEOSA-N 0 0 384.505 2.784 10 0 GFAERN CCCNC(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1 ZINC000064566463 210942326 /nfs/dbraw/zinc/94/23/26/210942326.db2.gz IBUBJCIUOLNRKE-UHFFFAOYSA-N 0 0 380.452 2.539 10 0 GFAERN C[C@@H](NC(=O)c1sccc1-n1cnnn1)c1ccccc1Br ZINC000047904081 210844117 /nfs/dbraw/zinc/84/41/17/210844117.db2.gz RPEHGVLHFNMSFC-SECBINFHSA-N 0 0 378.255 2.977 10 0 GFAERN CC(=O)Oc1ccc(/C=c2/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 ZINC000039835568 210763439 /nfs/dbraw/zinc/76/34/39/210763439.db2.gz HAPXFMYVFQKHPJ-CEKJNPHKSA-N 0 0 395.465 2.856 10 0 GFAERN Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000026920374 210508182 /nfs/dbraw/zinc/50/81/82/210508182.db2.gz WVEOVVWCINFZAK-MRXNPFEDSA-N 0 0 381.450 2.640 10 0 GFAERN COC[C@H](C)NC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C2CC2)c1 ZINC000023315510 210441125 /nfs/dbraw/zinc/44/11/25/210441125.db2.gz OYZHUASGRULFMD-LBPRGKRZSA-N 0 0 381.436 2.873 10 0 GFAERN CC(C)(C)NC(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021109669 210378763 /nfs/dbraw/zinc/37/87/63/210378763.db2.gz ANZIFORPTJBILQ-MHZLTWQESA-N 0 0 384.505 2.826 10 0 GFAERN COc1ccc(OC)c(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)c1 ZINC000020889516 210366501 /nfs/dbraw/zinc/36/65/01/210366501.db2.gz GKIHAPQCCCSWII-UHFFFAOYSA-N 0 0 398.507 2.994 10 0 GFAERN O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCc1ccc(Cl)cc1 ZINC000020862823 210365480 /nfs/dbraw/zinc/36/54/80/210365480.db2.gz DQAXLLWGBPAUJE-UHFFFAOYSA-N 0 0 384.798 2.758 10 0 GFAERN Cc1cc2c(cc1S(=O)(=O)N1CCCC[C@@H]1c1cccnc1)OCC(=O)N2 ZINC000020491739 210342226 /nfs/dbraw/zinc/34/22/26/210342226.db2.gz BIYNXAXDPAWRLQ-MRXNPFEDSA-N 0 0 387.461 2.637 10 0 GFAERN CC1CCN(c2c(=O)c(=O)c2NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000020414780 210331337 /nfs/dbraw/zinc/33/13/37/210331337.db2.gz QCBFYQPHQONOFN-UHFFFAOYSA-N 0 0 395.503 2.757 10 0 GFAERN CC(C)Oc1ccc(CNC(=O)C2CCN(c3cncnc3N(C)C)CC2)cc1 ZINC000065226287 136160230 /nfs/dbraw/zinc/16/02/30/136160230.db2.gz YUOVVIPQLRKZOD-UHFFFAOYSA-N 0 0 397.523 2.863 10 0 GFAERN CSCC(=O)Nc1nn(CC(F)(F)F)c2cccc(N3CCOCC3)c21 ZINC000077555314 136172353 /nfs/dbraw/zinc/17/23/53/136172353.db2.gz IEVANXNPNJVBRQ-UHFFFAOYSA-N 0 0 388.415 2.737 10 0 GFAERN CCCc1cc(OCC(=O)[O-])nc(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000073709073 521384637 /nfs/dbraw/zinc/38/46/37/521384637.db2.gz KBNKOTGVXJHWHG-UHFFFAOYSA-N 0 0 384.480 2.969 10 0 GFAERN COCCCNC(=O)Nc1cccc(-c2nccnc2N2CCSCC2)c1 ZINC000064459772 536579943 /nfs/dbraw/zinc/57/99/43/536579943.db2.gz ZQTXACOZOLVTDR-UHFFFAOYSA-N 0 0 387.509 2.855 10 0 GFAERN COc1nccc(N2CCC(CC(=O)NCc3cc(F)cc(F)c3)CC2)n1 ZINC000065281916 537145201 /nfs/dbraw/zinc/14/52/01/537145201.db2.gz MUVQPQCGTMBKFR-UHFFFAOYSA-N 0 0 376.407 2.686 10 0 GFAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1 ZINC000043759591 551142616 /nfs/dbraw/zinc/14/26/16/551142616.db2.gz HNUCSUYBPFACCT-NSHDSACASA-N 0 0 397.294 2.848 10 0 GFAERN C[C@H](NC(=O)Nc1cc(Br)ccc1N1CCOCC1)[C@H]1CCCO1 ZINC000047805979 551153665 /nfs/dbraw/zinc/15/36/65/551153665.db2.gz WSWGQQGLQJGVEH-BLLLJJGKSA-N 0 0 398.301 2.975 10 0 GFAERN C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C[C@@H](C)O1 ZINC000047805589 551153716 /nfs/dbraw/zinc/15/37/16/551153716.db2.gz ORDPQAKGAVUTJM-CHWSQXEVSA-N 0 0 398.301 2.927 10 0 GFAERN CC(=O)N[C@@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000067377454 551188335 /nfs/dbraw/zinc/18/83/35/551188335.db2.gz WTFAGYRRVMFBAF-OAHLLOKOSA-N 0 0 393.285 2.523 10 0 GFAERN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1nccn1C(C)C ZINC000107078350 551201515 /nfs/dbraw/zinc/20/15/15/551201515.db2.gz ZIWUFDWCIHZFKV-UHFFFAOYSA-N 0 0 379.511 2.773 10 0 GFAERN COCCN1CCN(C(=O)NCc2ccc(Br)cc2C)C[C@@H]1C ZINC000117495415 551213899 /nfs/dbraw/zinc/21/38/99/551213899.db2.gz VVZVPMMRXXTJOR-AWEZNQCLSA-N 0 0 384.318 2.620 10 0 GFAERN Cc1cccc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)c1Br ZINC000120996068 551224798 /nfs/dbraw/zinc/22/47/98/551224798.db2.gz MXUANINLZLARHI-CYBMUJFWSA-N 0 0 375.222 2.946 10 0 GFAERN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(c2cc[nH]n2)CC1 ZINC000122462467 551298168 /nfs/dbraw/zinc/29/81/68/551298168.db2.gz CSPGNFJQCIUWCR-UHFFFAOYSA-N 0 0 375.372 2.877 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(Br)ccc2F)cn1 ZINC000124224452 551312419 /nfs/dbraw/zinc/31/24/19/551312419.db2.gz QFCJPQYZNQYUMW-AWEZNQCLSA-N 0 0 395.232 2.624 10 0 GFAERN CN1CCO[C@H](CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000124875271 551318473 /nfs/dbraw/zinc/31/84/73/551318473.db2.gz NXXNQZRGCLULAY-GFCCVEGCSA-N 0 0 381.192 2.528 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000128606146 551351119 /nfs/dbraw/zinc/35/11/19/551351119.db2.gz AMAQXRQZYRVNML-GFCCVEGCSA-N 0 0 392.253 2.660 10 0 GFAERN CCN(CC)C(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000130924254 551370461 /nfs/dbraw/zinc/37/04/61/551370461.db2.gz YJEYUMSOCGITIW-UHFFFAOYSA-N 0 0 379.258 2.501 10 0 GFAERN CCc1ncsc1C(=O)N1CCN(Cc2c(Cl)n(C)nc2CC)CC1 ZINC000133160585 551382542 /nfs/dbraw/zinc/38/25/42/551382542.db2.gz BUTRDYSFSJLHTL-UHFFFAOYSA-N 0 0 381.933 2.613 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(F)cc1I ZINC000151021920 551405642 /nfs/dbraw/zinc/40/56/42/551405642.db2.gz GRJGTUVSXWFYBQ-ZANVPECISA-N 0 0 377.197 2.711 10 0 GFAERN COc1cc(C(=O)N[C@H](C)c2ccc(Cl)s2)sc1S(N)(=O)=O ZINC000151458550 551413643 /nfs/dbraw/zinc/41/36/43/551413643.db2.gz VVSSUWYDZCLENB-ZCFIWIBFSA-N 0 0 380.900 2.610 10 0 GFAERN O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000152918661 551442509 /nfs/dbraw/zinc/44/25/09/551442509.db2.gz IRWHJXQGLXMYLL-KBPBESRZSA-N 0 0 382.448 2.633 10 0 GFAERN CN(c1cccnn1)C1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000152932247 551443218 /nfs/dbraw/zinc/44/32/18/551443218.db2.gz STMLJURHTHPXLY-KRWDZBQOSA-N 0 0 391.313 2.873 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cnn(CC(F)(F)F)c1)c1ccc(Cl)s1 ZINC000153280433 551449358 /nfs/dbraw/zinc/44/93/58/551449358.db2.gz FKVMPEGCQVNAMP-ZETCQYMHSA-N 0 0 380.779 2.976 10 0 GFAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000153974854 551464680 /nfs/dbraw/zinc/46/46/80/551464680.db2.gz JOLWQYMLQNWVIM-NSHDSACASA-N 0 0 389.445 2.798 10 0 GFAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](C)c2cccc(Br)c2)c1 ZINC000154135309 551468322 /nfs/dbraw/zinc/46/83/22/551468322.db2.gz WJWXYHVJPJLRKP-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccccc1Br ZINC000154522597 551477175 /nfs/dbraw/zinc/47/71/75/551477175.db2.gz YIUQRTLGOHVQSX-CYBMUJFWSA-N 0 0 378.274 2.937 10 0 GFAERN Cc1noc([C@H](C)N2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)n1 ZINC000154743144 551481955 /nfs/dbraw/zinc/48/19/55/551481955.db2.gz RZHANLGECJXUCB-VIFPVBQESA-N 0 0 384.267 2.786 10 0 GFAERN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCC[C@H](n2cncn2)C1 ZINC000155129798 551492333 /nfs/dbraw/zinc/49/23/33/551492333.db2.gz VAEUDJYVFBYDGK-NSHDSACASA-N 0 0 394.806 2.976 10 0 GFAERN O=C(c1ccc(Br)cc1-n1cncn1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000155298742 551496519 /nfs/dbraw/zinc/49/65/19/551496519.db2.gz MBSKDJVFOCGMPX-GOEBONIOSA-N 0 0 391.269 2.813 10 0 GFAERN O=C(NCc1nc(C(F)(F)F)cs1)N1CCO[C@@H](c2nccs2)C1 ZINC000155503815 551501446 /nfs/dbraw/zinc/50/14/46/551501446.db2.gz DJHDEPRSDRFCTA-MRVPVSSYSA-N 0 0 378.401 2.902 10 0 GFAERN CO[C@@]1(C)C[C@H](N(C)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1(C)C ZINC000156165590 551515789 /nfs/dbraw/zinc/51/57/89/551515789.db2.gz AJHPUCNBDUBRGC-LRDDRELGSA-N 0 0 386.290 2.815 10 0 GFAERN C[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@H]1N1CCOCC1 ZINC000156536292 551524508 /nfs/dbraw/zinc/52/45/08/551524508.db2.gz NCDNHSKTJOCRKU-MLGOLLRUSA-N 0 0 392.297 2.723 10 0 GFAERN NC(=O)[C@@H](c1cccc(Br)c1)N1CCC(Cn2cccn2)CC1 ZINC000157198146 551534726 /nfs/dbraw/zinc/53/47/26/551534726.db2.gz GTLBPAMGZLOWFH-MRXNPFEDSA-N 0 0 377.286 2.584 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)c1ccc(Cl)c(Cl)c1 ZINC000162903446 551614220 /nfs/dbraw/zinc/61/42/20/551614220.db2.gz KSJPNICCOSGQFR-SECBINFHSA-N 0 0 382.251 2.665 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@H]1CCCO1 ZINC000164261549 551624786 /nfs/dbraw/zinc/62/47/86/551624786.db2.gz LDFIJSJRZZIFRZ-BXKDBHETSA-N 0 0 376.400 2.805 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164590370 551626478 /nfs/dbraw/zinc/62/64/78/551626478.db2.gz AAHPANIXYABUGN-GDBMZVCRSA-N 0 0 381.263 2.602 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1nnc2n1CCCC2 ZINC000165551180 551629500 /nfs/dbraw/zinc/62/95/00/551629500.db2.gz IUVHEILXPFRVIG-VIFPVBQESA-N 0 0 382.251 2.737 10 0 GFAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(I)cc1Cl ZINC000170755891 551638927 /nfs/dbraw/zinc/63/89/27/551638927.db2.gz PKQZDESNHSGHKQ-HTQZYQBOSA-N 0 0 379.581 2.692 10 0 GFAERN Brc1ccccc1-n1nnnc1CN1CCC(c2cc[nH]n2)CC1 ZINC000170778887 551639860 /nfs/dbraw/zinc/63/98/60/551639860.db2.gz MUNHPSWEFBQZEJ-UHFFFAOYSA-N 0 0 388.273 2.528 10 0 GFAERN CCOc1cc(Br)c(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1OCC ZINC000170821570 551640546 /nfs/dbraw/zinc/64/05/46/551640546.db2.gz RYQQTBOSUGTKPL-KOLCDFICSA-N 0 0 385.258 2.710 10 0 GFAERN C[C@H]1CN(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CCS1 ZINC000170882342 551642316 /nfs/dbraw/zinc/64/23/16/551642316.db2.gz MIHLUKDYVZHFBL-WMLDXEAASA-N 0 0 383.945 2.860 10 0 GFAERN Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)c1cccc(Br)c1)CC2 ZINC000171037449 551644720 /nfs/dbraw/zinc/64/47/20/551644720.db2.gz BEYAOIHSTAIEBO-IINYFYTJSA-N 0 0 378.274 2.724 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)c2cc3c(c(Br)c2)OCO3)cn1 ZINC000171347917 551653149 /nfs/dbraw/zinc/65/31/49/551653149.db2.gz NXPJIDZNWHEGSD-ZDUSSCGKSA-N 0 0 378.226 2.889 10 0 GFAERN Cc1c(NC(=O)C(=O)N2CCS[C@@H](C)C2)cccc1OCC(F)(F)F ZINC000171469078 551656174 /nfs/dbraw/zinc/65/61/74/551656174.db2.gz TUMAJFUCIVZKMR-JTQLQIEISA-N 0 0 376.400 2.839 10 0 GFAERN CC(C)n1ccnc1CSc1nnc(-c2cccs2)n1CCC(N)=O ZINC000171678129 551660982 /nfs/dbraw/zinc/66/09/82/551660982.db2.gz XCBFWUPJVZJKEN-UHFFFAOYSA-N 0 0 376.511 2.952 10 0 GFAERN O=C(c1cc(Br)c[nH]1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172388305 551678403 /nfs/dbraw/zinc/67/84/03/551678403.db2.gz CRVMNKBYMLTPKV-UHFFFAOYSA-N 0 0 375.226 2.881 10 0 GFAERN C[C@@H](NC(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000172805780 551687226 /nfs/dbraw/zinc/68/72/26/551687226.db2.gz TYYRFLWLCJJTSW-HIFRSBDPSA-N 0 0 386.323 2.577 10 0 GFAERN CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000172840025 551687441 /nfs/dbraw/zinc/68/74/41/551687441.db2.gz HYFYRGVHGZTXGN-LBPRGKRZSA-N 0 0 381.885 2.845 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)c2sc(C)c(Br)c2OC)C1 ZINC000173009799 551692557 /nfs/dbraw/zinc/69/25/57/551692557.db2.gz CEPZFBAYBQNEOY-SECBINFHSA-N 0 0 376.272 2.853 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(Br)ccc3Cl)CCO2)[nH]1 ZINC000173094641 551695766 /nfs/dbraw/zinc/69/57/66/551695766.db2.gz DUTNRXAYZPYKPA-LBPRGKRZSA-N 0 0 399.676 2.997 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(-c4ccc(Cl)s4)on3)CCO2)[nH]1 ZINC000173607477 552088980 /nfs/dbraw/zinc/08/89/80/552088980.db2.gz OJFDYBOBLQGQTK-NSHDSACASA-N 0 0 379.829 2.697 10 0 GFAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N(CCO)CCOCC(F)(F)F ZINC000173659528 552090259 /nfs/dbraw/zinc/09/02/59/552090259.db2.gz DJZOCVDXBKXAPC-GHMZBOCLSA-N 0 0 380.329 2.690 10 0 GFAERN C[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@@H]1N1CCOCC1 ZINC000173807391 552092646 /nfs/dbraw/zinc/09/26/46/552092646.db2.gz DXDMWWZAOWLPEX-SJCJKPOMSA-N 0 0 392.297 2.723 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000173840799 552093834 /nfs/dbraw/zinc/09/38/34/552093834.db2.gz AYVAJHLRIUYUGM-CQSZACIVSA-N 0 0 384.299 2.807 10 0 GFAERN C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N(C)CC(=O)NC1CC1 ZINC000173976431 552096302 /nfs/dbraw/zinc/09/63/02/552096302.db2.gz SKTVOZMMZLGZFL-UWVGGRQHSA-N 0 0 390.286 2.909 10 0 GFAERN CC[C@H](O)C[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000174084528 552098607 /nfs/dbraw/zinc/09/86/07/552098607.db2.gz ZHTACNNDKPRVIB-HIFRSBDPSA-N 0 0 388.339 2.559 10 0 GFAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(Cl)ccc3Cl)C2=O)n(C)n1 ZINC000174980251 552113159 /nfs/dbraw/zinc/11/31/59/552113159.db2.gz PEMIKXYWNCTOJE-CQSZACIVSA-N 0 0 381.263 2.961 10 0 GFAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(Cl)c3Cl)C2=O)n(C)n1 ZINC000175013015 552113519 /nfs/dbraw/zinc/11/35/19/552113519.db2.gz BOJXTMLKICAWRR-CYBMUJFWSA-N 0 0 381.263 2.961 10 0 GFAERN Cc1cnc(C(C)(C)NC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000175334845 552119507 /nfs/dbraw/zinc/11/95/07/552119507.db2.gz ZOELBXZKQNZHNM-CYBMUJFWSA-N 0 0 379.507 2.905 10 0 GFAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000176350085 552139190 /nfs/dbraw/zinc/13/91/90/552139190.db2.gz WEQZDQHUQXCZJV-OAHLLOKOSA-N 0 0 382.917 2.636 10 0 GFAERN COc1cc(C(=O)N[C@@H]2CCCn3nc(C)nc32)cc(OC)c1Br ZINC000177708195 552157097 /nfs/dbraw/zinc/15/70/97/552157097.db2.gz KCKVBPJFJNKKFR-LLVKDONJSA-N 0 0 395.257 2.631 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177707225 552157117 /nfs/dbraw/zinc/15/71/17/552157117.db2.gz MXGRSUMRQLHHNV-XJKSGUPXSA-N 0 0 382.302 2.942 10 0 GFAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]1Cn1ccnc1 ZINC000177783773 552158784 /nfs/dbraw/zinc/15/87/84/552158784.db2.gz YGGGSOISRBBZST-GFCCVEGCSA-N 0 0 378.226 2.679 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc(I)c(F)cc1F ZINC000179235530 552187885 /nfs/dbraw/zinc/18/78/85/552187885.db2.gz HFMZHYPCTDMKQC-AMIZOPFISA-N 0 0 395.187 2.850 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cc(F)c(F)cc1I ZINC000179229883 552187926 /nfs/dbraw/zinc/18/79/26/552187926.db2.gz WCQJDOWNUUIYPR-SDBXPKJASA-N 0 0 395.187 2.850 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cccc(C)c3Br)CC2)no1 ZINC000179320721 552189429 /nfs/dbraw/zinc/18/94/29/552189429.db2.gz KCUMMVGBZDGYSA-UHFFFAOYSA-N 0 0 393.285 2.797 10 0 GFAERN COCCCS(=O)(=O)NCCN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179542169 552196059 /nfs/dbraw/zinc/19/60/59/552196059.db2.gz WEZGFRCZTCXRCI-SNVBAGLBSA-N 0 0 387.304 2.739 10 0 GFAERN C[C@H](NCc1nc(CS(C)(=O)=O)no1)c1c(Cl)ccc(F)c1Cl ZINC000179542137 552196239 /nfs/dbraw/zinc/19/62/39/552196239.db2.gz CWOJIQPGAKCDGP-ZETCQYMHSA-N 0 0 382.244 2.911 10 0 GFAERN C[C@@H](NC(=O)c1cc2sc(N(C)C)nc2s1)c1nnc2n1CCCC2 ZINC000179572890 552196520 /nfs/dbraw/zinc/19/65/20/552196520.db2.gz BOMQJEQRIWDADJ-SECBINFHSA-N 0 0 376.511 2.843 10 0 GFAERN COC(=O)[C@H]1CCCN1C(=O)c1cc(Br)cc(Br)c1 ZINC000179724158 552201386 /nfs/dbraw/zinc/20/13/86/552201386.db2.gz PUPQWEXMESJPEL-LLVKDONJSA-N 0 0 391.059 2.989 10 0 GFAERN O[C@@H](Cn1cnc2c1ncnc2N1CCCC1)c1ccccc1Br ZINC000179758915 552201927 /nfs/dbraw/zinc/20/19/27/552201927.db2.gz VJSVARCHDVLRCQ-AWEZNQCLSA-N 0 0 388.269 2.923 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000179778883 552203138 /nfs/dbraw/zinc/20/31/38/552203138.db2.gz RRYPWKQFBSNVLX-DZGCQCFKSA-N 0 0 383.279 2.873 10 0 GFAERN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000179840114 552204421 /nfs/dbraw/zinc/20/44/21/552204421.db2.gz BDLBLCLURBLXQN-HZPDHXFCSA-N 0 0 384.263 2.541 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000179990908 552209229 /nfs/dbraw/zinc/20/92/29/552209229.db2.gz NNWDJHGPIFTYLX-ZIAGYGMSSA-N 0 0 383.279 2.702 10 0 GFAERN CCn1c(C)nnc1CN[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180464256 552226683 /nfs/dbraw/zinc/22/66/83/552226683.db2.gz LSXLNEQEUVASNZ-SNVBAGLBSA-N 0 0 381.274 2.991 10 0 GFAERN CC(C)(CCS(C)(=O)=O)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000180548298 552229587 /nfs/dbraw/zinc/22/95/87/552229587.db2.gz XUXKTTUWSLHRQK-ZDUSSCGKSA-N 0 0 380.432 2.673 10 0 GFAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1sccc1S(=O)(=O)N(C)C)[C@H](C)C2 ZINC000182230079 552278857 /nfs/dbraw/zinc/27/88/57/552278857.db2.gz ACHRAHMHWJKGGC-WBMJQRKESA-N 0 0 378.519 2.970 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cccc(Br)n3)C2)n1 ZINC000182633396 552289675 /nfs/dbraw/zinc/28/96/75/552289675.db2.gz ZSSNVDDTIXEENT-CYBMUJFWSA-N 0 0 378.274 2.605 10 0 GFAERN Brc1ccc2[nH]c(CN3CCC[C@@H](Cn4cncn4)C3)nc2c1 ZINC000184971736 552349511 /nfs/dbraw/zinc/34/95/11/552349511.db2.gz OYGKBQSRNWFCAI-GFCCVEGCSA-N 0 0 375.274 2.829 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(F)c(C)cc2F)C12CCOCC2 ZINC000185147004 552355509 /nfs/dbraw/zinc/35/55/09/552355509.db2.gz JDDXITLHEGNVOB-HZPDHXFCSA-N 0 0 375.437 2.526 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)COc2ccccc2Br)C12CCOCC2 ZINC000187155979 552407479 /nfs/dbraw/zinc/40/74/79/552407479.db2.gz AYIKDSYAXPRRPX-HOTGVXAUSA-N 0 0 398.297 2.918 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Nc1cccc(Br)n1)CC2 ZINC000188581922 552449217 /nfs/dbraw/zinc/44/92/17/552449217.db2.gz HIIHBBWIIKPBKB-SNVBAGLBSA-N 0 0 379.262 2.696 10 0 GFAERN C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188824747 552456275 /nfs/dbraw/zinc/45/62/75/552456275.db2.gz CDTLVVSTYJRCJO-GFCCVEGCSA-N 0 0 394.313 2.690 10 0 GFAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000189066316 552461768 /nfs/dbraw/zinc/46/17/68/552461768.db2.gz VAHLOGCIVLJOMP-BXKDBHETSA-N 0 0 378.828 2.617 10 0 GFAERN CCn1cc([C@H]2CN(S(=O)(=O)/C=C/c3cccc(Cl)c3)CCO2)cn1 ZINC000189217512 552465987 /nfs/dbraw/zinc/46/59/87/552465987.db2.gz PGMHZLUAVUDALS-RCMYXZNBSA-N 0 0 381.885 2.930 10 0 GFAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cc(C)c1Br ZINC000190590477 552502373 /nfs/dbraw/zinc/50/23/73/552502373.db2.gz KUAFIBUYJQHFHP-JSGCOSHPSA-N 0 0 383.286 2.672 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3cc(Br)c(F)cc3C)CCO2)[nH]1 ZINC000190946920 552513855 /nfs/dbraw/zinc/51/38/55/552513855.db2.gz ZLTDLBKEGFOXFA-CYBMUJFWSA-N 0 0 398.236 2.929 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cc(Br)c(F)cc3C)CCO2)[nH]1 ZINC000190946904 552513887 /nfs/dbraw/zinc/51/38/87/552513887.db2.gz ZLTDLBKEGFOXFA-ZDUSSCGKSA-N 0 0 398.236 2.929 10 0 GFAERN Cn1cc([C@H]2CCCN2C(=O)c2cc(I)ccc2O)cn1 ZINC000191245148 552522734 /nfs/dbraw/zinc/52/27/34/552522734.db2.gz ZVUHJXJABBQAFP-CYBMUJFWSA-N 0 0 397.216 2.708 10 0 GFAERN CC[C@@H](CNC(=O)N1CCCNC(=O)[C@H]1C)Cc1cccc(Br)c1 ZINC000191409387 552527680 /nfs/dbraw/zinc/52/76/80/552527680.db2.gz SKYDWZMPNHMQNL-ZIAGYGMSSA-N 0 0 396.329 2.938 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000191444917 552528704 /nfs/dbraw/zinc/52/87/04/552528704.db2.gz DVJYKESMQLWQBH-VIFPVBQESA-N 0 0 394.686 2.946 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000191734728 552536594 /nfs/dbraw/zinc/53/65/94/552536594.db2.gz HNFVSWKSXQHJCS-UHFFFAOYSA-N 0 0 376.787 2.562 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(Br)c(F)cc1F ZINC000192122126 552551827 /nfs/dbraw/zinc/55/18/27/552551827.db2.gz JBUOUWCPEWTDNG-SNVBAGLBSA-N 0 0 397.223 2.916 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C)c1ccc(Cl)s1 ZINC000192571231 552566948 /nfs/dbraw/zinc/56/69/48/552566948.db2.gz AQGAOWUJBWFVHP-VIFPVBQESA-N 0 0 377.853 2.736 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C12CCOCC2 ZINC000192855968 552976214 /nfs/dbraw/zinc/97/62/14/552976214.db2.gz VZXGTUVLFFKXEZ-HZPDHXFCSA-N 0 0 391.892 2.873 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[C@@H]1CCCO1 ZINC000192957407 552979261 /nfs/dbraw/zinc/97/92/61/552979261.db2.gz WSIMSKASBULGRX-BONVTDFDSA-N 0 0 381.270 2.560 10 0 GFAERN C[C@@H](C(=O)NCc1ccccc1Br)N1C(=O)c2ccccc2C1=O ZINC000193221982 552986921 /nfs/dbraw/zinc/98/69/21/552986921.db2.gz DAPVOKYUAIYSFL-NSHDSACASA-N 0 0 387.233 2.750 10 0 GFAERN CCCCOC[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000193362344 552991058 /nfs/dbraw/zinc/99/10/58/552991058.db2.gz CFCVPDUTMSRDPW-YVEFUNNKSA-N 0 0 389.279 2.938 10 0 GFAERN CCCCOC[C@@H](O)CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000193373921 552991541 /nfs/dbraw/zinc/99/15/41/552991541.db2.gz PRGPFHJOEWTAEB-AWEZNQCLSA-N 0 0 389.323 2.929 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)CCO2)n1 ZINC000193944404 553007732 /nfs/dbraw/zinc/00/77/32/553007732.db2.gz RRLKQJNNEBJNFA-SNVBAGLBSA-N 0 0 396.387 2.770 10 0 GFAERN CCc1nnc(C[S@](=O)Cc2csc(-c3ccc(OC)cc3)n2)n1C ZINC000194125631 553012212 /nfs/dbraw/zinc/01/22/12/553012212.db2.gz VKQQWLLURFBSAF-RUZDIDTESA-N 0 0 376.507 2.959 10 0 GFAERN Cc1nc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccc1Br ZINC000194147762 553012813 /nfs/dbraw/zinc/01/28/13/553012813.db2.gz LWRXGPUOWJTTEH-CYBMUJFWSA-N 0 0 392.257 2.568 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)Cc2cccc(Br)c2)C1 ZINC000194434903 553021010 /nfs/dbraw/zinc/02/10/10/553021010.db2.gz FJRRQHMCPIKYMA-MLGOLLRUSA-N 0 0 382.302 2.690 10 0 GFAERN Cc1cc(Cc2cnc(NC(=O)[C@@H]3CNC(=O)C3)s2)ccc1Br ZINC000194805829 553030209 /nfs/dbraw/zinc/03/02/09/553030209.db2.gz OJJXTKAGLSFDKB-NSHDSACASA-N 0 0 394.294 2.879 10 0 GFAERN O=C(c1cc(Br)c2c(c1)OCCO2)N1CCN2CCCC[C@H]2C1 ZINC000195368802 553046622 /nfs/dbraw/zinc/04/66/22/553046622.db2.gz KFNYYNKCDMUOQS-ZDUSSCGKSA-N 0 0 381.270 2.531 10 0 GFAERN O=C(NC[C@H]1CCC[C@H]1O)c1cc(Cl)ccc1I ZINC000231563688 553066449 /nfs/dbraw/zinc/06/64/49/553066449.db2.gz WVHRSTDFCGVQMJ-PRHODGIISA-N 0 0 379.625 2.835 10 0 GFAERN NC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000245808612 553097798 /nfs/dbraw/zinc/09/77/98/553097798.db2.gz QMHLDTBHZJHLJO-HZPDHXFCSA-N 0 0 376.254 2.524 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000248250084 553128159 /nfs/dbraw/zinc/12/81/59/553128159.db2.gz LOWAZWFBVNMZHR-SNVBAGLBSA-N 0 0 383.217 2.958 10 0 GFAERN NC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249598614 553144729 /nfs/dbraw/zinc/14/47/29/553144729.db2.gz XMRKSGFKCPVKPB-BPUTZDHNSA-N 0 0 395.322 2.745 10 0 GFAERN O=C([C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000249657697 553145812 /nfs/dbraw/zinc/14/58/12/553145812.db2.gz ZZNOQCGUQDCFKK-WGHIXYSZSA-N 0 0 388.291 2.663 10 0 GFAERN Cc1ccc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)cc1Br ZINC000262682659 553174234 /nfs/dbraw/zinc/17/42/34/553174234.db2.gz BEKUIWIECGYPGT-UHFFFAOYSA-N 0 0 395.297 2.815 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCc2ccc(Br)c(C)c2)C1 ZINC000262724646 553174684 /nfs/dbraw/zinc/17/46/84/553174684.db2.gz RSFOKNBMODELHF-UHFFFAOYSA-N 0 0 397.313 2.744 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(CCOc2ccccc2Br)CC1 ZINC000263566524 553189833 /nfs/dbraw/zinc/18/98/33/553189833.db2.gz GDBSEVABEFOEFZ-UHFFFAOYSA-N 0 0 385.302 2.699 10 0 GFAERN CN(CCc1ccc(Br)cc1)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000301214574 563396574 /nfs/dbraw/zinc/39/65/74/563396574.db2.gz ZFALPIUXXXFTMG-INIZCTEOSA-N 0 0 391.313 2.879 10 0 GFAERN CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2cnn(-c3ccccc3)c(=O)c2Cl)C1 ZINC000301382506 563402367 /nfs/dbraw/zinc/40/23/67/563402367.db2.gz ZEOFPKQWWSEIEU-TZMCWYRMSA-N 0 0 381.885 2.654 10 0 GFAERN Cn1ncnc1CNc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC000301449829 563403810 /nfs/dbraw/zinc/40/38/10/563403810.db2.gz POBVERFNPGRFRA-UHFFFAOYSA-N 0 0 375.223 2.839 10 0 GFAERN COC(=O)[C@@H](NCc1ncc(I)s1)c1ccccc1 ZINC000302530846 563426142 /nfs/dbraw/zinc/42/61/42/563426142.db2.gz AFUDCNRQCADZKG-LBPRGKRZSA-N 0 0 388.230 2.752 10 0 GFAERN C[C@@H]1C[C@@H](CNC(=O)c2cc(I)ccc2O)C[C@H](C)O1 ZINC000436747734 563678647 /nfs/dbraw/zinc/67/86/47/563678647.db2.gz MYRSDJONEOZSBB-JGPRNRPPSA-N 0 0 389.233 2.930 10 0 GFAERN COCc1n[nH]c([C@@H]2CCCCN2S(=O)(=O)c2sccc2Cl)n1 ZINC000573912641 564659467 /nfs/dbraw/zinc/65/94/67/564659467.db2.gz ZPLNXIQDTKXHRA-JTQLQIEISA-N 0 0 376.891 2.582 10 0 GFAERN O=C(NCC[C@@H]1CCCO1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000620552860 565387822 /nfs/dbraw/zinc/38/78/22/565387822.db2.gz NRKWJZJSRIFMDW-LBPRGKRZSA-N 0 0 385.258 2.589 10 0 GFAERN COc1cccc(Cn2ncc3c4sc([S@@](C)=O)cc4n(C)c3c2=O)c1 ZINC000038143010 570383987 /nfs/dbraw/zinc/38/39/87/570383987.db2.gz MORBXZMIXGYQDB-SANMLTNESA-N 0 0 387.486 2.744 10 0 in-vitro GFAERN CC(C)NC(=O)N1CCC(c2nc(CCNC(=O)C3CCC3)cs2)CC1 ZINC000065173452 570721344 /nfs/dbraw/zinc/72/13/44/570721344.db2.gz VFXOHUBEEFVPFL-UHFFFAOYSA-N 0 0 378.542 2.899 10 0 GFAERN O=c1ccc(-c2ccc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)o2)n[nH]1 ZINC000006973989 570726198 /nfs/dbraw/zinc/72/61/98/570726198.db2.gz WOBFGRFULFNSRD-UHFFFAOYSA-N 0 0 383.429 2.508 10 0 GFAERN Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NC[C@H]3CCCO3)sc12 ZINC000065294059 570786477 /nfs/dbraw/zinc/78/64/77/570786477.db2.gz WBCSBUSUIPLXTJ-OAHLLOKOSA-N 0 0 385.493 2.522 10 0 GFAERN CCC(CC)c1nnc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 ZINC000102303416 570844403 /nfs/dbraw/zinc/84/44/03/570844403.db2.gz QLOJNKUNCRQZBF-CYZMBNFOSA-N 0 0 376.482 2.720 10 0 GFAERN COC1(c2nc(-c3ccccn3)no2)CCN(CC(=O)Nc2ccccc2)CC1 ZINC000566810714 570947566 /nfs/dbraw/zinc/94/75/66/570947566.db2.gz QXVWUZMSOYFFFI-UHFFFAOYSA-N 0 0 393.447 2.708 10 0 GFAERN Cc1ccc([C@H](C)NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)o1 ZINC000023305857 654537113 /nfs/dbraw/zinc/53/71/13/654537113.db2.gz QJGAXQBHAFLNDU-JTQLQIEISA-N 0 0 391.221 2.824 10 0 GFAERN Cc1cc(Cl)ccc1NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000028315911 654571835 /nfs/dbraw/zinc/57/18/35/654571835.db2.gz XVKQGJSIIDNCIQ-NSHDSACASA-N 0 0 377.853 2.714 10 0 GFAERN C[C@@H](NC(=O)CCOc1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000031545973 654595459 /nfs/dbraw/zinc/59/54/59/654595459.db2.gz UKSIYZMQSMAMLQ-GFCCVEGCSA-N 0 0 382.869 2.634 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000041181162 654623621 /nfs/dbraw/zinc/62/36/21/654623621.db2.gz USWYLLXMUHWETM-NSHDSACASA-N 0 0 380.853 2.559 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccs1 ZINC000048881708 654713395 /nfs/dbraw/zinc/71/33/95/654713395.db2.gz NDIFTRMKJHBCCZ-SECBINFHSA-N 0 0 388.417 2.560 10 0 GFAERN COC(=O)c1cc(I)cc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000122827368 654743832 /nfs/dbraw/zinc/74/38/32/654743832.db2.gz WJDYKJBOOPNNQL-PELKAZGASA-N 0 0 389.189 2.584 10 0 GFAERN Cc1csc([C@H]2CN(c3ccc(S(=O)(=O)C(C)(C)C)nc3)CCO2)n1 ZINC000123952864 654766955 /nfs/dbraw/zinc/76/69/55/654766955.db2.gz LBZJEFWVQZSAKP-CQSZACIVSA-N 0 0 381.523 2.997 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000055545198 654776207 /nfs/dbraw/zinc/77/62/07/654776207.db2.gz GETXJMLGJDAYIX-GFCCVEGCSA-N 0 0 380.388 2.570 10 0 GFAERN COc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)c(C)n1 ZINC000126638035 654817297 /nfs/dbraw/zinc/81/72/97/654817297.db2.gz GEZSTRVRCKTOHX-SNVBAGLBSA-N 0 0 392.253 2.977 10 0 GFAERN C[C@H](C(=O)N(C)CC(=O)N[C@@H](C)c1cccc(Br)c1)n1cccn1 ZINC000058854836 654823346 /nfs/dbraw/zinc/82/33/46/654823346.db2.gz SYMAATUSQNCAGZ-QWHCGFSZSA-N 0 0 393.285 2.542 10 0 GFAERN C[C@@H](NC(=O)N(CCS(C)(=O)=O)C1CC1)c1cccc(Br)c1 ZINC000127853527 654835812 /nfs/dbraw/zinc/83/58/12/654835812.db2.gz HBUXKWDMUVKPJL-LLVKDONJSA-N 0 0 389.315 2.729 10 0 GFAERN CCOc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000128653950 654850094 /nfs/dbraw/zinc/85/00/94/654850094.db2.gz INNABQPTHWZEPG-QWRGUYRKSA-N 0 0 378.288 2.646 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000133604560 654968069 /nfs/dbraw/zinc/96/80/69/654968069.db2.gz AKEAYBJACGLHEX-LLVKDONJSA-N 0 0 385.247 2.726 10 0 GFAERN C[C@@H](NC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1Br ZINC000069917574 654989280 /nfs/dbraw/zinc/98/92/80/654989280.db2.gz KENCXGWMNDZTTC-GHMZBOCLSA-N 0 0 377.304 2.585 10 0 GFAERN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000134343094 654991224 /nfs/dbraw/zinc/99/12/24/654991224.db2.gz DDUAPSNXZDCBGE-GXTWGEPZSA-N 0 0 377.286 2.741 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)c1ccc(Cl)s1 ZINC000071017182 654998113 /nfs/dbraw/zinc/99/81/13/654998113.db2.gz WTPKRLSEKLQJIR-SNVBAGLBSA-N 0 0 375.841 2.798 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)c1ccc(Cl)s1 ZINC000071017405 654998434 /nfs/dbraw/zinc/99/84/34/654998434.db2.gz HCFYSYMBTJSDGL-SNVBAGLBSA-N 0 0 375.841 2.798 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)NCCOc3ncc(Cl)cc3Cl)C2)cn1 ZINC000134866801 655004548 /nfs/dbraw/zinc/00/45/48/655004548.db2.gz RYRYCUPELZILFU-NSHDSACASA-N 0 0 384.267 2.700 10 0 GFAERN CCOCCOc1ccc(Br)cc1CN1CCC[C@H]1C(=O)NC ZINC000092099362 655011689 /nfs/dbraw/zinc/01/16/89/655011689.db2.gz CVXNZTNHCYJMQM-HNNXBMFYSA-N 0 0 385.302 2.575 10 0 GFAERN C[C@H]1CN(C(=O)Nc2cc(F)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000136446649 655031672 /nfs/dbraw/zinc/03/16/72/655031672.db2.gz GRQLYMFOSSZBOW-NHYWBVRUSA-N 0 0 386.265 2.773 10 0 GFAERN C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1c(Cl)ccc(F)c1Cl ZINC000097699395 655037659 /nfs/dbraw/zinc/03/76/59/655037659.db2.gz WWSWZXJASQOIMK-SECBINFHSA-N 0 0 397.299 2.981 10 0 GFAERN COCCN1C[C@H](C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1=O ZINC000097699420 655037742 /nfs/dbraw/zinc/03/77/42/655037742.db2.gz UNOVETQXRQAWEM-VHSXEESVSA-N 0 0 377.243 2.805 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)Cc3ccccc3I)C2)cn1 ZINC000137895582 655041910 /nfs/dbraw/zinc/04/19/10/655041910.db2.gz NMMVENKJMXBZRU-ZDUSSCGKSA-N 0 0 395.244 2.583 10 0 GFAERN COCC[C@@H](C)NC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC000101991935 655049677 /nfs/dbraw/zinc/04/96/77/655049677.db2.gz NIKXDLNONWPNLD-BXUZGUMPSA-N 0 0 387.274 2.778 10 0 GFAERN COC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000103392319 655072021 /nfs/dbraw/zinc/07/20/21/655072021.db2.gz SRWVWKPIKFATID-GFCCVEGCSA-N 0 0 383.286 2.909 10 0 GFAERN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000106194007 655104753 /nfs/dbraw/zinc/10/47/53/655104753.db2.gz CRNWTJKGWGXXTP-OCCSQVGLSA-N 0 0 383.279 2.918 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000106396629 655107814 /nfs/dbraw/zinc/10/78/14/655107814.db2.gz KOPZHPOOJTVWBV-QGZVFWFLSA-N 0 0 395.341 2.786 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000106394647 655107828 /nfs/dbraw/zinc/10/78/28/655107828.db2.gz OREZBJQCXJHJBK-LBPRGKRZSA-N 0 0 375.694 2.631 10 0 GFAERN CC(C)n1nnnc1CSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000107075942 655117156 /nfs/dbraw/zinc/11/71/56/655117156.db2.gz NQVAPQBJVYFEFY-UHFFFAOYSA-N 0 0 385.284 2.825 10 0 GFAERN O[C@@H](Cn1cnc2c1ncnc2N1CCCC1)c1cccc(Br)c1 ZINC000109198261 655143460 /nfs/dbraw/zinc/14/34/60/655143460.db2.gz LLTMJKAERPHCMH-AWEZNQCLSA-N 0 0 388.269 2.923 10 0 GFAERN O=C(c1ccc(F)cc1Br)N1CCCN(c2cccnn2)CC1 ZINC000109632279 655149219 /nfs/dbraw/zinc/14/92/19/655149219.db2.gz LDWBYJZOPYYPGM-UHFFFAOYSA-N 0 0 379.233 2.731 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)c3cc(Br)ccc3O)CC2)nn1 ZINC000109632745 655149323 /nfs/dbraw/zinc/14/93/23/655149323.db2.gz QXUISTOVBXSTPM-UHFFFAOYSA-N 0 0 391.269 2.606 10 0 GFAERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110883214 655160987 /nfs/dbraw/zinc/16/09/87/655160987.db2.gz AAUQSMRXYBWILG-SMDDNHRTSA-N 0 0 379.869 2.515 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3cccc(Br)c3)CCO2)n1 ZINC000110901675 655161748 /nfs/dbraw/zinc/16/17/48/655161748.db2.gz HXUDWYZJHDVQED-QGZVFWFLSA-N 0 0 392.297 2.733 10 0 GFAERN CC(C)(C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccc(Br)cc1 ZINC000111081342 655164183 /nfs/dbraw/zinc/16/41/83/655164183.db2.gz XWNJIQVIILUKFH-INIZCTEOSA-N 0 0 392.297 2.851 10 0 GFAERN O=C(N1CCO[C@H](Cn2cccn2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000111087122 655164455 /nfs/dbraw/zinc/16/44/55/655164455.db2.gz YFLANTZWEPJMJN-INIZCTEOSA-N 0 0 390.281 2.605 10 0 GFAERN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCO[C@H](c2nccs2)C1 ZINC000111343976 655169388 /nfs/dbraw/zinc/16/93/88/655169388.db2.gz HIHRTIUXDXHPJO-NSHDSACASA-N 0 0 394.396 2.804 10 0 GFAERN CCS(=O)(=O)c1ccc2oc(=S)n(CN3CCC([C@H](C)O)CC3)c2c1 ZINC000173357228 655169362 /nfs/dbraw/zinc/16/93/62/655169362.db2.gz JMBPMLKEESXKHK-LBPRGKRZSA-N 0 0 384.523 2.808 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(Cl)ccc2Br)C[C@H]1N1CCOCC1 ZINC000173401918 655170049 /nfs/dbraw/zinc/17/00/49/655170049.db2.gz VQDLXHMOGNEBLA-XHDPSFHLSA-N 0 0 387.705 2.895 10 0 GFAERN CC[C@H](NC(=O)N1CCC[C@H](NC(C)=O)C1)c1nc(C(F)(F)F)cs1 ZINC000173732121 655178438 /nfs/dbraw/zinc/17/84/38/655178438.db2.gz ZERCWZLAVLJJSS-QWRGUYRKSA-N 0 0 378.420 2.923 10 0 GFAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000112303762 655187942 /nfs/dbraw/zinc/18/79/42/655187942.db2.gz NAHOIULIDBFFIO-BZQUYTCOSA-N 0 0 386.945 2.758 10 0 GFAERN Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c(C)cc1Br ZINC000173985367 655188288 /nfs/dbraw/zinc/18/82/88/655188288.db2.gz QLBDEKWGUVFUJZ-CYBMUJFWSA-N 0 0 399.314 2.683 10 0 GFAERN O=C(CCOc1ccc(Cl)cc1Br)N[C@@H]1CCc2ncnn2C1 ZINC000112660113 655194607 /nfs/dbraw/zinc/19/46/07/655194607.db2.gz FISIMWNPKDJOGB-LLVKDONJSA-N 0 0 399.676 2.594 10 0 GFAERN O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1CCc2ncnn2C1 ZINC000112661530 655194645 /nfs/dbraw/zinc/19/46/45/655194645.db2.gz NPTXNOKSBKZMCL-MRVPVSSYSA-N 0 0 375.643 2.748 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@H]1C ZINC000174302621 655198043 /nfs/dbraw/zinc/19/80/43/655198043.db2.gz PAUGQNOYNFJVRC-GHMZBOCLSA-N 0 0 375.694 2.630 10 0 GFAERN COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)ccc1Br ZINC000174606527 655205179 /nfs/dbraw/zinc/20/51/79/655205179.db2.gz NFQSLVWAMYMGIB-CQSZACIVSA-N 0 0 392.253 2.676 10 0 GFAERN C[C@H](OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CCOC1 ZINC000175263808 655217019 /nfs/dbraw/zinc/21/70/19/655217019.db2.gz OSHZEQFMKQBDNU-RWMBFGLXSA-N 0 0 382.254 2.770 10 0 GFAERN C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000175613846 655223664 /nfs/dbraw/zinc/22/36/64/655223664.db2.gz NYELOGAHDQNQIB-GUYCJALGSA-N 0 0 386.323 2.898 10 0 GFAERN C[C@H](NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000175622675 655223998 /nfs/dbraw/zinc/22/39/98/655223998.db2.gz MGEGAKOKFLIXJL-GRDNDAEWSA-N 0 0 396.329 2.872 10 0 GFAERN COc1cc(NC(=O)C(=O)N[C@H]2COc3ccccc32)ccc1Br ZINC000175980729 655231095 /nfs/dbraw/zinc/23/10/95/655231095.db2.gz DUMGEOFITVUPPF-ZDUSSCGKSA-N 0 0 391.221 2.646 10 0 GFAERN O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC[C@@H]1c1ccco1 ZINC000116453547 655247876 /nfs/dbraw/zinc/24/78/76/655247876.db2.gz SJXHFIQWJMNIBV-CQSZACIVSA-N 0 0 382.869 2.965 10 0 GFAERN CCOCCN1CCN(C(=O)c2ccc(Br)cc2OC)C[C@H]1C ZINC000117280586 655262815 /nfs/dbraw/zinc/26/28/15/655262815.db2.gz MJTUVGHTLPWZJA-CYBMUJFWSA-N 0 0 385.302 2.641 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000117282358 655262859 /nfs/dbraw/zinc/26/28/59/655262859.db2.gz FCTRPDSKQKASBM-CYBMUJFWSA-N 0 0 387.293 2.700 10 0 GFAERN O=S(=O)(c1cc2cc(Cl)ccc2s1)N1CC[C@H](N2CCOCC2)C1 ZINC000176945402 655263242 /nfs/dbraw/zinc/26/32/42/655263242.db2.gz XGVGNFWDYJRQNI-AWEZNQCLSA-N 0 0 386.926 2.650 10 0 GFAERN O=C(Cc1ccc(Br)cc1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118669505 655280358 /nfs/dbraw/zinc/28/03/58/655280358.db2.gz UJZXZYKZROSXEM-OAHLLOKOSA-N 0 0 375.270 2.567 10 0 GFAERN Cc1cnn(CCNC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c1 ZINC000119082504 655289328 /nfs/dbraw/zinc/28/93/28/655289328.db2.gz UFXIYHZDBIDXBR-UHFFFAOYSA-N 0 0 388.269 2.878 10 0 GFAERN COc1nc(N2CCC[C@@H]2CNC(=O)OC(C)(C)C)ncc1Br ZINC000178807602 655310053 /nfs/dbraw/zinc/31/00/53/655310053.db2.gz IBYCEVYPUMMWGL-SNVBAGLBSA-N 0 0 387.278 2.741 10 0 GFAERN O=C(c1ccc(F)c(I)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000119782295 655314942 /nfs/dbraw/zinc/31/49/42/655314942.db2.gz BUGBNSWDFJRWIE-GFCCVEGCSA-N 0 0 399.207 2.932 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000120154552 655329358 /nfs/dbraw/zinc/32/93/58/655329358.db2.gz AJFLNLUCQGSLKG-RISCZKNCSA-N 0 0 393.285 2.942 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1nc(C2CC2)cs1 ZINC000180932661 655331257 /nfs/dbraw/zinc/33/12/57/655331257.db2.gz OFBQYFLNWGBMMC-JTQLQIEISA-N 0 0 384.454 2.570 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2ccc(Br)nc2C)C[C@@H]1C ZINC000181301306 655334727 /nfs/dbraw/zinc/33/47/27/655334727.db2.gz LYHADGADJNCLPO-LBPRGKRZSA-N 0 0 385.306 2.727 10 0 GFAERN CSCCCCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000181796800 655340403 /nfs/dbraw/zinc/34/04/03/655340403.db2.gz JPRSXRKIBVWGTP-KRWDZBQOSA-N 0 0 384.567 2.879 10 0 GFAERN CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2COc3ccccc32)c1 ZINC000120827092 655344817 /nfs/dbraw/zinc/34/48/17/655344817.db2.gz SFXOWGBHXARGCE-AWEZNQCLSA-N 0 0 397.294 2.927 10 0 GFAERN O=C(OCC1CC1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183524383 655351870 /nfs/dbraw/zinc/35/18/70/655351870.db2.gz HDFRJWUTWLCMBA-INIZCTEOSA-N 0 0 377.487 2.817 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=c1cc(Cl)nc(N)[nH]1 ZINC000183533530 655352037 /nfs/dbraw/zinc/35/20/37/655352037.db2.gz OXECFCVYRFGCGH-ZCFIWIBFSA-N 0 0 376.631 2.930 10 0 GFAERN O=C(OC1CCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183646999 655352787 /nfs/dbraw/zinc/35/27/87/655352787.db2.gz MYSWJQPXHCZTOE-MRXNPFEDSA-N 0 0 377.487 2.959 10 0 GFAERN Cc1ccc(S(=O)(=O)C[C@@H](C)NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000186357773 655369012 /nfs/dbraw/zinc/36/90/12/655369012.db2.gz HEHDKBPNEUUCOG-CJTWTEFWSA-N 0 0 379.503 2.748 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(Br)cc1OC ZINC000188465909 655379932 /nfs/dbraw/zinc/37/99/32/655379932.db2.gz LHIFBTTVFGIKES-CYBMUJFWSA-N 0 0 387.274 2.845 10 0 GFAERN CCc1nnc([C@H]2CN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)CCO2)o1 ZINC000328632765 655386833 /nfs/dbraw/zinc/38/68/33/655386833.db2.gz SDGSRXPLZDCFBW-DNGMOHDESA-N 0 0 383.857 2.659 10 0 GFAERN C[C@H]1C(=O)NCCCN1Cn1nc(Cc2c(F)cccc2Cl)oc1=S ZINC000190709481 655394384 /nfs/dbraw/zinc/39/43/84/655394384.db2.gz RHPGTEPTSSYGSW-JTQLQIEISA-N 0 0 384.864 2.757 10 0 GFAERN C[C@@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)c1ccc(Br)o1 ZINC000223530606 655422255 /nfs/dbraw/zinc/42/22/55/655422255.db2.gz RVSLCTZLYIAGDS-ZCFIWIBFSA-N 0 0 379.136 2.869 10 0 GFAERN O=C(c1cnc(-n2cnnc2)c(Br)c1)N1CCc2ccccc2C1 ZINC000223070945 655422351 /nfs/dbraw/zinc/42/23/51/655422351.db2.gz BMBXAFALTFSGDC-UHFFFAOYSA-N 0 0 384.237 2.623 10 0 GFAERN Cc1cnc([C@H](C)NS(=O)(=O)c2cc(Br)cnc2Cl)o1 ZINC000226556310 655422748 /nfs/dbraw/zinc/42/27/48/655422748.db2.gz LRLOIHSPLDNQHY-ZETCQYMHSA-N 0 0 380.651 2.833 10 0 GFAERN CC(=O)N[C@H](CC(=O)O[C@@H](C)[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000246406231 655429891 /nfs/dbraw/zinc/42/98/91/655429891.db2.gz AUUWYLSSRALAKD-HZUKXOBISA-N 0 0 384.270 2.985 10 0 GFAERN Cc1csc([C@H]2CCCN([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000249869290 655434795 /nfs/dbraw/zinc/43/47/95/655434795.db2.gz JAGWQFKFLDLRSC-NEPJUHHUSA-N 0 0 378.523 2.819 10 0 GFAERN O=S(=O)(/C=C\c1ccccc1)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000255454858 655439091 /nfs/dbraw/zinc/43/90/91/655439091.db2.gz OCXRGNFIMZLHNT-RAXLEYEMSA-N 0 0 378.475 2.639 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C\c1ccccc1Cl ZINC000886048126 663102724 /nfs/dbraw/zinc/10/27/24/663102724.db2.gz VCOHPXVVXSQRDB-GDAGCXPBSA-N 0 0 382.873 2.503 10 0 GFAERN CC(C)Cn1cc(C(=O)NCc2cccs2)c(=O)c(C(=O)NC(C)C)c1 ZINC000014994808 210141212 /nfs/dbraw/zinc/14/12/12/210141212.db2.gz VNPXIOGQFWAXDT-UHFFFAOYSA-N 0 0 375.494 2.634 10 0 GFAERN COc1cccc(CN2CCCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)c1 ZINC000012755501 210001327 /nfs/dbraw/zinc/00/13/27/210001327.db2.gz IIAQNUHGGWWOBU-FQEVSTJZSA-N 0 0 392.463 2.664 10 0 GFAERN Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)N(C)c1ccccc1 ZINC000012207983 209920571 /nfs/dbraw/zinc/92/05/71/209920571.db2.gz MQQMGDLZWMFIQK-UHFFFAOYSA-N 0 0 394.518 2.750 10 0 GFAERN C[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000004712620 209516942 /nfs/dbraw/zinc/51/69/42/209516942.db2.gz SQIHOUMNYUKHSF-KBXCAEBGSA-N 0 0 398.434 2.965 10 0 GFAERN Ic1ncnc2c1ncn2[C@H]1COc2ccccc2CO1 ZINC000029128826 209244347 /nfs/dbraw/zinc/24/43/47/209244347.db2.gz YHCREEWGPUDUBG-LLVKDONJSA-N 0 0 394.172 2.539 10 0 GFAERN CCc1c(=O)[nH]c(=O)n(COCCO)c1Sc1cc(Cl)cc(Cl)c1 ZINC000006424956 209233447 /nfs/dbraw/zinc/23/34/47/209233447.db2.gz MHEVAGSEJUCLJG-UHFFFAOYSA-N 0 0 391.276 2.523 10 0 GFAERN Cc1c(N2C[C@H]3CCC[NH2+][C@H]3C2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12 ZINC000003637719 209229927 /nfs/dbraw/zinc/22/99/27/209229927.db2.gz LPFFKRSIFTURFF-DYVFJYSZSA-N 0 0 385.439 2.511 10 0 GFAERN O=C(Nc1c(=O)[nH]c(-c2ccccc2)nc1N1CCOCC1)c1ccccc1 ZINC000041154956 212042376 /nfs/dbraw/zinc/04/23/76/212042376.db2.gz PXRCPYVUUHSDAM-UHFFFAOYSA-N 0 0 376.416 2.526 10 0 GFAERN O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cnc2sccn2c1=O ZINC000028233848 211881849 /nfs/dbraw/zinc/88/18/49/211881849.db2.gz NKNOYODYFMBIIU-UHFFFAOYSA-N 0 0 385.836 2.907 10 0 GFAERN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)N1CCC2(CC1)OCCO2 ZINC000096386851 211338423 /nfs/dbraw/zinc/33/84/23/211338423.db2.gz NNHWRYSIQDXOSV-SFHVURJKSA-N 0 0 393.443 2.539 10 0 GFAERN CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000085473300 211176331 /nfs/dbraw/zinc/17/63/31/211176331.db2.gz HEPWCOHMSQJSLO-JKSUJKDBSA-N 0 0 392.452 2.711 10 0 GFAERN NC(=O)c1cc(N)cc2nc(-c3cccc(I)c3)oc21 ZINC000073641716 210747651 /nfs/dbraw/zinc/74/76/51/210747651.db2.gz DPDWQUMGIHNLQW-UHFFFAOYSA-N 0 0 379.157 2.781 10 0 GFAERN COCC(=O)N(Cc1ccc(OCc2nc(CO)cs2)cc1)CC1CC1 ZINC000036094254 210710023 /nfs/dbraw/zinc/71/00/23/210710023.db2.gz LKIJJWHSXNMASU-UHFFFAOYSA-N 0 0 376.478 2.599 10 0 GFAERN Cc1nc2c(s1)n(CC(=O)NCc1ccco1)c(=O)nc2-c1cccs1 ZINC000032615862 210578470 /nfs/dbraw/zinc/57/84/70/210578470.db2.gz IFAKQGAFPOYIAK-UHFFFAOYSA-N 0 0 386.458 2.799 10 0 GFAERN Cc1ccc(-c2ccc(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)nn2)cc1 ZINC000040921902 132409502 /nfs/dbraw/zinc/40/95/02/132409502.db2.gz QHHPGJQBHGLATG-LJQANCHMSA-N 0 0 380.492 2.964 10 0 GFAERN O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCCc1ccccn1 ZINC000065245212 136161381 /nfs/dbraw/zinc/16/13/81/136161381.db2.gz GKOITVYSWDQAIF-KRWDZBQOSA-N 0 0 394.523 2.801 10 0 GFAERN C[C@H]1CC[C@H](O)CN1C(=O)c1cc(Cl)ccc1I ZINC000399154683 563533711 /nfs/dbraw/zinc/53/37/11/563533711.db2.gz AWGKBZHHDZMNDL-WPRPVWTQSA-N 0 0 379.625 2.930 10 0 GFAERN Cc1ccc(-c2nc(-c3ccncc3)cc(N3CC[NH+](CC(=O)[O-])CC3)n2)cc1 ZINC000073685440 525798238 /nfs/dbraw/zinc/79/82/38/525798238.db2.gz HJXHEQPTKOCPEO-UHFFFAOYSA-N 0 0 389.459 2.721 10 0 GFAERN O=C([O-])[C@H]1CCC[N@H+](Cc2nnn(-c3cc(F)cc(F)c3)c2-c2ccncc2)C1 ZINC000057345239 526322783 /nfs/dbraw/zinc/32/27/83/526322783.db2.gz PTQWXKZNBZXTPV-AWEZNQCLSA-N 0 0 399.401 2.904 10 0 GFAERN O=c1c2sccc2nc(N2CCC(O)CC2)n1Cc1c(F)cccc1F ZINC000057344625 527472952 /nfs/dbraw/zinc/47/29/52/527472952.db2.gz NZGRWXRVNCKUNP-UHFFFAOYSA-N 0 0 377.416 2.746 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000060731169 551183775 /nfs/dbraw/zinc/18/37/75/551183775.db2.gz HFPZSHGPQGVBBV-CQSZACIVSA-N 0 0 375.222 2.946 10 0 GFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000106606744 551201022 /nfs/dbraw/zinc/20/10/22/551201022.db2.gz GSLVFFOSHXRQKE-HNNXBMFYSA-N 0 0 392.253 2.803 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NCCOc2ccc(Br)cc2)ncn1 ZINC000110333452 551204114 /nfs/dbraw/zinc/20/41/14/551204114.db2.gz SYNNWXKJHWRTSP-AWEZNQCLSA-N 0 0 393.285 2.691 10 0 GFAERN O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC[C@@H]1c1ccco1 ZINC000116044673 551211407 /nfs/dbraw/zinc/21/14/07/551211407.db2.gz BTFOARLWPDHQSH-CYBMUJFWSA-N 0 0 375.475 2.946 10 0 GFAERN Cc1ccc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000116311138 551211731 /nfs/dbraw/zinc/21/17/31/551211731.db2.gz OZAJTISZZCLNJR-ZDUSSCGKSA-N 0 0 377.286 2.919 10 0 GFAERN COc1ccc(CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1Br ZINC000116427517 551213197 /nfs/dbraw/zinc/21/31/97/551213197.db2.gz HGMPQHKOAKUBEF-CYBMUJFWSA-N 0 0 393.285 2.890 10 0 GFAERN O=C(Nc1ccccc1Br)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119516651 551217424 /nfs/dbraw/zinc/21/74/24/551217424.db2.gz HCQFGLVEPVKSRI-UHFFFAOYSA-N 0 0 377.242 2.517 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nnc2n1CCCC2 ZINC000121698053 551240004 /nfs/dbraw/zinc/24/00/04/551240004.db2.gz YMHIWYGSAGTGLA-VIFPVBQESA-N 0 0 375.281 2.961 10 0 GFAERN O=C(NCCS(=O)(=O)c1ccccc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000121772620 551242442 /nfs/dbraw/zinc/24/24/42/551242442.db2.gz JOGFRPAJIOULMI-OLZOCXBDSA-N 0 0 378.416 2.881 10 0 GFAERN O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123302581 551305146 /nfs/dbraw/zinc/30/51/46/551305146.db2.gz ZBADGCIFFSQYHK-YVEFUNNKSA-N 0 0 381.270 2.541 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(Br)cnc1Cl ZINC000125053139 551319270 /nfs/dbraw/zinc/31/92/70/551319270.db2.gz UZDXLNDQUSAWGH-NSHDSACASA-N 0 0 396.676 2.686 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1Cl ZINC000128744119 551351849 /nfs/dbraw/zinc/35/18/49/551351849.db2.gz AZCXGWZDPZOGSA-SNVBAGLBSA-N 0 0 391.873 2.922 10 0 GFAERN CCNc1ncc(C(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)s1 ZINC000129597944 551358063 /nfs/dbraw/zinc/35/80/63/551358063.db2.gz LIDQMZBIWKAPNS-CYBMUJFWSA-N 0 0 380.539 2.748 10 0 GFAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC[C@@H]2CCCS2)cc1 ZINC000130112180 551362304 /nfs/dbraw/zinc/36/23/04/551362304.db2.gz CIEWXTGDEFYUSZ-DOTOQJQBSA-N 0 0 384.567 2.700 10 0 GFAERN O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130718615 551368195 /nfs/dbraw/zinc/36/81/95/551368195.db2.gz MJPSTQKWDGEPKZ-RNCFNFMXSA-N 0 0 389.677 2.708 10 0 GFAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C)c1ccccc1Br ZINC000131129355 551372750 /nfs/dbraw/zinc/37/27/50/551372750.db2.gz OGNHWXOGVUXEFY-SRVKXCTJSA-N 0 0 389.315 2.727 10 0 GFAERN O=C(CSc1nncn1-c1cccc(Cl)c1)N[C@@H]1CCCC[C@H]1CO ZINC000151040969 551406230 /nfs/dbraw/zinc/40/62/30/551406230.db2.gz UZONJEIFCITCRN-SWLSCSKDSA-N 0 0 380.901 2.680 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)c1ccc(Cl)s1 ZINC000151169160 551408604 /nfs/dbraw/zinc/40/86/04/551408604.db2.gz NFAZOOSUBDDLLH-ZETCQYMHSA-N 0 0 380.779 2.976 10 0 GFAERN COC[C@H](NC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CC1 ZINC000151975577 551424002 /nfs/dbraw/zinc/42/40/02/551424002.db2.gz OWHHCQFVRPUFFG-CLAHSXSESA-N 0 0 385.247 2.519 10 0 GFAERN COC[C@@H](NC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CC1 ZINC000151975749 551424089 /nfs/dbraw/zinc/42/40/89/551424089.db2.gz OWHHCQFVRPUFFG-XLKFXECMSA-N 0 0 385.247 2.519 10 0 GFAERN CSC[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000153721765 551459090 /nfs/dbraw/zinc/45/90/90/551459090.db2.gz LHLDIRXFBRFCDS-CVEARBPZSA-N 0 0 383.583 2.967 10 0 GFAERN O=C(NCCc1nc2c(s1)CCCC2)N1CCO[C@@H](c2nccs2)C1 ZINC000153892089 551462746 /nfs/dbraw/zinc/46/27/46/551462746.db2.gz GEKBBZNQUYGPMR-CYBMUJFWSA-N 0 0 378.523 2.804 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Br)c(F)c1 ZINC000154994968 551488252 /nfs/dbraw/zinc/48/82/52/551488252.db2.gz ZMBSQGKZTWWVCG-LBPRGKRZSA-N 0 0 383.221 2.591 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccncc3Br)C2)n1 ZINC000155201308 551494088 /nfs/dbraw/zinc/49/40/88/551494088.db2.gz CBMRJKOHLPQZRE-CYBMUJFWSA-N 0 0 378.274 2.605 10 0 GFAERN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1Br)CN1CCOCC1 ZINC000155274522 551495987 /nfs/dbraw/zinc/49/59/87/551495987.db2.gz SPZWIDLRTXCQRI-KBPBESRZSA-N 0 0 384.318 2.778 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000155304560 551497055 /nfs/dbraw/zinc/49/70/55/551497055.db2.gz YIWSFHKYTBTCCN-IUCAKERBSA-N 0 0 375.650 2.677 10 0 GFAERN C[C@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@@H]1CCCO1 ZINC000156831576 551528645 /nfs/dbraw/zinc/52/86/45/551528645.db2.gz ORBFPACONWVSHN-NHYWBVRUSA-N 0 0 389.265 2.660 10 0 GFAERN CC[C@H](COC)NC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC000157514810 551538557 /nfs/dbraw/zinc/53/85/57/551538557.db2.gz DLOTZUIUXGFXHP-ZIAGYGMSSA-N 0 0 387.274 2.778 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000159026919 551559493 /nfs/dbraw/zinc/55/94/93/551559493.db2.gz HLMGMJGLDQUBCT-ZFWWWQNUSA-N 0 0 393.285 2.942 10 0 GFAERN COC(=O)[C@H](N[C@H](C)c1nnc2n1CCCC2)c1cccc(Br)c1 ZINC000158984954 551559682 /nfs/dbraw/zinc/55/96/82/551559682.db2.gz ATXFUYCFELXOOZ-IAQYHMDHSA-N 0 0 393.285 2.942 10 0 GFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000161687348 551597202 /nfs/dbraw/zinc/59/72/02/551597202.db2.gz USAKQOSBSMKIHF-ZETCQYMHSA-N 0 0 393.079 2.706 10 0 GFAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000162742749 551612032 /nfs/dbraw/zinc/61/20/32/551612032.db2.gz XXRFGDURVZBZLR-CQSZACIVSA-N 0 0 397.269 2.675 10 0 GFAERN CCN(CCS(C)(=O)=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000162929888 551614631 /nfs/dbraw/zinc/61/46/31/551614631.db2.gz LRARZKNRKVHFEX-NSHDSACASA-N 0 0 377.304 2.586 10 0 GFAERN C[C@H](NC(=O)Cc1ccc(Br)c(F)c1)c1nnc2n1CCCC2 ZINC000164361812 551625205 /nfs/dbraw/zinc/62/52/05/551625205.db2.gz ZBTCHOSQZCZOIP-JTQLQIEISA-N 0 0 381.249 2.936 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000171073984 551645778 /nfs/dbraw/zinc/64/57/78/551645778.db2.gz CNXWDPGQEGKAMX-YGRLFVJLSA-N 0 0 391.320 2.919 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCS[C@H](C)C1 ZINC000171413393 551655085 /nfs/dbraw/zinc/65/50/85/551655085.db2.gz RXWKDOKWNNBSPX-LLVKDONJSA-N 0 0 386.315 2.843 10 0 GFAERN Brc1cc2c(cc1CN1CCC[C@H](n3cncn3)C1)OCCO2 ZINC000171703964 551661319 /nfs/dbraw/zinc/66/13/19/551661319.db2.gz ROPLFUDLRKUDHZ-ZDUSSCGKSA-N 0 0 379.258 2.649 10 0 GFAERN COCCN(C[C@H](O)COc1cccc(Br)c1)CC(F)(F)F ZINC000171827355 551664537 /nfs/dbraw/zinc/66/45/37/551664537.db2.gz OYQOHBAWEXOTOM-LBPRGKRZSA-N 0 0 386.208 2.700 10 0 GFAERN CC(C)(C(=O)N1CC[C@H](N2CCOCC2)C1)c1cccc(Br)c1 ZINC000172764543 551686210 /nfs/dbraw/zinc/68/62/10/551686210.db2.gz HFABUNVKARPZDD-INIZCTEOSA-N 0 0 381.314 2.660 10 0 GFAERN O=C(c1cc2cc(Br)ccc2o1)N1CC[C@H](N2CCOCC2)C1 ZINC000172750489 551686302 /nfs/dbraw/zinc/68/63/02/551686302.db2.gz LGPVOAVHPIODIS-AWEZNQCLSA-N 0 0 379.254 2.742 10 0 GFAERN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749384 551686473 /nfs/dbraw/zinc/68/64/73/551686473.db2.gz PJYHGXXSTTXSRD-FUHWJXTLSA-N 0 0 395.341 2.951 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)Cc2cc(Br)ccc2OC)C1 ZINC000172936410 551690362 /nfs/dbraw/zinc/69/03/62/551690362.db2.gz FGQTZAXPONNCNF-OAHLLOKOSA-N 0 0 397.313 2.908 10 0 GFAERN C[C@H](COCc1ccccc1)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000172966608 551691239 /nfs/dbraw/zinc/69/12/39/551691239.db2.gz BTADOHHXLXEGQV-CQSZACIVSA-N 0 0 381.881 2.835 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)CCCc3ccc(Br)s3)CCO2)[nH]1 ZINC000173085668 551694794 /nfs/dbraw/zinc/69/47/94/551694794.db2.gz PYXOINDKDBTRBX-LBPRGKRZSA-N 0 0 399.314 2.860 10 0 GFAERN CC(C)n1cc(Br)cc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000173090540 551695246 /nfs/dbraw/zinc/69/52/46/551695246.db2.gz VYRJZZGZFXHBCL-UHFFFAOYSA-N 0 0 392.301 2.974 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3cc4cc(Br)ccc4[nH]3)CCO2)[nH]1 ZINC000173085774 551695448 /nfs/dbraw/zinc/69/54/48/551695448.db2.gz MKRNCNFAMNVJIE-CQSZACIVSA-N 0 0 390.241 2.571 10 0 GFAERN O=S(=O)(c1ccc(F)c(Br)c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000173194480 552079002 /nfs/dbraw/zinc/07/90/02/552079002.db2.gz HTMJMRWNSYCPNA-UONOGXRCSA-N 0 0 378.263 2.920 10 0 GFAERN Cn1cc([C@H]2CCCN2[C@H](C(N)=O)c2ccc(Br)cc2F)cn1 ZINC000173316823 552082861 /nfs/dbraw/zinc/08/28/61/552082861.db2.gz CSXKIDBIIOICGX-CABCVRRESA-N 0 0 381.249 2.685 10 0 GFAERN COc1c(Br)c(C)sc1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000173636758 552089893 /nfs/dbraw/zinc/08/98/93/552089893.db2.gz DMLBLJUCGYEZEQ-NSHDSACASA-N 0 0 399.314 2.972 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@@H]1N1CCOCC1 ZINC000173807379 552092721 /nfs/dbraw/zinc/09/27/21/552092721.db2.gz DXDMWWZAOWLPEX-PXAZEXFGSA-N 0 0 392.297 2.723 10 0 GFAERN C[C@H]1CN(C(=O)CCc2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000173825212 552093115 /nfs/dbraw/zinc/09/31/15/552093115.db2.gz UIGAWJUOABDKJX-YOEHRIQHSA-N 0 0 381.314 2.561 10 0 GFAERN C[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)C[C@H]1N1CCOCC1 ZINC000173843202 552093860 /nfs/dbraw/zinc/09/38/60/552093860.db2.gz AILDLDYSXNLBFE-DZGCQCFKSA-N 0 0 377.535 2.593 10 0 GFAERN C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@H]1N1CCOCC1 ZINC000173846059 552094367 /nfs/dbraw/zinc/09/43/67/552094367.db2.gz CQQUCINKYVTPCV-IUODEOHRSA-N 0 0 387.343 2.622 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@H]1C ZINC000174346452 552102808 /nfs/dbraw/zinc/10/28/08/552102808.db2.gz IPANUKZKXKJSMP-ZIAGYGMSSA-N 0 0 383.330 2.640 10 0 GFAERN C[C@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)s1 ZINC000175016254 552113598 /nfs/dbraw/zinc/11/35/98/552113598.db2.gz CROMZGFZVXUVSP-QWRGUYRKSA-N 0 0 381.889 2.691 10 0 GFAERN COc1cc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)ccc1Br ZINC000175021614 552114172 /nfs/dbraw/zinc/11/41/72/552114172.db2.gz RGVBPMOYTJAPRO-CYBMUJFWSA-N 0 0 395.257 2.587 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc(S(C)(=O)=O)nc3)C2)n1 ZINC000175101664 552115932 /nfs/dbraw/zinc/11/59/32/552115932.db2.gz JHHLFLDPHRZPJW-GFCCVEGCSA-N 0 0 380.495 2.662 10 0 GFAERN CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000175213422 552117695 /nfs/dbraw/zinc/11/76/95/552117695.db2.gz PCASERZUZXXIMX-MRXNPFEDSA-N 0 0 384.498 2.581 10 0 GFAERN C[C@H]1CN([C@@H](CNS(=O)(=O)Cc2ccccc2)c2cccs2)CCO1 ZINC000175223378 552118428 /nfs/dbraw/zinc/11/84/28/552118428.db2.gz PAMIIXBTCATEQV-RDJZCZTQSA-N 0 0 380.535 2.630 10 0 GFAERN CN1CCO[C@@H](CNC(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000175907419 552131776 /nfs/dbraw/zinc/13/17/76/552131776.db2.gz BIKLQSWMRHWPAX-AWEZNQCLSA-N 0 0 379.913 2.817 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000176532317 552140746 /nfs/dbraw/zinc/14/07/46/552140746.db2.gz CFXUTHCWNKLTGQ-CQSZACIVSA-N 0 0 378.885 2.807 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc(F)cc3Br)CCO2)[nH]1 ZINC000177023929 552150070 /nfs/dbraw/zinc/15/00/70/552150070.db2.gz ZXYLHVVETYEEJI-LBPRGKRZSA-N 0 0 384.209 2.620 10 0 GFAERN O=C(c1ccccc1I)N1CCC[C@@H]1Cn1ccnc1 ZINC000177781881 552158860 /nfs/dbraw/zinc/15/88/60/552158860.db2.gz YKAIJIKYQFKOQJ-GFCCVEGCSA-N 0 0 381.217 2.793 10 0 GFAERN CC(C)c1csc(CNC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)n1 ZINC000177837985 552159532 /nfs/dbraw/zinc/15/95/32/552159532.db2.gz UGNRXBGWCYMLRP-ZDUSSCGKSA-N 0 0 379.507 2.984 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000178989489 552181204 /nfs/dbraw/zinc/18/12/04/552181204.db2.gz SHPUMUCYDYSIEV-ZDUSSCGKSA-N 0 0 386.880 2.800 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000180045245 552211045 /nfs/dbraw/zinc/21/10/45/552211045.db2.gz UEYFWUKTARASQM-UHFFFAOYSA-N 0 0 380.470 2.984 10 0 GFAERN Cc1nc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)sc1Br ZINC000180110884 552213979 /nfs/dbraw/zinc/21/39/79/552213979.db2.gz HCPSHMUJROMZAK-ZWNOBZJWSA-N 0 0 395.344 2.530 10 0 GFAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1C(F)(F)F ZINC000180532589 552228878 /nfs/dbraw/zinc/22/88/78/552228878.db2.gz SOKPICJPXJWQFS-SECBINFHSA-N 0 0 389.175 2.804 10 0 GFAERN CCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1cccc(Cl)c1Cl)CC2 ZINC000180625197 552231936 /nfs/dbraw/zinc/23/19/36/552231936.db2.gz GDNUIVKPJUATFB-QFYYESIMSA-N 0 0 383.279 2.966 10 0 GFAERN O=C(Nc1ccc(Cl)c(OC(F)F)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000181892815 552269714 /nfs/dbraw/zinc/26/97/14/552269714.db2.gz VLIPYFLXFZWRHD-BXKDBHETSA-N 0 0 376.787 2.547 10 0 GFAERN O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000183145103 552301500 /nfs/dbraw/zinc/30/15/00/552301500.db2.gz ZPQTZJUTGFBYON-ZIAGYGMSSA-N 0 0 395.253 2.564 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183535855 552312322 /nfs/dbraw/zinc/31/23/22/552312322.db2.gz FEQWDBYLIVZEID-BXKDBHETSA-N 0 0 376.787 2.547 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000184379461 552333974 /nfs/dbraw/zinc/33/39/74/552333974.db2.gz DNCHBHPLJXYRKO-GFCCVEGCSA-N 0 0 377.819 2.862 10 0 GFAERN CCN(CC(F)F)C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 ZINC000184647571 552341132 /nfs/dbraw/zinc/34/11/32/552341132.db2.gz PBGUVRSQYLWZHX-OAHLLOKOSA-N 0 0 376.469 2.802 10 0 GFAERN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000184907620 552347565 /nfs/dbraw/zinc/34/75/65/552347565.db2.gz SXLXPSIVJFUFFS-ZANVPECISA-N 0 0 378.778 2.965 10 0 GFAERN C[C@H](NC(=O)NC(C)(C)COc1ncccc1Br)[C@@H]1CCCO1 ZINC000185471497 552363717 /nfs/dbraw/zinc/36/37/17/552363717.db2.gz WAZYPOWADUPWGS-AAEUAGOBSA-N 0 0 386.290 2.868 10 0 GFAERN CC(C)C(=O)NCCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186079839 552378102 /nfs/dbraw/zinc/37/81/02/552378102.db2.gz WRXVVTCVERZCPR-MRXNPFEDSA-N 0 0 377.286 2.690 10 0 GFAERN O=C(NC1CN(S(=O)(=O)c2cc3cc(Cl)ccc3s2)C1)C1CCC1 ZINC000186183919 552381158 /nfs/dbraw/zinc/38/11/58/552381158.db2.gz MWTDMVVSHIIVJK-UHFFFAOYSA-N 0 0 384.910 2.844 10 0 GFAERN CCC(=O)N1CC[C@@H](N[C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186252112 552382880 /nfs/dbraw/zinc/38/28/80/552382880.db2.gz GNLQGJJWODMZPI-SJLPKXTDSA-N 0 0 389.297 2.929 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)COc2cccc(Br)c2)C12CCOCC2 ZINC000187041305 552404697 /nfs/dbraw/zinc/40/46/97/552404697.db2.gz SDOKFBKJYARWBJ-CVEARBPZSA-N 0 0 398.297 2.918 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)COc2ccccc2Br)C12CCOCC2 ZINC000187156018 552407987 /nfs/dbraw/zinc/40/79/87/552407987.db2.gz AYIKDSYAXPRRPX-CVEARBPZSA-N 0 0 398.297 2.918 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cccc(I)c1C ZINC000187691062 552422103 /nfs/dbraw/zinc/42/21/03/552422103.db2.gz NKEPTDFIUYVBNW-OAHLLOKOSA-N 0 0 387.217 2.767 10 0 GFAERN CCc1nnc(CS(=O)(=O)Cc2ccc(Br)c(Cl)c2)n1C ZINC000188853904 552456912 /nfs/dbraw/zinc/45/69/12/552456912.db2.gz DVNRRPWRYDYLQM-UHFFFAOYSA-N 0 0 392.706 2.908 10 0 GFAERN CC(=O)NC1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000190464882 552497540 /nfs/dbraw/zinc/49/75/40/552497540.db2.gz CDDHSTCNZBJOKS-UHFFFAOYSA-N 0 0 382.247 2.928 10 0 GFAERN O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@H]1COc2ccccc21 ZINC000190809437 552509730 /nfs/dbraw/zinc/50/97/30/552509730.db2.gz SYZMPYVQZLBTIS-ZDUSSCGKSA-N 0 0 397.175 2.916 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)Cc2ccc(I)cc2)cn1 ZINC000190922869 552513323 /nfs/dbraw/zinc/51/33/23/552513323.db2.gz ATXZBZSOANDQCM-HNNXBMFYSA-N 0 0 395.244 2.931 10 0 GFAERN Cc1ccc(Br)nc1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000191241236 552522175 /nfs/dbraw/zinc/52/21/75/552522175.db2.gz KXBRNXWPZAPGEB-UHFFFAOYSA-N 0 0 376.258 2.659 10 0 GFAERN Cc1cc(CCNC(=O)Nc2cc(Br)c(=O)n(C)c2)cc(C)c1O ZINC000191522315 552530726 /nfs/dbraw/zinc/53/07/26/552530726.db2.gz BJKYCHRRRUTISD-UHFFFAOYSA-N 0 0 394.269 2.834 10 0 GFAERN CC(C)[C@H](NC(=O)Nc1ccc(Br)cc1OC(F)(F)F)C(N)=O ZINC000191562801 552531968 /nfs/dbraw/zinc/53/19/68/552531968.db2.gz DZAQDHUZDCZFRV-JTQLQIEISA-N 0 0 398.179 2.979 10 0 GFAERN Cc1csc(C(=O)N2CCCN(c3cccnn3)CC2)c1Br ZINC000192040224 552547375 /nfs/dbraw/zinc/54/73/75/552547375.db2.gz AFWGSQCIXSGJDW-UHFFFAOYSA-N 0 0 381.299 2.962 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCN1CCOC ZINC000192123013 552551846 /nfs/dbraw/zinc/55/18/46/552551846.db2.gz NONXOWWTTXBDHA-LLVKDONJSA-N 0 0 391.256 2.910 10 0 GFAERN O=C([C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](CO)[C@H](O)C1 ZINC000192667304 552971265 /nfs/dbraw/zinc/97/12/65/552971265.db2.gz ZZNOQCGUQDCFKK-MDNXKNQGSA-N 0 0 388.291 2.663 10 0 GFAERN COC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1I ZINC000193121565 552984392 /nfs/dbraw/zinc/98/43/92/552984392.db2.gz LNTNDWXKQFVWLZ-LLVKDONJSA-N 0 0 393.608 2.722 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193342520 552990709 /nfs/dbraw/zinc/99/07/09/552990709.db2.gz GJECQSQQEQLZRX-CZUORRHYSA-N 0 0 395.297 2.544 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1ccnn1)c1ccc(Cl)s1 ZINC000193600496 552998105 /nfs/dbraw/zinc/99/81/05/552998105.db2.gz ZKCLJQSMYRQNQE-SNVBAGLBSA-N 0 0 375.841 2.798 10 0 GFAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)C2)c1 ZINC000193746959 553002088 /nfs/dbraw/zinc/00/20/88/553002088.db2.gz ZYSZVAUMXSRTRL-JTQLQIEISA-N 0 0 377.363 2.774 10 0 GFAERN CCOC(=O)[C@@H](NC(=O)CCn1c(C)csc1=O)c1ccc(Cl)cc1 ZINC000193867636 553005370 /nfs/dbraw/zinc/00/53/70/553005370.db2.gz SIHFPYZTMHHUBB-HNNXBMFYSA-N 0 0 382.869 2.682 10 0 GFAERN C[C@H](NC(=O)NCCC(=O)N1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000193907334 553006555 /nfs/dbraw/zinc/00/65/55/553006555.db2.gz CLHCGVZODZOQNG-JTQLQIEISA-N 0 0 392.258 2.742 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CCO2)n1 ZINC000193952425 553007686 /nfs/dbraw/zinc/00/76/86/553007686.db2.gz ZPRNFNQCHMIGCA-GFCCVEGCSA-N 0 0 378.397 2.631 10 0 GFAERN CCc1nnc(C[S@](=O)Cc2csc(-c3cccc(OC)c3)n2)n1C ZINC000194145122 553012819 /nfs/dbraw/zinc/01/28/19/553012819.db2.gz FYIIWLVWMSUWSS-RUZDIDTESA-N 0 0 376.507 2.959 10 0 GFAERN Cn1c(C[S@@](=O)Cc2nc(-c3ccc(Cl)cc3)no2)nnc1C1CC1 ZINC000194157613 553013411 /nfs/dbraw/zinc/01/34/11/553013411.db2.gz OXFDRRQJIGRGHM-RUZDIDTESA-N 0 0 377.857 2.845 10 0 GFAERN Cc1c(Br)ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)c1F ZINC000194202814 553014577 /nfs/dbraw/zinc/01/45/77/553014577.db2.gz AVFQURHCGHZZKT-LBPRGKRZSA-N 0 0 386.265 2.835 10 0 GFAERN CC(C)c1nnc(C[S@@](=O)Cc2cn(-c3ccc(Cl)cc3)nn2)n1C ZINC000194288010 553016596 /nfs/dbraw/zinc/01/65/96/553016596.db2.gz DBQYNJXOVPLGKB-VWLOTQADSA-N 0 0 378.889 2.622 10 0 GFAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCO[C@H](c2nccs2)C1 ZINC000194290992 553017042 /nfs/dbraw/zinc/01/70/42/553017042.db2.gz KQSAKANNJXGHKI-KGLIPLIRSA-N 0 0 395.278 2.809 10 0 GFAERN CCc1nnc(CN(C)CC(=O)Nc2ccc(Br)cc2C)n1C ZINC000195023318 553036216 /nfs/dbraw/zinc/03/62/16/553036216.db2.gz JHTHMZVCWQUQFG-UHFFFAOYSA-N 0 0 380.290 2.519 10 0 GFAERN NC(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1 ZINC000195393799 553047048 /nfs/dbraw/zinc/04/70/48/553047048.db2.gz OTBYPQNLSHOUNX-INIZCTEOSA-N 0 0 389.249 2.762 10 0 GFAERN Cc1cc(Cc2cnc(NC(=O)[C@H]3COCCN3)s2)ccc1Br ZINC000237779182 553081824 /nfs/dbraw/zinc/08/18/24/553081824.db2.gz HBXVOVPZFPCXOQ-CQSZACIVSA-N 0 0 396.310 2.732 10 0 GFAERN O=C(c1ccc(I)cc1)N1CC[C@H](Oc2ccccn2)C1 ZINC000238812237 553086722 /nfs/dbraw/zinc/08/67/22/553086722.db2.gz AOWSBVQSWISQDJ-AWEZNQCLSA-N 0 0 394.212 2.980 10 0 GFAERN Cc1nc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@H]3C2)sc1Br ZINC000245531362 553092251 /nfs/dbraw/zinc/09/22/51/553092251.db2.gz HCPSHMUJROMZAK-GXFFZTMASA-N 0 0 395.344 2.530 10 0 GFAERN COc1cc(Br)c(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c(OC)c1 ZINC000245771446 553096892 /nfs/dbraw/zinc/09/68/92/553096892.db2.gz RVJBURGPSBHOTL-CXAGYDPISA-N 0 0 399.329 2.619 10 0 GFAERN CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccccc1Br)C(=O)OC ZINC000246074138 553101495 /nfs/dbraw/zinc/10/14/95/553101495.db2.gz FUSBIFMXCXDFGB-HWWQOWPSSA-N 0 0 385.302 2.804 10 0 GFAERN CN1CCO[C@@H](CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000246393174 553106983 /nfs/dbraw/zinc/10/69/83/553106983.db2.gz IYOQXPZTXKULRJ-HOTGVXAUSA-N 0 0 382.302 2.626 10 0 GFAERN Cc1noc(Cl)c1CC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246960965 553116276 /nfs/dbraw/zinc/11/62/76/553116276.db2.gz PPISRMJSQKJYPH-FZMZJTMJSA-N 0 0 383.901 2.819 10 0 GFAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000248905406 553137351 /nfs/dbraw/zinc/13/73/51/553137351.db2.gz YEMOEFPTOOJNCT-KBPBESRZSA-N 0 0 386.901 2.594 10 0 GFAERN O=C1[C@@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000249032567 553137901 /nfs/dbraw/zinc/13/79/01/553137901.db2.gz FLSKVZOUUKPXIR-PBHICJAKSA-N 0 0 384.307 2.505 10 0 GFAERN O=S(=O)(c1ccc(C(F)(F)F)nc1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249192006 553141092 /nfs/dbraw/zinc/14/10/92/553141092.db2.gz AJSIIEFHJDYLHN-DGCLKSJQSA-N 0 0 392.424 2.559 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(Br)cc2Cl)C1 ZINC000262684862 553173880 /nfs/dbraw/zinc/17/38/80/553173880.db2.gz CBWIALRVKMEAGK-UHFFFAOYSA-N 0 0 389.677 2.770 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(Br)ccc2Cl)C1 ZINC000262837742 553176873 /nfs/dbraw/zinc/17/68/73/553176873.db2.gz SVQRQZADNSDYQS-UHFFFAOYSA-N 0 0 389.677 2.770 10 0 GFAERN C[C@H]1CN([C@H](CNc2ncc(C(N)=O)cc2Cl)c2cccs2)CCO1 ZINC000301197327 563395863 /nfs/dbraw/zinc/39/58/63/563395863.db2.gz KTMFVAPQWTULDB-SMDDNHRTSA-N 0 0 380.901 2.769 10 0 GFAERN COc1ccc(Br)cc1CNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000301236636 563397142 /nfs/dbraw/zinc/39/71/42/563397142.db2.gz KNPXQPDAQSTRMU-AWEZNQCLSA-N 0 0 393.285 2.821 10 0 GFAERN CCc1cnc([C@@H](C)Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)s1 ZINC000301520303 563406155 /nfs/dbraw/zinc/40/61/55/563406155.db2.gz DAOAVXSXVNFXJY-SNVBAGLBSA-N 0 0 388.536 2.686 10 0 GFAERN O=S1(=O)N=C(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000302033959 563418920 /nfs/dbraw/zinc/41/89/20/563418920.db2.gz LCUKHZGOWHEJNP-LLVKDONJSA-N 0 0 379.844 2.797 10 0 GFAERN COC(=O)CSc1cncc(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000302216067 563423358 /nfs/dbraw/zinc/42/33/58/563423358.db2.gz JGNRCEIQMOJJPT-UHFFFAOYSA-N 0 0 378.885 2.722 10 0 GFAERN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(C)=O)CC1 ZINC000036209994 570571076 /nfs/dbraw/zinc/57/10/76/570571076.db2.gz QSRIKDFIBICCAM-SCLBCKFNSA-N 0 0 393.915 2.612 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)CCn1cccn1)CC2 ZINC000275768470 570699334 /nfs/dbraw/zinc/69/93/34/570699334.db2.gz SCALNSDEDNTRQH-SFHVURJKSA-N 0 0 386.521 2.765 10 0 GFAERN CC(C)N1CCN(Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)C(=O)C1=O ZINC000065129888 570707288 /nfs/dbraw/zinc/70/72/88/570707288.db2.gz DDRHGZQGUFXEKN-UHFFFAOYSA-N 0 0 393.487 2.538 10 0 GFAERN Cc1ccccc1NC(=O)CCS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000007007265 570739323 /nfs/dbraw/zinc/73/93/23/570739323.db2.gz DQWZHUVOCJVDPS-UHFFFAOYSA-N 0 0 398.484 2.633 10 0 GFAERN CN(C)C(=O)[C@@H]1C[C@@H](Sc2nccn2C)CN1Cc1cc(F)ccc1F ZINC000064084021 570753620 /nfs/dbraw/zinc/75/36/20/570753620.db2.gz SHFRQUNZGYGRAN-ZBFHGGJFSA-N 0 0 380.464 2.522 10 0 GFAERN COc1cccc(CN2CCc3c(cc(C(=O)NCc4ccccn4)n3C)C2)c1 ZINC000065307382 570788588 /nfs/dbraw/zinc/78/85/88/570788588.db2.gz QPWRPQBIFVZZJY-UHFFFAOYSA-N 0 0 390.487 2.917 10 0 GFAERN O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097015857 570886716 /nfs/dbraw/zinc/88/67/16/570886716.db2.gz MEOKFFOUSQTXHR-LLVKDONJSA-N 0 0 389.296 2.748 10 0 GFAERN CC(=O)N(Cc1cc(C)[nH]c1C)C[C@H]1CN(C(=O)Nc2ccsc2)CCO1 ZINC000252538368 570992085 /nfs/dbraw/zinc/99/20/85/570992085.db2.gz MZJRMMBFHZRIKF-GOSISDBHSA-N 0 0 390.509 2.974 10 0 GFAERN C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1Br ZINC000015686739 654512065 /nfs/dbraw/zinc/51/20/65/654512065.db2.gz FHEGNKDLPFZEDB-SNVBAGLBSA-N 0 0 383.267 2.588 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000027915168 654566652 /nfs/dbraw/zinc/56/66/52/654566652.db2.gz WXIBBQOHKYXBRT-BLLLJJGKSA-N 0 0 388.917 2.668 10 0 GFAERN O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000030038246 654582352 /nfs/dbraw/zinc/58/23/52/654582352.db2.gz HUXGEEYZQAGSGM-GXSJLCMTSA-N 0 0 381.192 2.848 10 0 GFAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000043827218 654651650 /nfs/dbraw/zinc/65/16/50/654651650.db2.gz YKCOMUAJHMHIMW-RKDXNWHRSA-N 0 0 384.807 2.838 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)Oc1cccc(I)c1 ZINC000044672612 654662064 /nfs/dbraw/zinc/66/20/64/654662064.db2.gz HNSILBVYMPAYLU-SECBINFHSA-N 0 0 385.157 2.608 10 0 GFAERN C[C@@H](C(=O)NCCc1nccs1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000050469305 654719986 /nfs/dbraw/zinc/71/99/86/654719986.db2.gz WRIOFZYOUZGGMS-QMMMGPOBSA-N 0 0 398.271 2.793 10 0 GFAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1O ZINC000052004163 654732069 /nfs/dbraw/zinc/73/20/69/654732069.db2.gz MOSIPEFHIZJPCU-WDEREUQCSA-N 0 0 398.706 2.693 10 0 GFAERN C[C@H](NC(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1)c1cccs1 ZINC000052500198 654736017 /nfs/dbraw/zinc/73/60/17/654736017.db2.gz ALGWCCHAFBUYAW-LBPRGKRZSA-N 0 0 379.507 2.949 10 0 GFAERN O=C1c2cc(Br)ccc2N(CN2CCO[C@@H]3CCCC[C@@H]32)C1=O ZINC000054545482 654761885 /nfs/dbraw/zinc/76/18/85/654761885.db2.gz UGYGHCSRTDVOKS-LSDHHAIUSA-N 0 0 379.254 2.579 10 0 GFAERN COC(=O)[C@H]1CCCN1C(=O)c1cc(I)cc(C)c1C ZINC000123955277 654766909 /nfs/dbraw/zinc/76/69/09/654766909.db2.gz VLROBAXMXFUCCZ-CYBMUJFWSA-N 0 0 387.217 2.686 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124261414 654773001 /nfs/dbraw/zinc/77/30/01/654773001.db2.gz QPFCMGYXJYWDJM-NSHDSACASA-N 0 0 396.285 2.779 10 0 GFAERN COc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000055949358 654784622 /nfs/dbraw/zinc/78/46/22/654784622.db2.gz PWRLPHWBQKCYPS-AWEZNQCLSA-N 0 0 380.491 2.857 10 0 GFAERN Cc1nc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)sc1Br ZINC000125545078 654797523 /nfs/dbraw/zinc/79/75/23/654797523.db2.gz MBGLWDLIWGLTHY-VHSXEESVSA-N 0 0 381.317 2.546 10 0 GFAERN COc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)c(C)n1 ZINC000126637762 654817270 /nfs/dbraw/zinc/81/72/70/654817270.db2.gz GEZSTRVRCKTOHX-JTQLQIEISA-N 0 0 392.253 2.977 10 0 GFAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCCc3ccccc32)s1 ZINC000060916836 654834057 /nfs/dbraw/zinc/83/40/57/654834057.db2.gz QWVKOLVMQBQSJG-HNNXBMFYSA-N 0 0 379.507 2.533 10 0 GFAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000128426226 654846707 /nfs/dbraw/zinc/84/67/07/654846707.db2.gz XOXMJDGNLDGRDD-ZDUSSCGKSA-N 0 0 384.864 2.559 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NCCc1ccc(Br)s1 ZINC000063267848 654851364 /nfs/dbraw/zinc/85/13/64/654851364.db2.gz ZHCHRZSNHNSUKJ-LLVKDONJSA-N 0 0 377.304 2.940 10 0 GFAERN COc1ccc(CNS(=O)(=O)c2c(C)nc3sc(C(C)C)nn32)cc1 ZINC000065183843 654878857 /nfs/dbraw/zinc/87/88/57/654878857.db2.gz FTAAUHNWBKDMOF-UHFFFAOYSA-N 0 0 380.495 2.710 10 0 GFAERN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000066058188 654893852 /nfs/dbraw/zinc/89/38/52/654893852.db2.gz YJVBRMCRILABMG-VVVCHXIZSA-N 0 0 384.263 2.891 10 0 GFAERN O=C(CSc1nncs1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000131319121 654901885 /nfs/dbraw/zinc/90/18/85/654901885.db2.gz RIOFQPVUPJRXIO-NWDGAFQWSA-N 0 0 389.424 2.984 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1cc(F)cc(Br)c1 ZINC000131406069 654905415 /nfs/dbraw/zinc/90/54/15/654905415.db2.gz UCIAGRXOCUIEHW-ZDUSSCGKSA-N 0 0 394.262 2.698 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC000132705686 654946594 /nfs/dbraw/zinc/94/65/94/654946594.db2.gz PBDNHHZRAMSKPU-ZLDLUXBVSA-N 0 0 388.327 2.567 10 0 GFAERN Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000133965019 654978854 /nfs/dbraw/zinc/97/88/54/654978854.db2.gz SAXWTMCDCNMBOV-CQSZACIVSA-N 0 0 375.222 2.946 10 0 GFAERN C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H](C)c1ccccc1Br ZINC000134598830 654997263 /nfs/dbraw/zinc/99/72/63/654997263.db2.gz GUVHYWHICAFNLZ-MNOVXSKESA-N 0 0 377.304 2.633 10 0 GFAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1O ZINC000091315572 655008528 /nfs/dbraw/zinc/00/85/28/655008528.db2.gz PXHVUNOQZIPYCE-KWQFWETISA-N 0 0 398.706 2.550 10 0 GFAERN C[C@H](NC(=O)COc1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000135347183 655013933 /nfs/dbraw/zinc/01/39/33/655013933.db2.gz BUASLZBVLYMZHL-NSHDSACASA-N 0 0 379.258 2.633 10 0 GFAERN CC(C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000135801392 655024495 /nfs/dbraw/zinc/02/44/95/655024495.db2.gz FFCWQXXEBDETEI-SNVBAGLBSA-N 0 0 389.315 2.664 10 0 GFAERN Cc1cc(N2CCC[C@@H](NC(=O)C[C@@H](O)C(C)C)C2=O)ccc1Br ZINC000135961542 655025918 /nfs/dbraw/zinc/02/59/18/655025918.db2.gz GVLCGJUVGQTKEP-HZPDHXFCSA-N 0 0 397.313 2.776 10 0 GFAERN C[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1c(Cl)ccc(F)c1Cl ZINC000097699261 655037709 /nfs/dbraw/zinc/03/77/09/655037709.db2.gz BDVBNCXXHCLXAF-SSDOTTSWSA-N 0 0 376.215 2.640 10 0 GFAERN Cc1nc(CN2CCCN(Cc3cc(F)ccc3Br)CC2)no1 ZINC000106146458 655104188 /nfs/dbraw/zinc/10/41/88/655104188.db2.gz JMJNVIKXFWCVCG-UHFFFAOYSA-N 0 0 383.265 2.988 10 0 GFAERN O=C(CN1CCC[C@@H](Cn2cncn2)C1)Nc1ccc(Br)cc1F ZINC000106175919 655104343 /nfs/dbraw/zinc/10/43/43/655104343.db2.gz JSTHALSAYLGMEF-GFCCVEGCSA-N 0 0 396.264 2.530 10 0 GFAERN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000106193777 655104701 /nfs/dbraw/zinc/10/47/01/655104701.db2.gz OHBXYPBITHSZBL-OCCSQVGLSA-N 0 0 383.279 2.918 10 0 GFAERN O=C(CCN1CCO[C@H](Cn2cccn2)C1)Nc1c(Cl)cccc1Cl ZINC000106191025 655104758 /nfs/dbraw/zinc/10/47/58/655104758.db2.gz LXRPZQXOPHEJLG-ZDUSSCGKSA-N 0 0 383.279 2.920 10 0 GFAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3c(Cl)cccc3Cl)CCO2)c1 ZINC000106198098 655105048 /nfs/dbraw/zinc/10/50/48/655105048.db2.gz ZKCGYDHPBPDLQR-CYBMUJFWSA-N 0 0 383.279 2.838 10 0 GFAERN CN(C)c1nn(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c(=S)s1 ZINC000108844668 655138638 /nfs/dbraw/zinc/13/86/38/655138638.db2.gz WQIVNMVJCNYZKR-GFCCVEGCSA-N 0 0 379.559 2.853 10 0 GFAERN CC(=O)N(c1nn(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c(=S)s1)C1CC1 ZINC000164949993 655138957 /nfs/dbraw/zinc/13/89/57/655138957.db2.gz LBBLNZALBGMEFZ-DYVFJYSZSA-N 0 0 382.555 2.774 10 0 GFAERN C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CCS1 ZINC000171582852 655152613 /nfs/dbraw/zinc/15/26/13/655152613.db2.gz NQKZUAUSBRSCLP-NSHDSACASA-N 0 0 390.958 2.994 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3ccc(Br)cc3C)CC2)no1 ZINC000109923002 655154106 /nfs/dbraw/zinc/15/41/06/655154106.db2.gz HCIGJXCIJHNPFC-UHFFFAOYSA-N 0 0 393.285 2.797 10 0 GFAERN COC[C@H](C)C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000110751067 655159674 /nfs/dbraw/zinc/15/96/74/655159674.db2.gz XPQIWLZZJRASCF-VIFPVBQESA-N 0 0 385.205 2.902 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3ccc(Br)cc3)CCO2)n1 ZINC000110901050 655161395 /nfs/dbraw/zinc/16/13/95/655161395.db2.gz JNVROOIZUAEZCO-KRWDZBQOSA-N 0 0 392.297 2.733 10 0 GFAERN O=S(=O)(c1sccc1Br)N1CCO[C@@H](c2nccs2)C1 ZINC000111343426 655169162 /nfs/dbraw/zinc/16/91/62/655169162.db2.gz HYJPEFBYYPAJLQ-SECBINFHSA-N 0 0 395.325 2.729 10 0 GFAERN CCOCCN1CCN(C(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000111799401 655177463 /nfs/dbraw/zinc/17/74/63/655177463.db2.gz LWFQQELZACQQNH-CQSZACIVSA-N 0 0 384.318 2.874 10 0 GFAERN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]1Cn1ccnc1 ZINC000173728228 655177816 /nfs/dbraw/zinc/17/78/16/655177816.db2.gz HOBVDVKNFVZKCU-NSHDSACASA-N 0 0 377.363 2.894 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)CCc3cccc(Br)c3)CCO2)c1 ZINC000112066376 655181615 /nfs/dbraw/zinc/18/16/15/655181615.db2.gz OBZOGVGGGGEDBM-QGZVFWFLSA-N 0 0 392.297 2.814 10 0 GFAERN CCc1csc([C@H]2CCCN(C(=O)c3ccc(CS(C)(=O)=O)o3)C2)n1 ZINC000113203896 655205159 /nfs/dbraw/zinc/20/51/59/655205159.db2.gz WRYXXBHGOZNZBL-LBPRGKRZSA-N 0 0 382.507 2.863 10 0 GFAERN CCc1csc([C@@H]2CCCN(C(=O)CNC(=O)OCC(F)(F)F)C2)n1 ZINC000113204549 655205193 /nfs/dbraw/zinc/20/51/93/655205193.db2.gz FQYWFCAESKTANS-SNVBAGLBSA-N 0 0 379.404 2.700 10 0 GFAERN C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000175613825 655223689 /nfs/dbraw/zinc/22/36/89/655223689.db2.gz NYELOGAHDQNQIB-DYVFJYSZSA-N 0 0 386.323 2.898 10 0 GFAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000114672416 655227015 /nfs/dbraw/zinc/22/70/15/655227015.db2.gz NRIJZHLCQIWTNH-YUMQZZPRSA-N 0 0 397.147 2.533 10 0 GFAERN CSc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2nccs2)c(=O)[nH]1 ZINC000115366959 655236336 /nfs/dbraw/zinc/23/63/36/655236336.db2.gz OZJPTRCJOZKQQU-CYBMUJFWSA-N 0 0 378.523 2.943 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc(F)cc3I)C2)cn1 ZINC000116113948 655243943 /nfs/dbraw/zinc/24/39/43/655243943.db2.gz FTFIKRQIFMLAOH-SNVBAGLBSA-N 0 0 399.207 2.794 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1nnnn1-c1ccccc1Br ZINC000176425803 655245097 /nfs/dbraw/zinc/24/50/97/655245097.db2.gz NLRPWQCUUJEFSN-LLVKDONJSA-N 0 0 396.289 2.587 10 0 GFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1nnnn1-c1ccccc1Br ZINC000176425792 655245123 /nfs/dbraw/zinc/24/51/23/655245123.db2.gz NLRPWQCUUJEFSN-NSHDSACASA-N 0 0 396.289 2.587 10 0 GFAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(Cl)cc1C(F)(F)F ZINC000176745551 655254698 /nfs/dbraw/zinc/25/46/98/655254698.db2.gz ZSDPBIMBRWNZDV-SNVBAGLBSA-N 0 0 380.779 2.764 10 0 GFAERN CC(C)n1ccnc1CN1C(=O)c2cc(Br)ccc2S1(=O)=O ZINC000176782489 655256714 /nfs/dbraw/zinc/25/67/14/655256714.db2.gz QYVNLKBRZWHVJG-UHFFFAOYSA-N 0 0 384.255 2.571 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(Br)cnc2Cl)C[C@H]1C ZINC000117278232 655262881 /nfs/dbraw/zinc/26/28/81/655262881.db2.gz FCHCUQYMZAGXOE-LLVKDONJSA-N 0 0 390.709 2.680 10 0 GFAERN COCCN1CCN(C(=O)CCc2ccc(OC)c(Br)c2)C[C@H]1C ZINC000117292821 655263470 /nfs/dbraw/zinc/26/34/70/655263470.db2.gz ULAVBDANSHWFAL-CQSZACIVSA-N 0 0 399.329 2.569 10 0 GFAERN CC[C@H]1CN(C(=O)c2cc(Br)cnc2Cl)CCN1CCOC ZINC000117303130 655263709 /nfs/dbraw/zinc/26/37/09/655263709.db2.gz CMWSFCNTHCMNJF-LBPRGKRZSA-N 0 0 390.709 2.680 10 0 GFAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CCN1CCOC ZINC000117526505 655265510 /nfs/dbraw/zinc/26/55/10/655265510.db2.gz VMNDILPZJZEGMO-GFCCVEGCSA-N 0 0 388.295 2.501 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1Br ZINC000118674603 655280622 /nfs/dbraw/zinc/28/06/22/655280622.db2.gz KBFJYYBNAVZJJB-LBPRGKRZSA-N 0 0 379.233 2.777 10 0 GFAERN COc1ccc(CCC(=O)N[C@H]2CCCn3ncnc32)cc1Br ZINC000177565017 655281696 /nfs/dbraw/zinc/28/16/96/655281696.db2.gz HQJGEKPGAWBHCW-ZDUSSCGKSA-N 0 0 379.258 2.633 10 0 GFAERN C[C@H]1CN(C(=O)Nc2ccc(F)cc2Br)C[C@H]1N1CCOCC1 ZINC000177760044 655287812 /nfs/dbraw/zinc/28/78/12/655287812.db2.gz UKWLHNPVHKCGHM-XHDPSFHLSA-N 0 0 386.265 2.773 10 0 GFAERN C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1F ZINC000177968036 655293265 /nfs/dbraw/zinc/29/32/65/655293265.db2.gz HFDVDCBCUNVUQC-RNCFNFMXSA-N 0 0 394.262 2.616 10 0 GFAERN COc1ncc(NC(=O)N[C@@H](C)c2cccc(Br)c2)cc1C(N)=O ZINC000119707517 655311945 /nfs/dbraw/zinc/31/19/45/655311945.db2.gz ROJISDZZYNOJNS-VIFPVBQESA-N 0 0 393.241 2.834 10 0 GFAERN CCN(CC)S(=O)(=O)CC(=O)O[C@H](C)c1ccc(Br)cc1F ZINC000181585693 655339139 /nfs/dbraw/zinc/33/91/39/655339139.db2.gz YHLXHXAKDZQMLS-SNVBAGLBSA-N 0 0 396.278 2.864 10 0 GFAERN C=CCCOC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183527467 655351902 /nfs/dbraw/zinc/35/19/02/655351902.db2.gz BDAUKQSRYXSHCG-INIZCTEOSA-N 0 0 377.487 2.983 10 0 GFAERN CCOCCN1CCN(C(=O)c2nc(Br)ccc2C)C[C@H]1CC ZINC000191678762 655399942 /nfs/dbraw/zinc/39/99/42/655399942.db2.gz SKNIFOHGOZJGFY-CQSZACIVSA-N 0 0 384.318 2.725 10 0 GFAERN Cc1ncc(S(=O)(=O)N2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)s1 ZINC000374745145 655401754 /nfs/dbraw/zinc/40/17/54/655401754.db2.gz UNTSTDBNZKCAMG-CYBMUJFWSA-N 0 0 398.579 2.583 10 0 GFAERN COCCn1c(C(=O)NCc2ccncc2)cc2oc(Br)cc21 ZINC000223714306 655422471 /nfs/dbraw/zinc/42/24/71/655422471.db2.gz QBSVLOSPPNCBGX-UHFFFAOYSA-N 0 0 378.226 2.968 10 0 GFAERN C[C@H](CCS(C)(=O)=O)OC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000248430127 655432541 /nfs/dbraw/zinc/43/25/41/655432541.db2.gz VIKGTWCQGRQFCG-SWHYSGLUSA-N 0 0 375.284 2.919 10 0 GFAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000248647425 655432950 /nfs/dbraw/zinc/43/29/50/655432950.db2.gz SWPBQZBHLYTRKW-HZPDHXFCSA-N 0 0 375.296 2.644 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(F)cc2Br)C1 ZINC000263483778 655452184 /nfs/dbraw/zinc/45/21/84/655452184.db2.gz LRBKSSJGEDGTLQ-UHFFFAOYSA-N 0 0 388.237 2.647 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](O)C1 ZINC000702796530 655521852 /nfs/dbraw/zinc/52/18/52/655521852.db2.gz SODLTYQNYDVIKE-BXUZGUMPSA-N 0 0 389.279 2.951 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000702796156 655521858 /nfs/dbraw/zinc/52/18/58/655521858.db2.gz MZQKTUMVIRUUOQ-FZMZJTMJSA-N 0 0 389.279 2.951 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000702798836 655521924 /nfs/dbraw/zinc/52/19/24/655521924.db2.gz VTPBIZRWOKUINU-IINYFYTJSA-N 0 0 389.279 2.951 10 0 GFAERN Cn1cncc1[C@@H]1C[C@@H](NS(=O)(=O)/C=C\c2ccccc2Cl)CCO1 ZINC000886085710 663103091 /nfs/dbraw/zinc/10/30/91/663103091.db2.gz LDJKOPWESWEDBH-PSXDXFIYSA-N 0 0 381.885 2.884 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889196052 663235341 /nfs/dbraw/zinc/23/53/41/663235341.db2.gz CMAKNYREEUVGTK-ZETCQYMHSA-N 0 0 377.758 2.649 10 0 GFAERN O=C(CN1CSCCSC1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000900881603 663723307 /nfs/dbraw/zinc/72/33/07/663723307.db2.gz UJYDLTNXUGBNCV-NSHDSACASA-N 0 0 394.488 2.832 10 0 GFAERN C[C@@H](C(=O)N1CCC(=O)C[C@@H]1C1CC1)N1C(=S)N=NC1c1cccs1 ZINC000912191203 664275250 /nfs/dbraw/zinc/27/52/50/664275250.db2.gz VTYQPNOKGFKXFP-GXFFZTMASA-N 0 0 376.507 2.826 10 0 GFAERN Cn1c(CO)nn(CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)c1=S ZINC000120516878 677396794 /nfs/dbraw/zinc/39/67/94/677396794.db2.gz JXUHOPDOCPQFQX-AWEZNQCLSA-N 0 0 382.917 2.906 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(F)cc1Br ZINC000138634839 677401085 /nfs/dbraw/zinc/40/10/85/677401085.db2.gz YEEKWJNUEOPUFS-CYBMUJFWSA-N 0 0 375.238 2.975 10 0 GFAERN O=S(=O)(N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1cccc(F)c1 ZINC000220147754 222599656 /nfs/dbraw/zinc/59/96/56/222599656.db2.gz ROMIYLWWTHCSRS-GSQSYGFSSA-N 0 0 377.437 2.551 10 0 GFAERN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000017327259 210209279 /nfs/dbraw/zinc/20/92/79/210209279.db2.gz LHTCQWMISQDUAU-KBPBESRZSA-N 0 0 392.452 2.876 10 0 GFAERN COc1cccc(N2CCN(c3nncc(-c4ccccc4F)n3)CC2=O)c1 ZINC000014971081 210136998 /nfs/dbraw/zinc/13/69/98/210136998.db2.gz WURUCZSEVSIFLI-UHFFFAOYSA-N 0 0 379.395 2.540 10 0 GFAERN Cc1nc(CN(C)[C@@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cs1 ZINC000014745954 210127855 /nfs/dbraw/zinc/12/78/55/210127855.db2.gz XMZLFBXHTSPCMX-MRXNPFEDSA-N 0 0 387.553 2.800 10 0 GFAERN Cc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000012209373 209921050 /nfs/dbraw/zinc/92/10/50/209921050.db2.gz QZVRSQKXOMUHPN-UHFFFAOYSA-N 0 0 398.481 2.865 10 0 GFAERN COc1ccccc1CNC(=O)c1sc2ncnc(N3CCOCC3)c2c1C ZINC000002911640 209396475 /nfs/dbraw/zinc/39/64/75/209396475.db2.gz OAKAPSCLNVTLRD-UHFFFAOYSA-N 0 0 398.488 2.775 10 0 GFAERN Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccccn3)s2)cc1 ZINC000001340288 209320672 /nfs/dbraw/zinc/32/06/72/209320672.db2.gz YCBCPWLPLKVDMF-UHFFFAOYSA-N 0 0 388.474 2.510 10 0 GFAERN CCNc1cccnc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1 ZINC000000597817 209250494 /nfs/dbraw/zinc/25/04/94/209250494.db2.gz UCPOMLWZWRTIAA-UHFFFAOYSA-N 0 0 379.464 2.966 10 0 investigational GFAERN O=C(Nc1ccc(CN2CCOCC2)cc1)N1CC[C@](O)(c2ccccc2)C1 ZINC000299776071 212034981 /nfs/dbraw/zinc/03/49/81/212034981.db2.gz MWYUEPCPKUSFFS-JOCHJYFZSA-N 0 0 381.476 2.644 10 0 GFAERN CC(=O)c1cc(I)cc(CNC(=O)OC(C)(C)C)n1 ZINC000095766788 211283056 /nfs/dbraw/zinc/28/30/56/211283056.db2.gz VYEORGPJTWDLBH-UHFFFAOYSA-N 0 0 376.194 2.914 10 0 GFAERN COCCNC(=O)c1ccc(OC)cc1OC1CCN(c2nccs2)CC1 ZINC000095528150 211271397 /nfs/dbraw/zinc/27/13/97/211271397.db2.gz WELDABDUTSYBDF-UHFFFAOYSA-N 0 0 391.493 2.576 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@H](CS(=O)(=O)c2ccnc(Cl)n2)C1 ZINC000095085504 211219009 /nfs/dbraw/zinc/21/90/09/211219009.db2.gz MSNXCKMZNVCTDU-NSHDSACASA-N 0 0 375.878 2.551 10 0 GFAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COC1=NS(=O)(=O)c2ccccc21 ZINC000095086655 211218323 /nfs/dbraw/zinc/21/83/23/211218323.db2.gz BYFOSKJUVGDFKK-ZDUSSCGKSA-N 0 0 380.466 2.942 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@H](CS(=O)(=O)c2cc(Cl)ncn2)C1 ZINC000095085494 211218108 /nfs/dbraw/zinc/21/81/08/211218108.db2.gz SRVPSXDCVZGQNC-NSHDSACASA-N 0 0 375.878 2.551 10 0 GFAERN CN(Cc1sc2ccccc2c1Cl)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091616402 211199233 /nfs/dbraw/zinc/19/92/33/211199233.db2.gz BQHSAEXDNJMSKS-UHFFFAOYSA-N 0 0 379.913 2.710 10 0 GFAERN CC(C)(C)OC(=O)N1CCC(n2c3ccc(Cl)cc3[nH]c(=O)c2=O)CC1 ZINC000091353263 211190946 /nfs/dbraw/zinc/19/09/46/211190946.db2.gz XVSOSUKJCJXWKO-UHFFFAOYSA-N 0 0 379.844 2.915 10 0 GFAERN CN1CCC[C@]2(CCN(c3cc(-c4ccccc4F)nc4ccnn43)C2)C1=O ZINC000072463282 211122498 /nfs/dbraw/zinc/12/24/98/211122498.db2.gz AJNJDYWWGCRCHY-OAQYLSRUSA-N 0 0 379.439 2.984 10 0 GFAERN O=Cc1cc(Br)c(OCCN2CCOCC2)c(Br)c1 ZINC000020394088 210332145 /nfs/dbraw/zinc/33/21/45/210332145.db2.gz MICOHDPZCCYKDG-UHFFFAOYSA-N 0 0 393.075 2.735 10 0 GFAERN COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000020370610 210331478 /nfs/dbraw/zinc/33/14/78/210331478.db2.gz HTSVXOWHQHGPRX-HNNXBMFYSA-N 0 0 381.432 2.954 10 0 GFAERN COc1ccccc1CNC(=O)C1CCN(c2cncnc2N2CCCC2)CC1 ZINC000065226295 136160329 /nfs/dbraw/zinc/16/03/29/136160329.db2.gz FRUZDOKGLMFTSN-UHFFFAOYSA-N 0 0 395.507 2.618 10 0 GFAERN O=C(NCCC1=CCCCC1)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226659 136160432 /nfs/dbraw/zinc/16/04/32/136160432.db2.gz DNOSRDYTXMTFNN-UHFFFAOYSA-N 0 0 399.539 2.536 10 0 GFAERN CCCCn1nc([C@@H]2CCOC2)nc1-c1ccccc1N1CCC(=O)NC1=O ZINC000096137558 136184146 /nfs/dbraw/zinc/18/41/46/136184146.db2.gz BILDXEOWFIRYFL-CQSZACIVSA-N 0 0 383.452 2.695 10 0 GFAERN CCn1c(=O)c2sccc2nc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000057346636 523108289 /nfs/dbraw/zinc/10/82/89/523108289.db2.gz ZGBYVOOLERJPME-GFCCVEGCSA-N 0 0 378.498 2.971 10 0 GFAERN O=C([O-])C[NH+]1CCN(c2cc(-c3cccnc3)nc(-c3ccccc3F)n2)CC1 ZINC000073685509 527610697 /nfs/dbraw/zinc/61/06/97/527610697.db2.gz WYVNHYNIVKIQGR-UHFFFAOYSA-N 0 0 393.422 2.551 10 0 GFAERN CO[C@H]1C[C@@H](CO)N(Cc2cc(Cl)ccc2I)C1 ZINC000405310147 563539011 /nfs/dbraw/zinc/53/90/11/563539011.db2.gz SOIJQGKJEHCITL-RYUDHWBXSA-N 0 0 381.641 2.526 10 0 GFAERN COC(=O)[C@@H]1CCCCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000027561923 551123177 /nfs/dbraw/zinc/12/31/77/551123177.db2.gz NGABHDUQJGPPJK-LBPRGKRZSA-N 0 0 376.787 2.907 10 0 GFAERN C[C@H](NC(=O)NCCNC(=O)c1ccco1)c1ccccc1Br ZINC000045663256 551147543 /nfs/dbraw/zinc/14/75/43/551147543.db2.gz DKUXSQSGOSJQIE-NSHDSACASA-N 0 0 380.242 2.832 10 0 GFAERN C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000046127040 551148722 /nfs/dbraw/zinc/14/87/22/551148722.db2.gz NRTYISNBEKRLLJ-VXGBXAGGSA-N 0 0 397.294 2.884 10 0 GFAERN CCOCCCNC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000054820039 551170916 /nfs/dbraw/zinc/17/09/16/551170916.db2.gz VDBJCLWRUVXJHJ-AWEZNQCLSA-N 0 0 387.274 2.779 10 0 GFAERN C[C@@H](C(=O)NCc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC000107039180 551201434 /nfs/dbraw/zinc/20/14/34/551201434.db2.gz TYGKTUPJWOTUDI-NSHDSACASA-N 0 0 387.233 2.750 10 0 GFAERN CS(=O)(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000116327753 551211986 /nfs/dbraw/zinc/21/19/86/551211986.db2.gz CEXKZPFHPHISAI-GOSISDBHSA-N 0 0 379.503 2.587 10 0 GFAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)C2)cn1 ZINC000116369601 551213505 /nfs/dbraw/zinc/21/35/05/551213505.db2.gz DSCMJOLAQDQMCV-SNVBAGLBSA-N 0 0 377.363 2.756 10 0 GFAERN CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(F)c2)s1 ZINC000119492160 551216787 /nfs/dbraw/zinc/21/67/87/551216787.db2.gz IMCAQDKLYKXSMD-LBPRGKRZSA-N 0 0 384.498 2.914 10 0 GFAERN O=C(COc1ccccc1Br)N1CCO[C@H](c2nccs2)C1 ZINC000121786800 551242788 /nfs/dbraw/zinc/24/27/88/551242788.db2.gz CVNDCEREDQZXKR-ZDUSSCGKSA-N 0 0 383.267 2.885 10 0 GFAERN O=C(c1ccccc1I)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123102459 551303085 /nfs/dbraw/zinc/30/30/85/551303085.db2.gz WSYIPNUHBBDTPI-CYBMUJFWSA-N 0 0 394.212 2.980 10 0 GFAERN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000123128221 551303675 /nfs/dbraw/zinc/30/36/75/551303675.db2.gz NLHIAFFWBZXNQM-ZFWWWQNUSA-N 0 0 399.304 2.700 10 0 GFAERN O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123302142 551304947 /nfs/dbraw/zinc/30/49/47/551304947.db2.gz ZBADGCIFFSQYHK-SJKOYZFVSA-N 0 0 381.270 2.541 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3cc(Br)c(C)[nH]c3=O)C2)no1 ZINC000126285377 551327652 /nfs/dbraw/zinc/32/76/52/551327652.db2.gz NFWANGNBIZOONA-NSHDSACASA-N 0 0 395.257 2.644 10 0 GFAERN Brc1ccc2ncc(CN3CCC[C@H](Cn4cncn4)C3)n2c1 ZINC000128557658 551350634 /nfs/dbraw/zinc/35/06/34/551350634.db2.gz AXMKUKXEHLTUCX-ZDUSSCGKSA-N 0 0 375.274 2.601 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(Br)s1)CC2 ZINC000133829580 551384017 /nfs/dbraw/zinc/38/40/17/551384017.db2.gz WRKCZYBAKIGTFF-JTQLQIEISA-N 0 0 383.315 2.899 10 0 GFAERN O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCCC[C@@H]1c1nccs1 ZINC000134068931 551384964 /nfs/dbraw/zinc/38/49/64/551384964.db2.gz SIQCQVCCQWFXJG-OAHLLOKOSA-N 0 0 382.511 2.607 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)NCCOc3ncc(Cl)cc3Cl)C2)cn1 ZINC000134866782 551386150 /nfs/dbraw/zinc/38/61/50/551386150.db2.gz RYRYCUPELZILFU-LLVKDONJSA-N 0 0 384.267 2.700 10 0 GFAERN CC(C)c1csc([C@H]2CCCN(C(=O)N[C@H](C)CCS(C)(=O)=O)C2)n1 ZINC000135310315 551387430 /nfs/dbraw/zinc/38/74/30/551387430.db2.gz MCFZTLBNLUPYCH-KGLIPLIRSA-N 0 0 387.571 2.979 10 0 GFAERN O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@@H]1CCCC[C@@H]1CO ZINC000151112668 551407385 /nfs/dbraw/zinc/40/73/85/551407385.db2.gz FOWFANPYDWMFEQ-DGCLKSJQSA-N 0 0 379.507 2.667 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)cnc1Cl ZINC000151107111 551407588 /nfs/dbraw/zinc/40/75/88/551407588.db2.gz QQFCUIFWRCWWQJ-SNVBAGLBSA-N 0 0 384.665 2.916 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(OC)ccc1Br ZINC000151116046 551407725 /nfs/dbraw/zinc/40/77/25/551407725.db2.gz KGCJWZDRTKBHRW-ZDUSSCGKSA-N 0 0 379.258 2.877 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000151431318 551413421 /nfs/dbraw/zinc/41/34/21/551413421.db2.gz SJHXPFNIMNJSMN-GFCCVEGCSA-N 0 0 380.246 2.735 10 0 GFAERN CC(C)CC(=O)N[C@@H](C(=O)N(C)Cc1cc(Br)cn1C)C(C)C ZINC000153712737 551459112 /nfs/dbraw/zinc/45/91/12/551459112.db2.gz NMLRRAVMAZAZOZ-MRXNPFEDSA-N 0 0 386.334 2.933 10 0 GFAERN C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1Br ZINC000153984152 551464668 /nfs/dbraw/zinc/46/46/68/551464668.db2.gz DKOACRLAUVSKHI-GXFFZTMASA-N 0 0 391.331 2.590 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000153978470 551464674 /nfs/dbraw/zinc/46/46/74/551464674.db2.gz KKGATYALNSTYDN-WKEGUHRASA-N 0 0 381.148 2.811 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1I ZINC000153997908 551465018 /nfs/dbraw/zinc/46/50/18/551465018.db2.gz IXAKOZDEEPFBIL-NEPJUHHUSA-N 0 0 379.625 2.978 10 0 GFAERN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000154018315 551465452 /nfs/dbraw/zinc/46/54/52/551465452.db2.gz XABBSVYWEMIOES-WMLDXEAASA-N 0 0 392.297 2.752 10 0 GFAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@@H](C)c1ccccc1Br ZINC000155016118 551488582 /nfs/dbraw/zinc/48/85/82/551488582.db2.gz PFDCEDZPHDGQAR-SWLSCSKDSA-N 0 0 385.302 2.804 10 0 GFAERN CCN(C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H](C)CS(C)(=O)=O ZINC000155609818 551504184 /nfs/dbraw/zinc/50/41/84/551504184.db2.gz UIWHKBCFDYVACD-JSGCOSHPSA-N 0 0 380.432 2.625 10 0 GFAERN CCc1nnc([C@H]2CN(Cc3cc(Br)c(OC)s3)CCO2)[nH]1 ZINC000156705575 551527205 /nfs/dbraw/zinc/52/72/05/551527205.db2.gz OROQZZXBWRUAQT-LLVKDONJSA-N 0 0 387.303 2.773 10 0 GFAERN Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)n(C)n1 ZINC000157634573 551540245 /nfs/dbraw/zinc/54/02/45/551540245.db2.gz CLRVRAFKSPPEOE-GXFFZTMASA-N 0 0 381.263 2.894 10 0 GFAERN NC(=O)[C@H](c1cccc(Br)c1)N1CCO[C@H](c2nccs2)C1 ZINC000157735779 551542395 /nfs/dbraw/zinc/54/23/95/551542395.db2.gz SUQJVFNSMZIFCB-STQMWFEESA-N 0 0 382.283 2.506 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(Br)c(Cl)c3)CCO2)[nH]1 ZINC000157827564 551543326 /nfs/dbraw/zinc/54/33/26/551543326.db2.gz HEQJAFCZMNMFCI-LBPRGKRZSA-N 0 0 385.649 2.743 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000158318776 551550057 /nfs/dbraw/zinc/55/00/57/551550057.db2.gz CRWBQDHEEJDQRX-BMIGLBTASA-N 0 0 394.244 2.851 10 0 GFAERN CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1cnc(Cl)c(Cl)c1)C2 ZINC000158915093 551558487 /nfs/dbraw/zinc/55/84/87/551558487.db2.gz FNIXGAJXOKGRIZ-UHFFFAOYSA-N 0 0 389.308 2.992 10 0 GFAERN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)co1 ZINC000159266341 551563038 /nfs/dbraw/zinc/56/30/38/551563038.db2.gz AQCCXIHVMBVNIO-MRVPVSSYSA-N 0 0 377.249 2.986 10 0 GFAERN Cn1nccc1C1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000159313230 551563550 /nfs/dbraw/zinc/56/35/50/551563550.db2.gz SOFJAMMSAYCMRE-UHFFFAOYSA-N 0 0 384.299 2.751 10 0 GFAERN C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CCCn2ncnc21 ZINC000164641599 551626550 /nfs/dbraw/zinc/62/65/50/551626550.db2.gz IEPLBTOCSJCVON-SMDDNHRTSA-N 0 0 378.274 2.882 10 0 GFAERN COC[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000167843876 551633301 /nfs/dbraw/zinc/63/33/01/551633301.db2.gz SOCBMNPDTQQZDI-SWLSCSKDSA-N 0 0 383.286 2.652 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000171071702 551645817 /nfs/dbraw/zinc/64/58/17/551645817.db2.gz UIWIBRBPGMPOFL-PELKAZGASA-N 0 0 384.807 2.552 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171399202 551654606 /nfs/dbraw/zinc/65/46/06/551654606.db2.gz PRVNMMCLNACUTH-OAHLLOKOSA-N 0 0 391.269 2.793 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCS[C@H](C)C2)c(OCC(F)(F)F)c1 ZINC000171468850 551656116 /nfs/dbraw/zinc/65/61/16/551656116.db2.gz NPCZTJBNVLEPHR-LLVKDONJSA-N 0 0 376.400 2.839 10 0 GFAERN Cc1cnn(C[C@H]2CN(Cc3cc4c(c(Br)c3)OCO4)CCO2)c1 ZINC000171513459 551657630 /nfs/dbraw/zinc/65/76/30/551657630.db2.gz NORQZWCDDZXEFO-CQSZACIVSA-N 0 0 394.269 2.584 10 0 GFAERN CCn1cc(Br)cc1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000171812199 551663807 /nfs/dbraw/zinc/66/38/07/551663807.db2.gz RSIDUVSPLCSKTF-UHFFFAOYSA-N 0 0 378.274 2.777 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@H]1C ZINC000172217539 551673700 /nfs/dbraw/zinc/67/37/00/551673700.db2.gz DBSDXHFOVAHBLM-GFCCVEGCSA-N 0 0 382.555 2.607 10 0 GFAERN C[C@H](C(=O)N1CCSC[C@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000172522289 551680874 /nfs/dbraw/zinc/68/08/74/551680874.db2.gz MLXWEZDMRHDSPR-RKDXNWHRSA-N 0 0 387.288 2.942 10 0 GFAERN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000173049389 551693584 /nfs/dbraw/zinc/69/35/84/551693584.db2.gz DGSGENSJKGVHJQ-CHWSQXEVSA-N 0 0 378.270 2.966 10 0 GFAERN Cc1csc([C@H]2CCCN(C(=O)Cn3cc(Br)ccc3=O)C2)n1 ZINC000173068200 551694041 /nfs/dbraw/zinc/69/40/41/551694041.db2.gz FBTBDOKNVLAEDB-LBPRGKRZSA-N 0 0 396.310 2.782 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)CCCc3ccc(Br)s3)CCO2)[nH]1 ZINC000173085675 551694973 /nfs/dbraw/zinc/69/49/73/551694973.db2.gz PYXOINDKDBTRBX-GFCCVEGCSA-N 0 0 399.314 2.860 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000173091269 551695349 /nfs/dbraw/zinc/69/53/49/551695349.db2.gz YBIDRIQSKJGXSX-AWEZNQCLSA-N 0 0 385.251 2.789 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)C3(c4ccc(Br)cc4)CC3)CCO2)[nH]1 ZINC000173088563 551695432 /nfs/dbraw/zinc/69/54/32/551695432.db2.gz UKVHSVHPKXIPDL-CQSZACIVSA-N 0 0 391.269 2.507 10 0 GFAERN CCc1cnc(CCNC(=O)N2CCN(Cc3cnc(C)s3)CC2)s1 ZINC000173391955 552085145 /nfs/dbraw/zinc/08/51/45/552085145.db2.gz GKFISEDDUPFRBZ-UHFFFAOYSA-N 0 0 379.555 2.540 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1cncc(Br)c1 ZINC000173627287 552089418 /nfs/dbraw/zinc/08/94/18/552089418.db2.gz YDZRACAMTZPZFE-ZDUSSCGKSA-N 0 0 384.274 2.973 10 0 GFAERN CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)c1ccccc1F ZINC000175212772 552117543 /nfs/dbraw/zinc/11/75/43/552117543.db2.gz IEKOKVKOLDNDCD-OAHLLOKOSA-N 0 0 384.498 2.581 10 0 GFAERN Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)cc1 ZINC000175222384 552118437 /nfs/dbraw/zinc/11/84/37/552118437.db2.gz XSEWCUBPUFXHDD-WBVHZDCISA-N 0 0 380.535 2.797 10 0 GFAERN C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(Cl)c(Cl)c1 ZINC000175950029 552132570 /nfs/dbraw/zinc/13/25/70/552132570.db2.gz FDHPOMMZFURECY-SECBINFHSA-N 0 0 385.255 2.556 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)CCc3ccc(Br)cc3)CCO2)c1 ZINC000176367863 552139596 /nfs/dbraw/zinc/13/95/96/552139596.db2.gz TWSQFCVSKUXWAD-QGZVFWFLSA-N 0 0 392.297 2.814 10 0 GFAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cc(N)nc(Cl)c1 ZINC000176538319 552140889 /nfs/dbraw/zinc/14/08/89/552140889.db2.gz GYVBEOSYDRCVEJ-CYBMUJFWSA-N 0 0 380.901 2.524 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000177004652 552149237 /nfs/dbraw/zinc/14/92/37/552149237.db2.gz XXZKLBXOCVIEEQ-QSYFUGGGSA-N 0 0 397.298 2.774 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000177004018 552149275 /nfs/dbraw/zinc/14/92/75/552149275.db2.gz XFVSYXJQVZEDLB-NSHDSACASA-N 0 0 378.351 2.558 10 0 GFAERN Cc1ccc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000177696959 552156919 /nfs/dbraw/zinc/15/69/19/552156919.db2.gz BPRUCSTUASXWKM-CZUORRHYSA-N 0 0 382.302 2.942 10 0 GFAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(F)c(I)c1 ZINC000179223647 552187472 /nfs/dbraw/zinc/18/74/72/552187472.db2.gz HIHBHPDTIODEAV-GXFFZTMASA-N 0 0 377.197 2.711 10 0 GFAERN COCCCN(C(=O)N[C@@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179517449 552195615 /nfs/dbraw/zinc/19/56/15/552195615.db2.gz ATNKCRHUWMNGEL-BBRMVZONSA-N 0 0 388.917 2.636 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)CN[C@H](C)c2c(Cl)ccc(F)c2Cl)C1 ZINC000179540364 552196074 /nfs/dbraw/zinc/19/60/74/552196074.db2.gz GEQMOAOACNWTMF-PWSUYJOCSA-N 0 0 390.286 2.910 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000179713468 552200817 /nfs/dbraw/zinc/20/08/17/552200817.db2.gz KWPRFKBCQBTISQ-OAHLLOKOSA-N 0 0 388.295 2.820 10 0 GFAERN CCc1nnc(CS(=O)(=O)Cc2ncc(-c3cccc(Cl)c3)o2)n1C ZINC000180086509 552212483 /nfs/dbraw/zinc/21/24/83/552212483.db2.gz UIDHNJZIOBHWQC-UHFFFAOYSA-N 0 0 380.857 2.801 10 0 GFAERN Cc1cccc(S(=O)(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1Cl ZINC000180311639 552222027 /nfs/dbraw/zinc/22/20/27/552222027.db2.gz XYGPPDQTVGDTEC-AWEZNQCLSA-N 0 0 380.901 2.728 10 0 GFAERN C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCCO1 ZINC000180463800 552226814 /nfs/dbraw/zinc/22/68/14/552226814.db2.gz OYUOCWLOUVSXOR-VQISRLSMSA-N 0 0 386.279 2.965 10 0 GFAERN Cc1csc([C@@H]2CN(CCCS(=O)(=O)c3ccc(C)cc3)CCO2)n1 ZINC000180597720 552230789 /nfs/dbraw/zinc/23/07/89/552230789.db2.gz BYOTVXJBVYSSBT-KRWDZBQOSA-N 0 0 380.535 2.997 10 0 GFAERN C[C@@H](N[C@@H](C)c1nc(-c2cccs2)no1)c1ccc(S(N)(=O)=O)cc1 ZINC000181565743 552261104 /nfs/dbraw/zinc/26/11/04/552261104.db2.gz MGJPODKIOYHMPQ-MNOVXSKESA-N 0 0 378.479 2.857 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCc1ccc(Br)cc1)CC2 ZINC000181567699 552261257 /nfs/dbraw/zinc/26/12/57/552261257.db2.gz UMMHYQREBQOBAC-CQSZACIVSA-N 0 0 392.301 2.978 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)CC2 ZINC000181733464 552266531 /nfs/dbraw/zinc/26/65/31/552266531.db2.gz JMIZKXYNPHYXQM-LBPRGKRZSA-N 0 0 386.880 2.628 10 0 GFAERN Cc1cc(Br)ccc1CS(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000182092183 552275033 /nfs/dbraw/zinc/27/50/33/552275033.db2.gz RBGVSCLAUBFTNT-UHFFFAOYSA-N 0 0 384.299 2.878 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)Nc2cccnc2Br)C1 ZINC000183244040 552303846 /nfs/dbraw/zinc/30/38/46/552303846.db2.gz FRMKAXRCOYFTKH-NSHDSACASA-N 0 0 379.262 2.867 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)Nc2cncc(Br)c2)C12CCOCC2 ZINC000184573025 552338838 /nfs/dbraw/zinc/33/88/38/552338838.db2.gz VUZQHNSRZAIXDN-KGLIPLIRSA-N 0 0 384.274 2.940 10 0 GFAERN COc1cccc(Cl)c1CC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000184666962 552341841 /nfs/dbraw/zinc/34/18/41/552341841.db2.gz NQTBGEWVRPZSDP-HNNXBMFYSA-N 0 0 379.865 2.926 10 0 GFAERN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000184907583 552347621 /nfs/dbraw/zinc/34/76/21/552347621.db2.gz SXLXPSIVJFUFFS-RNCFNFMXSA-N 0 0 378.778 2.965 10 0 GFAERN O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCCC[C@@H]1c1nccs1 ZINC000185020474 552351148 /nfs/dbraw/zinc/35/11/48/552351148.db2.gz CTSXUQDMEXDMNA-LLVKDONJSA-N 0 0 380.417 2.818 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)C12CCOCC2 ZINC000185146853 552355104 /nfs/dbraw/zinc/35/51/04/552355104.db2.gz PDPWGNFMEULYHV-CVEARBPZSA-N 0 0 391.892 2.873 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3csc(Br)c3C)CCO2)[nH]1 ZINC000185553247 552365565 /nfs/dbraw/zinc/36/55/65/552365565.db2.gz VUDZFAIAAGZSRO-SNVBAGLBSA-N 0 0 385.287 2.713 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000186650673 552393645 /nfs/dbraw/zinc/39/36/45/552393645.db2.gz ZBTWYHXGMCHINV-MRXNPFEDSA-N 0 0 384.929 2.971 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000186654913 552393842 /nfs/dbraw/zinc/39/38/42/552393842.db2.gz NHXXFVWKBLUHBW-AWEZNQCLSA-N 0 0 389.279 2.770 10 0 GFAERN CN1CCO[C@H](CNC(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000187497859 552416953 /nfs/dbraw/zinc/41/69/53/552416953.db2.gz FDVPWNBKCIPFPG-OAHLLOKOSA-N 0 0 396.329 2.669 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cc(C)cc(Br)c3)CCO2)[nH]1 ZINC000187500763 552416993 /nfs/dbraw/zinc/41/69/93/552416993.db2.gz ACDSKCYWTUHIAF-ZDUSSCGKSA-N 0 0 380.246 2.789 10 0 GFAERN Cc1ccc(Br)nc1C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000187936831 552428339 /nfs/dbraw/zinc/42/83/39/552428339.db2.gz IMCBDFPXZYOVIG-ZDUSSCGKSA-N 0 0 390.285 2.684 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3cccc(Br)n3)C2)n1 ZINC000188611560 552450319 /nfs/dbraw/zinc/45/03/19/552450319.db2.gz RVUSQYLSOIMHFD-ZDUSSCGKSA-N 0 0 393.289 2.997 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000189190141 552465641 /nfs/dbraw/zinc/46/56/41/552465641.db2.gz QBRKFTZCKNAAMC-GXFFZTMASA-N 0 0 389.836 2.630 10 0 GFAERN CCn1cc([C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)cn1 ZINC000189219375 552466011 /nfs/dbraw/zinc/46/60/11/552466011.db2.gz ZMDSJWHFAYGELH-CQSZACIVSA-N 0 0 390.292 2.972 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)N2CCSCC[C@@H]2C)N2CCOCC2)s1 ZINC000189444231 552472096 /nfs/dbraw/zinc/47/20/96/552472096.db2.gz HUYZMCXBUKRCBM-GOEBONIOSA-N 0 0 383.583 2.967 10 0 GFAERN CCOc1ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1Br ZINC000189491432 552473156 /nfs/dbraw/zinc/47/31/56/552473156.db2.gz CLUUMYZUIGTDIF-AWEZNQCLSA-N 0 0 398.301 2.786 10 0 GFAERN COC(=O)[C@H](C)N(C[C@H](O)COc1cccc(Br)c1)C1CCC1 ZINC000190089498 552487259 /nfs/dbraw/zinc/48/72/59/552487259.db2.gz WPACBQBJUXYPQF-WFASDCNBSA-N 0 0 386.286 2.605 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)Nc3ccc(Br)nc3C)CCO2)cn1 ZINC000190120308 552487718 /nfs/dbraw/zinc/48/77/18/552487718.db2.gz GSFNBZNQERNNIA-AWEZNQCLSA-N 0 0 394.273 2.974 10 0 GFAERN CC[C@@H](CNC(=O)N1CC(NC(C)=O)C1)Cc1cccc(Br)c1 ZINC000190153316 552488737 /nfs/dbraw/zinc/48/87/37/552488737.db2.gz YJPXOMIUCXGTEZ-CYBMUJFWSA-N 0 0 382.302 2.548 10 0 GFAERN CCOc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1Br ZINC000190425597 552495975 /nfs/dbraw/zinc/49/59/75/552495975.db2.gz DBDKKCXZESWQEO-LLVKDONJSA-N 0 0 380.246 2.576 10 0 GFAERN CC(=O)NC1CN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)C1 ZINC000190519100 552499466 /nfs/dbraw/zinc/49/94/66/552499466.db2.gz MMOSAQGTAWRSMU-UHFFFAOYSA-N 0 0 393.237 2.582 10 0 GFAERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000190968073 552515079 /nfs/dbraw/zinc/51/50/79/552515079.db2.gz JHJDTOSWQNPKJL-CZUORRHYSA-N 0 0 395.297 2.549 10 0 GFAERN CCn1cc([C@@H]2CN(Cc3cc4c(cc3Br)OCO4)CCO2)cn1 ZINC000191715424 552535731 /nfs/dbraw/zinc/53/57/31/552535731.db2.gz AREVEAMOZMWEHC-KRWDZBQOSA-N 0 0 394.269 2.968 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3cccc(Br)c3F)CC2)cn1 ZINC000192068581 552548821 /nfs/dbraw/zinc/54/88/21/552548821.db2.gz UCKMXWDMEAZTPC-UHFFFAOYSA-N 0 0 395.276 2.670 10 0 GFAERN CC(C)c1nc(C2(NC(=O)c3cc(Br)nn3C)CCCC2)no1 ZINC000192369638 552560774 /nfs/dbraw/zinc/56/07/74/552560774.db2.gz HKRVJVQYTRZWPG-UHFFFAOYSA-N 0 0 382.262 2.888 10 0 GFAERN COc1cc(Cl)c(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)cc1OC ZINC000192819863 552974475 /nfs/dbraw/zinc/97/44/75/552974475.db2.gz YXQRSWGVVABGGH-UHFFFAOYSA-N 0 0 385.873 2.649 10 0 GFAERN Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1F ZINC000193017911 552980415 /nfs/dbraw/zinc/98/04/15/552980415.db2.gz XRHWHHHMKSZABF-GWCFXTLKSA-N 0 0 387.249 2.502 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3c(Cl)nc4ccccn43)CCO2)n1 ZINC000193950047 553007763 /nfs/dbraw/zinc/00/77/63/553007763.db2.gz NXEOKLSVCGJXKW-NSHDSACASA-N 0 0 398.897 2.515 10 0 GFAERN CCn1c(C)nnc1C[S@](=O)Cc1cc2c(cc1Br)OCO2 ZINC000194127653 553012369 /nfs/dbraw/zinc/01/23/69/553012369.db2.gz DHERFHUMEQTKQC-JOCHJYFZSA-N 0 0 386.271 2.547 10 0 GFAERN CCn1c(C)nnc1C[S@@](=O)Cc1ccc(I)cc1 ZINC000194306121 553017032 /nfs/dbraw/zinc/01/70/32/553017032.db2.gz DQCYIAANFSBNGP-IBGZPJMESA-N 0 0 389.262 2.660 10 0 GFAERN CCc1nnc(CSc2nnc(SCc3nnc(CC)n3C)s2)n1C ZINC000194655801 553026424 /nfs/dbraw/zinc/02/64/24/553026424.db2.gz QHVPTUXZEMIATR-UHFFFAOYSA-N 0 0 396.571 2.505 10 0 GFAERN C[C@@H](C(=O)NC1CCSCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000194816083 553031105 /nfs/dbraw/zinc/03/11/05/553031105.db2.gz NCPOXPYULYWJAF-QMMMGPOBSA-N 0 0 387.288 2.990 10 0 GFAERN CCn1ccnc1CS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)n1CC ZINC000195094968 553037899 /nfs/dbraw/zinc/03/78/99/553037899.db2.gz YOBRPKLHFBDROI-UHFFFAOYSA-N 0 0 379.873 2.809 10 0 GFAERN C[C@@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)c1ccc(Cl)c(Cl)c1 ZINC000195123544 553038857 /nfs/dbraw/zinc/03/88/57/553038857.db2.gz ROEZCRMIMLPBPV-MRVPVSSYSA-N 0 0 381.223 2.972 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)COc1ccc(Br)cc1)CC2 ZINC000195265375 553043259 /nfs/dbraw/zinc/04/32/59/553043259.db2.gz UMAOFKYLAOADBF-CYBMUJFWSA-N 0 0 393.285 2.674 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000245691846 553095549 /nfs/dbraw/zinc/09/55/49/553095549.db2.gz APXJDRRDSMZXDN-RVKKMQEKSA-N 0 0 395.341 2.807 10 0 GFAERN CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCO[C@@H](c3ccsc3)C1)C(=O)C2 ZINC000246111879 553102904 /nfs/dbraw/zinc/10/29/04/553102904.db2.gz PYVBMIHLHZUYNB-HDMKZQKVSA-N 0 0 383.535 2.847 10 0 GFAERN COCCN1CCN(C(=O)[C@H](C)c2ccc(Br)s2)C[C@H]1C ZINC000246693316 553111469 /nfs/dbraw/zinc/11/14/69/553111469.db2.gz BQJHAHUHIXKUAH-VXGBXAGGSA-N 0 0 375.332 2.793 10 0 GFAERN Cc1cccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)c1 ZINC000248324619 553128450 /nfs/dbraw/zinc/12/84/50/553128450.db2.gz ATKBTBCSSSAFRM-RDJZCZTQSA-N 0 0 380.535 2.797 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@@H]1C ZINC000249109023 553139507 /nfs/dbraw/zinc/13/95/07/553139507.db2.gz RBZLKRWNMUUXKO-UWVGGRQHSA-N 0 0 392.244 2.646 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Br)s2)CC1 ZINC000262892831 553177910 /nfs/dbraw/zinc/17/79/10/553177910.db2.gz HAKFHCWSERPGTK-JTQLQIEISA-N 0 0 375.288 2.522 10 0 GFAERN O=S(=O)(c1c(Cl)cccc1Br)N1CCn2ccnc2C1 ZINC000312408567 563436546 /nfs/dbraw/zinc/43/65/46/563436546.db2.gz WPWLYPIJNZLANS-UHFFFAOYSA-N 0 0 376.663 2.504 10 0 GFAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375221377 563396258 /nfs/dbraw/zinc/39/62/58/563396258.db2.gz SRPYMRKLQRJIRX-BYCMXARLSA-N 0 0 378.416 2.542 10 0 GFAERN CCOC(=O)[C@@]1(C)CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)C1 ZINC000301762272 563411583 /nfs/dbraw/zinc/41/15/83/563411583.db2.gz MLEDZMSFULMMRZ-AWEZNQCLSA-N 0 0 383.363 2.899 10 0 GFAERN CN(C)c1ccc(N[C@H]2CCCN(C(=O)[C@H]3CSCCS3)CC2)cn1 ZINC000328633733 563461751 /nfs/dbraw/zinc/46/17/51/563461751.db2.gz MGBQDXDFERSSGN-GOEBONIOSA-N 0 0 380.583 2.789 10 0 GFAERN O=C(c1cccc(F)c1I)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000571263956 564542996 /nfs/dbraw/zinc/54/29/96/564542996.db2.gz FLEDFYURBQYZTE-HBNTYKKESA-N 0 0 389.208 2.663 10 0 GFAERN CO[C@]1(C(=O)Nc2cc(Br)cc(Br)c2)CCOC1 ZINC000529693569 564846825 /nfs/dbraw/zinc/84/68/25/564846825.db2.gz JMBMLERAZHSFOR-GFCCVEGCSA-N 0 0 379.048 2.956 10 0 GFAERN C[C@@H]1C[C@H](O)CCN1C(=O)c1cc(Cl)ccc1I ZINC000601721065 565799515 /nfs/dbraw/zinc/79/95/15/565799515.db2.gz OQQCKSUUSBQYOC-PSASIEDQSA-N 0 0 379.625 2.930 10 0 GFAERN C[C@H]1CN(c2nc3ccccc3c3nnc(C4CC4)n32)CCN1C(=O)C1CCC1 ZINC000034707231 570302245 /nfs/dbraw/zinc/30/22/45/570302245.db2.gz FMRPJSNKMDVZEB-AWEZNQCLSA-N 0 0 390.491 2.992 10 0 GFAERN COc1cc(OC)c(NC(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1Cl ZINC000224140210 570423043 /nfs/dbraw/zinc/42/30/43/570423043.db2.gz PPLZHXXHSXHKRE-UHFFFAOYSA-N 0 0 394.863 2.923 10 0 GFAERN CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000036250470 570585800 /nfs/dbraw/zinc/58/58/00/570585800.db2.gz GLJYYDAABHATOL-LJQANCHMSA-N 0 0 377.573 2.994 10 0 GFAERN CCCNC(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2ccc(C)c(C)c2)c1=O ZINC000006801179 570603628 /nfs/dbraw/zinc/60/36/28/570603628.db2.gz WCZXEUNLBCXFSP-UHFFFAOYSA-N 0 0 399.878 2.949 10 0 GFAERN O=C(NCCc1nc(-c2ccc3c(c2)OCO3)n[nH]1)c1cc(F)ccc1Cl ZINC000064969410 570619497 /nfs/dbraw/zinc/61/94/97/570619497.db2.gz DYCRNEDKMGNYFE-UHFFFAOYSA-N 0 0 388.786 2.965 10 0 GFAERN CCc1ccc(OCC(=O)Nc2cc(-n3cnnn3)ccc2N2CCCC2)cc1 ZINC000046141101 570650773 /nfs/dbraw/zinc/65/07/73/570650773.db2.gz CDUSAODKLIAFOU-UHFFFAOYSA-N 0 0 392.463 2.842 10 0 GFAERN NC(=O)c1cc(N)cc2nc(-c3ccc(I)cc3)oc21 ZINC000073641720 570663884 /nfs/dbraw/zinc/66/38/84/570663884.db2.gz ATIRKNDMXGFZOP-UHFFFAOYSA-N 0 0 379.157 2.781 10 0 GFAERN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(Cl)cc3)C1)C(=O)N2 ZINC000065248972 570748169 /nfs/dbraw/zinc/74/81/69/570748169.db2.gz XDTPBHLACIHMOD-SFHVURJKSA-N 0 0 392.864 2.633 10 0 GFAERN O=C(Nc1ccc(Cl)cc1)c1cn(C[C@H](O)c2ccc3c(c2)OCO3)nn1 ZINC000065255218 570877029 /nfs/dbraw/zinc/87/70/29/570877029.db2.gz NUTJANXPCWPMDH-HNNXBMFYSA-N 0 0 386.795 2.646 10 0 GFAERN C[C@@H](N[C@@H](C)c1ccccc1Br)C(=O)NC(=O)NCC(F)(F)F ZINC000025240149 654547495 /nfs/dbraw/zinc/54/74/95/654547495.db2.gz YYLGFNTWUPJPBT-DTWKUNHWSA-N 0 0 396.207 2.876 10 0 GFAERN C[C@H]1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C[C@H](C)O1 ZINC000032633635 654606782 /nfs/dbraw/zinc/60/67/82/654606782.db2.gz LGHJNSOMRBBZMV-RYUDHWBXSA-N 0 0 379.507 2.564 10 0 GFAERN COC(=O)[C@H](NC(=O)c1cccc(I)c1)c1ccccc1 ZINC000050512808 654720474 /nfs/dbraw/zinc/72/04/74/654720474.db2.gz HQTGKZVGNCHHDZ-CQSZACIVSA-N 0 0 395.196 2.935 10 0 GFAERN CN(C(=O)Cc1cccc(Br)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122017982 654728358 /nfs/dbraw/zinc/72/83/58/654728358.db2.gz JRKPPNVXMSPWMH-MRXNPFEDSA-N 0 0 389.297 2.909 10 0 GFAERN C[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1Br ZINC000053367911 654745263 /nfs/dbraw/zinc/74/52/63/654745263.db2.gz CEYUGNKZVALZHD-QMMMGPOBSA-N 0 0 389.296 2.649 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000123016200 654750291 /nfs/dbraw/zinc/75/02/91/654750291.db2.gz IEYAWMNKHGDTEG-HNNXBMFYSA-N 0 0 376.881 2.642 10 0 GFAERN O=C1c2cc(Br)ccc2N(CN2CCO[C@H]3CCCC[C@@H]32)C1=O ZINC000054545481 654761822 /nfs/dbraw/zinc/76/18/22/654761822.db2.gz UGYGHCSRTDVOKS-GJZGRUSLSA-N 0 0 379.254 2.579 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(F)cc(Br)c1 ZINC000125042640 654787195 /nfs/dbraw/zinc/78/71/95/654787195.db2.gz JCYWUAFNPHINNM-AWEZNQCLSA-N 0 0 379.233 2.777 10 0 GFAERN O=C(Cc1ccc(Br)c(F)c1)N1CCCN(c2cccnn2)CC1 ZINC000126644679 654817481 /nfs/dbraw/zinc/81/74/81/654817481.db2.gz HZFCBMUXECQJIJ-UHFFFAOYSA-N 0 0 393.260 2.660 10 0 GFAERN Cc1noc([C@@H](C)N2CCN(CCOc3ccccc3Br)CC2)n1 ZINC000126667916 654818463 /nfs/dbraw/zinc/81/84/63/654818463.db2.gz GAHUYECRRFYBBV-CYBMUJFWSA-N 0 0 395.301 2.898 10 0 GFAERN Cc1[nH]c(=O)c(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1Br ZINC000127083866 654824625 /nfs/dbraw/zinc/82/46/25/654824625.db2.gz QYGMKWRALHNWPD-UHFFFAOYSA-N 0 0 393.285 2.914 10 0 GFAERN CC(C)N(CCS(C)(=O)=O)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000129629263 654868939 /nfs/dbraw/zinc/86/89/39/654868939.db2.gz DCXPDWKSYHHRIE-LBPRGKRZSA-N 0 0 391.331 2.975 10 0 GFAERN O=C(NCCOC(=O)[C@H]1COc2ccc(Br)cc21)c1ccccc1 ZINC000130144269 654880584 /nfs/dbraw/zinc/88/05/84/654880584.db2.gz YBEHCLGSOYCOOG-HNNXBMFYSA-N 0 0 390.233 2.898 10 0 GFAERN CCN(CC)C(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000130920470 654893925 /nfs/dbraw/zinc/89/39/25/654893925.db2.gz CKBVRMOGTZKGJW-UHFFFAOYSA-N 0 0 379.258 2.501 10 0 GFAERN COCC(=O)N[C@H](C(=O)O[C@@H](C)c1ccc(Br)cc1F)C(C)C ZINC000131101545 654896515 /nfs/dbraw/zinc/89/65/15/654896515.db2.gz VSPUJRPSXZHDTJ-BONVTDFDSA-N 0 0 390.249 2.980 10 0 GFAERN CN1CCO[C@H](CNC(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC000134721336 655002070 /nfs/dbraw/zinc/00/20/70/655002070.db2.gz CGAVPFXKRGJJAZ-CYBMUJFWSA-N 0 0 387.343 2.767 10 0 GFAERN C/N=C1/S/C(=C\c2cc(Br)c(OC(C)=O)c(OC)c2)C(=O)N1C ZINC000083313836 655008061 /nfs/dbraw/zinc/00/80/61/655008061.db2.gz RTOBNHIAQOTZNL-YGVPPGCGSA-N 0 0 399.266 2.915 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(F)c(Cl)c1 ZINC000098038757 655038832 /nfs/dbraw/zinc/03/88/32/655038832.db2.gz XNAAEXPYLCEAEP-SNVBAGLBSA-N 0 0 391.873 2.922 10 0 GFAERN C[C@H](OC(=O)c1ccc(=O)n(C)c1)c1ccc(I)cc1 ZINC000103824738 655076554 /nfs/dbraw/zinc/07/65/54/655076554.db2.gz XZWRSHSBYFGADV-JTQLQIEISA-N 0 0 383.185 2.908 10 0 GFAERN CN1CCO[C@@H](CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000104797641 655087014 /nfs/dbraw/zinc/08/70/14/655087014.db2.gz IYOQXPZTXKULRJ-JKSUJKDBSA-N 0 0 382.302 2.626 10 0 GFAERN COCCN1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000106107378 655102657 /nfs/dbraw/zinc/10/26/57/655102657.db2.gz ZAEKIHOWPBBWBQ-CQSZACIVSA-N 0 0 388.339 2.604 10 0 GFAERN C[C@H](C(=O)Nc1nccs1)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161179 655104146 /nfs/dbraw/zinc/10/41/46/655104146.db2.gz DRJWFTUJVNRRRX-KGLIPLIRSA-N 0 0 380.539 2.537 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000106394730 655107823 /nfs/dbraw/zinc/10/78/23/655107823.db2.gz CEYSLCLQNMZRKJ-OAHLLOKOSA-N 0 0 379.913 2.992 10 0 GFAERN CCCn1cc(CN2CCCN(C(=O)c3ccc(Br)o3)CC2)cn1 ZINC000109665439 655150139 /nfs/dbraw/zinc/15/01/39/655150139.db2.gz NHXQPYABOJOSHB-UHFFFAOYSA-N 0 0 395.301 2.997 10 0 GFAERN Cn1cc([C@@H]2CCCN2CN2C(=O)C(=O)c3cc(Br)ccc32)cn1 ZINC000171361369 655151098 /nfs/dbraw/zinc/15/10/98/655151098.db2.gz LFKJLKUWJLORGM-AWEZNQCLSA-N 0 0 389.253 2.507 10 0 GFAERN C[C@H]1CN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CCS1 ZINC000171575518 655152655 /nfs/dbraw/zinc/15/26/55/655152655.db2.gz WTUKMNQRTFYNDU-NSHDSACASA-N 0 0 377.535 2.760 10 0 GFAERN S=c1oc(-c2ccccc2Cl)nn1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172959311 655161556 /nfs/dbraw/zinc/16/15/56/655161556.db2.gz LBDQCRVQDIYFFV-CYBMUJFWSA-N 0 0 380.901 2.890 10 0 GFAERN C[C@H](CCNS(=O)(=O)c1cc(F)c(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000173090407 655163037 /nfs/dbraw/zinc/16/30/37/655163037.db2.gz OOQKZMKPLXRQST-SECBINFHSA-N 0 0 382.404 2.686 10 0 GFAERN O=S(=O)(c1sccc1Br)N1CCO[C@H](c2nccs2)C1 ZINC000111343422 655169087 /nfs/dbraw/zinc/16/90/87/655169087.db2.gz HYJPEFBYYPAJLQ-VIFPVBQESA-N 0 0 395.325 2.729 10 0 GFAERN O=S(=O)(c1ccccc1Br)N1CCO[C@@H](c2nccs2)C1 ZINC000111344044 655169382 /nfs/dbraw/zinc/16/93/82/655169382.db2.gz KGQCGIVVJXXJKX-LLVKDONJSA-N 0 0 389.296 2.668 10 0 GFAERN Ic1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000173752571 655179703 /nfs/dbraw/zinc/17/97/03/655179703.db2.gz FLOIXYSDPGRNSQ-CQSZACIVSA-N 0 0 382.249 2.795 10 0 GFAERN COCc1c(Br)cccc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173899470 655184156 /nfs/dbraw/zinc/18/41/56/655184156.db2.gz WQVJSDFRJHSEBW-CYBMUJFWSA-N 0 0 398.301 2.534 10 0 GFAERN O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@H](N2CCOCC2)C1 ZINC000173908028 655184807 /nfs/dbraw/zinc/18/48/07/655184807.db2.gz XJCKUEMSTWWBQH-SUMWQHHRSA-N 0 0 394.313 2.553 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000176024328 655232135 /nfs/dbraw/zinc/23/21/35/655232135.db2.gz PZLGERXRJYPVAL-OCCSQVGLSA-N 0 0 398.301 2.546 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)c3ccc(I)c(F)c3)C2)cn1 ZINC000116111380 655243937 /nfs/dbraw/zinc/24/39/37/655243937.db2.gz ASHZPGDDFXUMJG-NSHDSACASA-N 0 0 399.207 2.794 10 0 GFAERN Cc1cccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1I ZINC000116113936 655243947 /nfs/dbraw/zinc/24/39/47/655243947.db2.gz SYZTVRDGUWPRFF-GFCCVEGCSA-N 0 0 395.244 2.963 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc(I)c(F)c3)C2)cn1 ZINC000116111378 655243985 /nfs/dbraw/zinc/24/39/85/655243985.db2.gz ASHZPGDDFXUMJG-LLVKDONJSA-N 0 0 399.207 2.794 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)c3ccccc3I)C2)cn1 ZINC000116123480 655244344 /nfs/dbraw/zinc/24/43/44/655244344.db2.gz DHEZONZVXALADD-NSHDSACASA-N 0 0 381.217 2.654 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)CCOc3ccccc3Br)C2)cn1 ZINC000116124183 655244481 /nfs/dbraw/zinc/24/44/81/655244481.db2.gz PUCZZCWKHUFSRO-CYBMUJFWSA-N 0 0 378.270 2.968 10 0 GFAERN COCCN1CCN(C(=O)CCc2cc(Br)cs2)C[C@@H]1C ZINC000117284005 655263168 /nfs/dbraw/zinc/26/31/68/655263168.db2.gz AXWMBZKNVOCMBX-LBPRGKRZSA-N 0 0 375.332 2.622 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cc(Br)cnc2Cl)CCN1CCOC ZINC000117303127 655263645 /nfs/dbraw/zinc/26/36/45/655263645.db2.gz CMWSFCNTHCMNJF-GFCCVEGCSA-N 0 0 390.709 2.680 10 0 GFAERN COCCN1CCN(C(=O)CCc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC000117292823 655263721 /nfs/dbraw/zinc/26/37/21/655263721.db2.gz ULAVBDANSHWFAL-AWEZNQCLSA-N 0 0 399.329 2.569 10 0 GFAERN CCN1C(=S)N=NC1[C@H]1CCCN(S(=O)(=O)C=Cc2ccccc2)C1 ZINC000117926851 655270115 /nfs/dbraw/zinc/27/01/15/655270115.db2.gz YUUPKLIEZRTONV-PABFRNLHSA-N 0 0 378.523 2.767 10 0 GFAERN C[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)Oc1ccccc1Br ZINC000177376806 655274396 /nfs/dbraw/zinc/27/43/96/655274396.db2.gz GQWNMXPSPDRRPM-YPMHNXCESA-N 0 0 394.273 2.642 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(I)cc1 ZINC000177689469 655286234 /nfs/dbraw/zinc/28/62/34/655286234.db2.gz XGRBFXBLHFFKJW-LBPRGKRZSA-N 0 0 397.220 2.848 10 0 GFAERN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)C[C@H]1N1CCOCC1 ZINC000177760028 655287826 /nfs/dbraw/zinc/28/78/26/655287826.db2.gz UKWLHNPVHKCGHM-IAQYHMDHSA-N 0 0 386.265 2.773 10 0 GFAERN CN(C(=O)Nc1cccnc1Br)[C@H]1CCCN(c2cccnn2)C1 ZINC000119710881 655312121 /nfs/dbraw/zinc/31/21/21/655312121.db2.gz HGWWTTUKKWJYEZ-LBPRGKRZSA-N 0 0 391.273 2.767 10 0 GFAERN CCCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N(CC)CC ZINC000119900618 655320311 /nfs/dbraw/zinc/32/03/11/655320311.db2.gz FFMKLYPOIJZGCQ-UHFFFAOYSA-N 0 0 385.258 2.823 10 0 GFAERN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000180641536 655329104 /nfs/dbraw/zinc/32/91/04/655329104.db2.gz JLKLRCZVHBCFAB-MEBBXXQBSA-N 0 0 383.279 2.562 10 0 GFAERN Cc1cc(CN2CCN(c3ccc4nncn4n3)CC2)ccc1Br ZINC000120473957 655336598 /nfs/dbraw/zinc/33/65/98/655336598.db2.gz TWLQRDIERGKIHV-UHFFFAOYSA-N 0 0 387.285 2.517 10 0 GFAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000120473796 655336626 /nfs/dbraw/zinc/33/66/26/655336626.db2.gz NXACHMRCZAXPAT-SECBINFHSA-N 0 0 381.816 2.545 10 0 GFAERN Cc1cc(I)ccc1NC(=O)CN1[C@@H](C)COC[C@@H]1C ZINC000120875323 655345851 /nfs/dbraw/zinc/34/58/51/655345851.db2.gz MPAPBBSYFMEGML-RYUDHWBXSA-N 0 0 388.249 2.647 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NNc1ccc(Br)c(F)c1 ZINC000184256821 655356472 /nfs/dbraw/zinc/35/64/72/655356472.db2.gz ZGLZPXCJZSVAFL-GFCCVEGCSA-N 0 0 376.226 2.802 10 0 GFAERN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000189409466 655386374 /nfs/dbraw/zinc/38/63/74/655386374.db2.gz JAYWARSTAOZNFG-JOYOIKCWSA-N 0 0 393.259 2.512 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1S(=O)(=O)CCc1cccs1 ZINC000192018390 655402016 /nfs/dbraw/zinc/40/20/16/655402016.db2.gz KDUMMCLEYFESKQ-AWEZNQCLSA-N 0 0 388.555 3.000 10 0 GFAERN COCCn1c(C(=O)Nc2cc(C)nn2C)cc2oc(Br)cc21 ZINC000223707481 655422478 /nfs/dbraw/zinc/42/24/78/655422478.db2.gz NPEZRDLZBRFLGS-UHFFFAOYSA-N 0 0 381.230 2.937 10 0 GFAERN CC[C@H](c1nn(CN2CCS(=O)(=O)[C@@H](C)C2)c(=S)o1)c1ccccc1 ZINC000246963059 655430859 /nfs/dbraw/zinc/43/08/59/655430859.db2.gz GGBPECPQSDRNJV-ZFWWWQNUSA-N 0 0 381.523 2.824 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2sccc2Br)CC1 ZINC000262931355 655447828 /nfs/dbraw/zinc/44/78/28/655447828.db2.gz MDNOXAOHHDTHDO-UHFFFAOYSA-N 0 0 375.288 2.522 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](C)c2ccccc2Br)C1 ZINC000263009412 655448473 /nfs/dbraw/zinc/44/84/73/655448473.db2.gz NODOSLYHSLUHAV-HIFPTAJRSA-N 0 0 398.301 2.747 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC000702796081 655521836 /nfs/dbraw/zinc/52/18/36/655521836.db2.gz MPNSTRBLBIDNMV-GXFFZTMASA-N 0 0 389.279 2.951 10 0 GFAERN Cc1nc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1Br ZINC000702858672 655521912 /nfs/dbraw/zinc/52/19/12/655521912.db2.gz NVPCGOTXDJOBCC-AAEUAGOBSA-N 0 0 386.290 2.792 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC000702796710 655521918 /nfs/dbraw/zinc/52/19/18/655521918.db2.gz OHUIWFQLMCIJSW-GXFFZTMASA-N 0 0 389.279 2.951 10 0 GFAERN CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000779845759 656949233 /nfs/dbraw/zinc/94/92/33/656949233.db2.gz JIRFKRMSRKXJSM-MCIONIFRSA-N 0 0 386.235 2.707 10 0 GFAERN CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(C(=O)c2ccnc(Cl)c2Cl)C1 ZINC000908092565 664082681 /nfs/dbraw/zinc/08/26/81/664082681.db2.gz MEXYXMXYNCKWQW-KOLCDFICSA-N 0 0 382.251 2.986 10 0 GFAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)c1ccc(C2SCCCS2)cc1 ZINC000909158014 664147113 /nfs/dbraw/zinc/14/71/13/664147113.db2.gz UXQQRLGYDCYTFM-OWCLPIDISA-N 0 0 375.519 2.856 10 0 GFAERN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc1 ZINC000504624141 231332119 /nfs/dbraw/zinc/33/21/19/231332119.db2.gz KEXKZZSHCPPTLW-RYQLBKOJSA-N 0 0 390.480 2.729 10 0 GFAERN Cc1cccc(C(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)c1 ZINC000019144522 210228561 /nfs/dbraw/zinc/22/85/61/210228561.db2.gz SBKRBEMSTQHJAK-SFHVURJKSA-N 0 0 381.480 2.564 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000017325647 210210391 /nfs/dbraw/zinc/21/03/91/210210391.db2.gz TUWYZMRUHFTMTM-STQMWFEESA-N 0 0 388.917 2.620 10 0 GFAERN O=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NC1(c2ccccc2)CC1 ZINC000015073434 210150351 /nfs/dbraw/zinc/15/03/51/210150351.db2.gz WBTNXKPFBXAIII-CLNPQZTCSA-N 0 0 389.499 2.696 10 0 GFAERN CC(C)CNC(=O)c1cn([C@H]2CCCN(C(=O)/C=C/c3cccs3)C2)nn1 ZINC000014987130 210141838 /nfs/dbraw/zinc/14/18/38/210141838.db2.gz OQHZWQXZEVQMFG-KIUWMYQTSA-N 0 0 387.509 2.602 10 0 GFAERN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cc(C)n[nH]3)C2)c1 ZINC000013596689 210071212 /nfs/dbraw/zinc/07/12/12/210071212.db2.gz XUZIWIXQMPDPJW-INIZCTEOSA-N 0 0 384.480 2.676 10 0 GFAERN CCc1ccc(OC[C@H](O)Cn2c3cc(C)nn3c3ccccc3c2=O)cc1 ZINC000012912260 210028101 /nfs/dbraw/zinc/02/81/01/210028101.db2.gz QVHQIHBSIGUEPK-QGZVFWFLSA-N 0 0 377.444 2.960 10 0 GFAERN C[C@H](CN1CCN([C@H]2Cc3ccccc3C[C@@H]2O)CC1)C(=O)c1ccccc1 ZINC000022032922 209237081 /nfs/dbraw/zinc/23/70/81/209237081.db2.gz SZDLYOHKAVLHRP-LEOXJPRUSA-N 0 0 378.516 2.651 10 0 GFAERN COc1ccc(/C=C2/c3cc(OC)c(OC)cc3CCN2C=O)c(O)c1OC ZINC000018187595 209234213 /nfs/dbraw/zinc/23/42/13/209234213.db2.gz YYHGQOLZRYICRS-SXGWCWSVSA-N 0 0 385.416 2.939 10 0 in-vitro GFAERN Fc1ccc(N2CCN(CCSc3nnc4ccccn43)CC2)c(F)c1 ZINC000067839144 209217135 /nfs/dbraw/zinc/21/71/35/209217135.db2.gz LOKBLLCVOKCEFR-UHFFFAOYSA-N 0 0 375.448 2.922 10 0 in-man GFAERN COc1cc(CC[C@H](O)CC(=O)CC[C@@H]2CC[C@@H](O)[C@H](OC)C2)ccc1O ZINC000247942138 209216739 /nfs/dbraw/zinc/21/67/39/209216739.db2.gz XMNDMZNXKHJPKM-NNNWTRQLSA-N 0 0 380.481 2.610 10 0 GFAERN Cc1csc2nc(C)c(S(=O)(=O)N3CCCc4ccccc43)c(=O)n12 ZINC000006823903 212070307 /nfs/dbraw/zinc/07/03/07/212070307.db2.gz VSESXNMWWDVCIU-UHFFFAOYSA-N 0 0 375.475 2.514 10 0 GFAERN CCOCc1nn2c(nc(COC(=O)c3ccccc3Cl)cc2=O)s1 ZINC000041077268 212042709 /nfs/dbraw/zinc/04/27/09/212042709.db2.gz XKOBNUOIAVQVNP-UHFFFAOYSA-N 0 0 379.825 2.698 10 0 GFAERN COc1ccc2c(c1)[nH]c1c2C[C@@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@@H]1C=C(C)C ZINC000015219784 211709737 /nfs/dbraw/zinc/70/97/37/211709737.db2.gz DBEYVIGIPJSTOR-IPMKNSEASA-N 0 0 379.460 2.942 10 0 GFAERN CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(Cl)nc2C(F)(F)F)CC1 ZINC000098213302 211379531 /nfs/dbraw/zinc/37/95/31/211379531.db2.gz PDJZLLNZMQJBKB-UHFFFAOYSA-N 0 0 394.781 2.842 10 0 GFAERN Cc1nnc(-c2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)c[nH]2)o1 ZINC000096321590 211335176 /nfs/dbraw/zinc/33/51/76/211335176.db2.gz LJRJUGIBNKOCIU-UHFFFAOYSA-N 0 0 376.438 2.639 10 0 GFAERN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)N1CCC2(CC1)OCCO2 ZINC000096386850 211338865 /nfs/dbraw/zinc/33/88/65/211338865.db2.gz NNHWRYSIQDXOSV-GOSISDBHSA-N 0 0 393.443 2.539 10 0 GFAERN CC(C)N1CCN(C(=O)c2ccc3c(c2)CC(=O)N3Cc2ccccc2)CC1 ZINC000096386232 211337829 /nfs/dbraw/zinc/33/78/29/211337829.db2.gz LYSIBRMQLKLIBD-UHFFFAOYSA-N 0 0 377.488 2.942 10 0 GFAERN CCc1ncc(C(=O)N2CCc3ccc(NC(=O)c4ccccn4)cc3C2)cn1 ZINC000095498122 211250736 /nfs/dbraw/zinc/25/07/36/211250736.db2.gz PGGRLTZWIYWRSI-UHFFFAOYSA-N 0 0 387.443 2.885 10 0 GFAERN CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccccc1F ZINC000095074456 211217470 /nfs/dbraw/zinc/21/74/70/211217470.db2.gz ZLYQAIPNRHCNKE-OAHLLOKOSA-N 0 0 386.489 2.987 10 0 GFAERN CCn1nc(C)c(CCNC(=O)[C@H]2CCCN(C(=O)c3[nH]c(C)cc3C)C2)c1C ZINC000085620470 211177446 /nfs/dbraw/zinc/17/74/46/211177446.db2.gz UHUMUJQUHGVSCN-SFHVURJKSA-N 0 0 399.539 2.676 10 0 GFAERN O=C(N[C@H](CO)c1ccccc1)c1cc(CN2CCc3ccccc3C2)on1 ZINC000067921058 211029947 /nfs/dbraw/zinc/02/99/47/211029947.db2.gz PZFNKYQAGAQKLM-OAQYLSRUSA-N 0 0 377.444 2.696 10 0 GFAERN CC1CCN(C(=O)C2CCN(c3nnc(-n4cccc4C=O)s3)CC2)CC1 ZINC000049455309 210862660 /nfs/dbraw/zinc/86/26/60/210862660.db2.gz HEMZOPPYVYSRHV-UHFFFAOYSA-N 0 0 387.509 2.616 10 0 GFAERN COc1cccc(CCNC(=O)Cn2c3cc(C)c(C)cc3nc(C)c2=O)c1 ZINC000032977937 210609081 /nfs/dbraw/zinc/60/90/81/210609081.db2.gz AFESGXOAYLUWIS-UHFFFAOYSA-N 0 0 379.460 2.689 10 0 GFAERN CCCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccccc2)CC1 ZINC000021713642 210390255 /nfs/dbraw/zinc/39/02/55/210390255.db2.gz QMKMPMLCNAMIJW-UHFFFAOYSA-N 0 0 378.480 2.658 10 0 GFAERN Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000020533114 210345252 /nfs/dbraw/zinc/34/52/52/210345252.db2.gz ODRKXOPPAJJWTP-KRWDZBQOSA-N 0 0 379.526 2.622 10 0 GFAERN Cc1ccccc1CN1CCN(Cc2cc(=O)c3ccccc3[nH]2)C[C@@H]1CCO ZINC000020454616 210335251 /nfs/dbraw/zinc/33/52/51/210335251.db2.gz RGMIXGGFKWQJFR-NRFANRHFSA-N 0 0 391.515 2.905 10 0 GFAERN COC(=O)[C@@]1([S@@](=O)Oc2ccc(C)cc2)CCCN1C(=O)OC(C)(C)C ZINC000504747665 533149437 /nfs/dbraw/zinc/14/94/37/533149437.db2.gz JZXUYJZLKVLAES-QYBDOPJKSA-N 0 0 383.466 2.938 10 0 GFAERN CC(=O)N1CCc2ccccc2[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000065230806 136160665 /nfs/dbraw/zinc/16/06/65/136160665.db2.gz FXEGOLAVVMKLJY-OAQYLSRUSA-N 0 0 381.451 2.620 10 0 GFAERN CCc1ccc(N2CCN(CCCn3nc4ccccn4c3=O)CC2)cc1Cl ZINC000077292452 136171908 /nfs/dbraw/zinc/17/19/08/136171908.db2.gz FAKVJGFSBCIPNY-UHFFFAOYSA-N 0 0 399.926 2.924 10 0 in-vitro GFAERN O=C(NCc1nccc(N2CCOCC2)n1)C(c1ccccc1)c1ccccc1 ZINC000224170670 136206448 /nfs/dbraw/zinc/20/64/48/136206448.db2.gz LOUZWLAEMWCVRR-UHFFFAOYSA-N 0 0 388.471 2.762 10 0 GFAERN COc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1Cl ZINC000224214435 136206476 /nfs/dbraw/zinc/20/64/76/136206476.db2.gz QOAJUNIFDRPVJC-UHFFFAOYSA-N 0 0 396.900 2.607 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)Nc1ccn(C)n1)CC2 ZINC000275520155 519469895 /nfs/dbraw/zinc/46/98/95/519469895.db2.gz DASWSGGCPSDSGS-MRXNPFEDSA-N 0 0 387.509 2.917 10 0 GFAERN CN1C(=O)CC2(CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc21 ZINC000096080214 536306811 /nfs/dbraw/zinc/30/68/11/536306811.db2.gz SNXIVHKBYUGFJF-UHFFFAOYSA-N 0 0 376.503 2.837 10 0 GFAERN COc1ccc2nc(NC(=O)CN3C(=S)NC(C)(C)C[C@@H]3C)sc2c1 ZINC000003654841 551094206 /nfs/dbraw/zinc/09/42/06/551094206.db2.gz PKLOYMIRHCOMSG-JTQLQIEISA-N 0 0 378.523 2.991 10 0 GFAERN C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000010382771 551105071 /nfs/dbraw/zinc/10/50/71/551105071.db2.gz VHYBSSKMHIIPOD-SNVBAGLBSA-N 0 0 376.463 2.826 10 0 GFAERN C[C@@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccc(Cl)s1 ZINC000033193218 551133445 /nfs/dbraw/zinc/13/34/45/551133445.db2.gz QYMWFTGSEAUINA-SNVBAGLBSA-N 0 0 377.853 2.944 10 0 GFAERN C[C@H](NC(=O)c1sccc1-n1cnnn1)c1ccccc1Br ZINC000047904078 551154353 /nfs/dbraw/zinc/15/43/53/551154353.db2.gz RPEHGVLHFNMSFC-VIFPVBQESA-N 0 0 378.255 2.977 10 0 GFAERN CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000048004006 551155143 /nfs/dbraw/zinc/15/51/43/551155143.db2.gz NMIJTRZAJAPTGC-ZDUSSCGKSA-N 0 0 389.323 2.927 10 0 GFAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)o1 ZINC000115867836 551210005 /nfs/dbraw/zinc/21/00/05/551210005.db2.gz SNVZQFGGDXHEKX-SSINHNECSA-N 0 0 382.869 2.936 10 0 GFAERN CCOc1c(Br)cc(CN2CC[C@@H](N3CCOCC3)C2)cc1OC ZINC000120969033 551223818 /nfs/dbraw/zinc/22/38/18/551223818.db2.gz FGBGHRKLGYFLSA-OAHLLOKOSA-N 0 0 399.329 2.763 10 0 GFAERN Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CCC[C@@H]2CO)c1 ZINC000121138337 551227795 /nfs/dbraw/zinc/22/77/95/551227795.db2.gz GTLDVSDMNCLQHD-LLVKDONJSA-N 0 0 376.400 2.571 10 0 GFAERN O=C(c1cncc(I)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000121366331 551233204 /nfs/dbraw/zinc/23/32/04/551233204.db2.gz RUGFWASSJBJHNQ-CYBMUJFWSA-N 0 0 382.205 2.777 10 0 GFAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(Br)cc2C(C)C)c1 ZINC000121935731 551293225 /nfs/dbraw/zinc/29/32/25/551293225.db2.gz JWYKADBMJJWXTK-UHFFFAOYSA-N 0 0 393.285 2.832 10 0 GFAERN Cn1nccc1C1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000124669905 551316340 /nfs/dbraw/zinc/31/63/40/551316340.db2.gz YGZGJZWRCDHCIV-UHFFFAOYSA-N 0 0 378.270 2.968 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(C)nc3Br)C2)no1 ZINC000130408499 551364729 /nfs/dbraw/zinc/36/47/29/551364729.db2.gz GNLQAIOEGRABGF-LBPRGKRZSA-N 0 0 379.258 2.939 10 0 GFAERN Cc1cc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)sc1Br ZINC000150040360 551399509 /nfs/dbraw/zinc/39/95/09/551399509.db2.gz QEVWLYWLPMSUOT-LLVKDONJSA-N 0 0 379.345 2.678 10 0 GFAERN C[C@H](C(=O)N1CCO[C@@H](C)[C@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000151072208 551406638 /nfs/dbraw/zinc/40/66/38/551406638.db2.gz HNOLUXDQUGCIGF-BBBLOLIVSA-N 0 0 385.247 2.614 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CSC(=S)N1CCC(C)CC1 ZINC000151262357 551410131 /nfs/dbraw/zinc/41/01/31/551410131.db2.gz CXZCLRGYGROAKQ-CYBMUJFWSA-N 0 0 381.571 2.542 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(F)c(Br)c1 ZINC000151279460 551410905 /nfs/dbraw/zinc/41/09/05/551410905.db2.gz ANVCYAFSYUSLHG-CYBMUJFWSA-N 0 0 381.249 2.936 10 0 GFAERN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)cc1Cl ZINC000153156502 551447279 /nfs/dbraw/zinc/44/72/79/551447279.db2.gz HTOSPUKYGAWHIQ-OAHLLOKOSA-N 0 0 382.844 2.934 10 0 GFAERN CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000153962723 551463985 /nfs/dbraw/zinc/46/39/85/551463985.db2.gz VKGICDMDTNPMPB-GFCCVEGCSA-N 0 0 385.482 2.831 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000155221510 551494933 /nfs/dbraw/zinc/49/49/33/551494933.db2.gz XLMXUGHYZSASLK-ZDUSSCGKSA-N 0 0 385.251 2.761 10 0 GFAERN COC(=O)Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000155237519 551495404 /nfs/dbraw/zinc/49/54/04/551495404.db2.gz YEYBNKVXJRKASJ-JTQLQIEISA-N 0 0 380.853 2.933 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1cc(Cl)ccc1Cl ZINC000155369955 551498674 /nfs/dbraw/zinc/49/86/74/551498674.db2.gz VOYLOZHJBFWBKY-GFCCVEGCSA-N 0 0 385.251 2.761 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000155508396 551501394 /nfs/dbraw/zinc/50/13/94/551501394.db2.gz PZUYWJWWGMELMC-SNVBAGLBSA-N 0 0 378.420 2.752 10 0 GFAERN NC(=O)[C@H](c1cccc(Br)c1)N1CCC(Cn2cccn2)CC1 ZINC000157198042 551535125 /nfs/dbraw/zinc/53/51/25/551535125.db2.gz GTLBPAMGZLOWFH-INIZCTEOSA-N 0 0 377.286 2.584 10 0 GFAERN NC(=O)[C@@H](c1cccc(Br)c1)N1CCO[C@H](c2nccs2)C1 ZINC000157735936 551542147 /nfs/dbraw/zinc/54/21/47/551542147.db2.gz SUQJVFNSMZIFCB-QWHCGFSZSA-N 0 0 382.283 2.506 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(Br)c(Cl)c3)CCO2)[nH]1 ZINC000157833233 551543222 /nfs/dbraw/zinc/54/32/22/551543222.db2.gz RFTJBKBQNDCONO-GFCCVEGCSA-N 0 0 399.676 2.997 10 0 GFAERN O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)[C@H]1CNC(=O)C1 ZINC000158414296 551551908 /nfs/dbraw/zinc/55/19/08/551551908.db2.gz QLQCOFOEMOWKKD-CXAGYDPISA-N 0 0 391.240 2.930 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000158540552 551553237 /nfs/dbraw/zinc/55/32/37/551553237.db2.gz PADWWURVWWBNGH-ZANVPECISA-N 0 0 378.778 2.965 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000170652061 551636940 /nfs/dbraw/zinc/63/69/40/551636940.db2.gz CZOASCZZNHNPJB-LLVKDONJSA-N 0 0 397.273 2.973 10 0 GFAERN CSc1ccc(NC(=O)CN2CCN(Cc3cnc(C)s3)CC2)cc1 ZINC000170941605 551643813 /nfs/dbraw/zinc/64/38/13/551643813.db2.gz YLMVHFFVBOHYDG-UHFFFAOYSA-N 0 0 376.551 2.930 10 0 GFAERN Cc1ccc([C@@H](C)NCC(=O)NCC(=O)Nc2ccccc2Br)o1 ZINC000171235077 551651026 /nfs/dbraw/zinc/65/10/26/551651026.db2.gz CRCHTTUPQKRGKW-GFCCVEGCSA-N 0 0 394.269 2.756 10 0 GFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCc2ccc(Cl)s2)CC1 ZINC000172059551 551669651 /nfs/dbraw/zinc/66/96/51/551669651.db2.gz MDTWMTPQPOVLLH-UHFFFAOYSA-N 0 0 381.933 2.779 10 0 GFAERN O=S(=O)(c1ccc(Br)c(F)c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000173043334 551693117 /nfs/dbraw/zinc/69/31/17/551693117.db2.gz OIDAGIKAPKKYNA-KBPBESRZSA-N 0 0 378.263 2.920 10 0 GFAERN Cc1csc([C@H]2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)C2)n1 ZINC000173075828 551694985 /nfs/dbraw/zinc/69/49/85/551694985.db2.gz AJXLSEBIVYPAHL-JTQLQIEISA-N 0 0 382.283 2.922 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)CCc3cc(Br)cs3)CCO2)[nH]1 ZINC000173096379 551696026 /nfs/dbraw/zinc/69/60/26/551696026.db2.gz KMSYRKLKCKIBFW-GFCCVEGCSA-N 0 0 399.314 2.724 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)[C@H]3SCCc4sccc43)CC2)no1 ZINC000173306803 552082640 /nfs/dbraw/zinc/08/26/40/552082640.db2.gz XFJBTXJWBFFPDU-INIZCTEOSA-N 0 0 378.523 2.504 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@@H]1N1CCOCC1 ZINC000173395618 552084889 /nfs/dbraw/zinc/08/48/89/552084889.db2.gz BNXPOUUEOBDTPP-PXAZEXFGSA-N 0 0 392.297 2.723 10 0 GFAERN Cc1csc([C@H]2CCCN(C(=O)NCCNC(=O)c3cccs3)C2)n1 ZINC000173484552 552086733 /nfs/dbraw/zinc/08/67/33/552086733.db2.gz FHYRJCIIMZFCAA-ZDUSSCGKSA-N 0 0 378.523 2.832 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)c3cccc(Br)c3C)CCO2)[nH]1 ZINC000173577918 552088291 /nfs/dbraw/zinc/08/82/91/552088291.db2.gz TZWSEVDUZYGGPB-ZDUSSCGKSA-N 0 0 379.258 2.652 10 0 GFAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1Br ZINC000173828669 552093065 /nfs/dbraw/zinc/09/30/65/552093065.db2.gz OOGBVUCJAPQXRQ-CHWSQXEVSA-N 0 0 391.306 2.836 10 0 GFAERN COC(=O)c1ccsc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000174612562 552106736 /nfs/dbraw/zinc/10/67/36/552106736.db2.gz XMDOOKHIZVIPTL-BDAKNGLRSA-N 0 0 378.372 2.711 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccc(F)c(Br)c1 ZINC000175702444 552127484 /nfs/dbraw/zinc/12/74/84/552127484.db2.gz NVOOHVUXICALMI-AWEZNQCLSA-N 0 0 396.264 2.865 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000175880741 552131354 /nfs/dbraw/zinc/13/13/54/552131354.db2.gz XJAYIKRIRZLKSK-SWLSCSKDSA-N 0 0 398.301 2.546 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCc2ccc(Br)cc21 ZINC000176802041 552146215 /nfs/dbraw/zinc/14/62/15/552146215.db2.gz HFKMGDBBHHBODN-ZDUSSCGKSA-N 0 0 376.258 2.956 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000177004756 552149352 /nfs/dbraw/zinc/14/93/52/552149352.db2.gz AKBZPOJJQFZUIQ-CYBMUJFWSA-N 0 0 375.281 2.848 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000177003752 552149582 /nfs/dbraw/zinc/14/95/82/552149582.db2.gz JNBJNACWHBZYIB-LLVKDONJSA-N 0 0 378.351 2.558 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3occc3Br)CC2)n1 ZINC000177352022 552153967 /nfs/dbraw/zinc/15/39/67/552153967.db2.gz UYECHEVMMXNVFM-JTQLQIEISA-N 0 0 383.246 2.507 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000177977212 552161957 /nfs/dbraw/zinc/16/19/57/552161957.db2.gz OWELWURADHREQJ-HNNXBMFYSA-N 0 0 391.269 2.584 10 0 GFAERN C[C@@H](COCc1ccccc1)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000178963564 552180835 /nfs/dbraw/zinc/18/08/35/552180835.db2.gz VGLYVRSTFXHZNC-LBPRGKRZSA-N 0 0 394.269 2.875 10 0 GFAERN O=C(Nc1cncc(Br)c1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000179053827 552182905 /nfs/dbraw/zinc/18/29/05/552182905.db2.gz KBMIDNRYTYYQMG-CYBMUJFWSA-N 0 0 396.266 2.884 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(Br)c(O)c1)CC2 ZINC000179149417 552185767 /nfs/dbraw/zinc/18/57/67/552185767.db2.gz OIKBYNDNMVCLKK-NSHDSACASA-N 0 0 379.258 2.614 10 0 GFAERN COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CO)cc1I ZINC000179244977 552187863 /nfs/dbraw/zinc/18/78/63/552187863.db2.gz MOEUTHAOLXKDPI-YPMHNXCESA-N 0 0 389.233 2.581 10 0 GFAERN CC(=O)N[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000179238274 552187980 /nfs/dbraw/zinc/18/79/80/552187980.db2.gz UQLCISWTUXPSGY-DJIMGWMZSA-N 0 0 397.313 2.684 10 0 GFAERN CCc1nnc(CS(=O)(=O)Cc2csc(-c3ccc(F)cc3)n2)n1C ZINC000180045271 552211048 /nfs/dbraw/zinc/21/10/48/552211048.db2.gz BUMFXWXXLJVDEV-UHFFFAOYSA-N 0 0 380.470 2.755 10 0 GFAERN Cc1nnc([C@@H]2CN(Cc3ccc(Br)c4cccnc34)CCO2)[nH]1 ZINC000180238413 552218757 /nfs/dbraw/zinc/21/87/57/552218757.db2.gz VOJDRRCMBLWHOX-HNNXBMFYSA-N 0 0 388.269 2.997 10 0 GFAERN CC[C@@H](CSC)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000180579712 552230044 /nfs/dbraw/zinc/23/00/44/552230044.db2.gz ASVZXLGRFBPEEX-LRDDRELGSA-N 0 0 377.535 2.941 10 0 GFAERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H](C)C2 ZINC000180591949 552230718 /nfs/dbraw/zinc/23/07/18/552230718.db2.gz JHFJPJLWGSQAKF-UGSOOPFHSA-N 0 0 379.503 2.610 10 0 GFAERN C[C@@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1ccccc1Br ZINC000181574151 552261749 /nfs/dbraw/zinc/26/17/49/552261749.db2.gz PCZROEPJHQFNEN-CYBMUJFWSA-N 0 0 397.313 2.902 10 0 GFAERN Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000182066783 552274462 /nfs/dbraw/zinc/27/44/62/552274462.db2.gz ARYFTVBAJAJKRC-AWEZNQCLSA-N 0 0 377.286 2.830 10 0 GFAERN O=C(CNC(=O)N(Cc1cccc(Br)c1)C1CC1)NCC1CC1 ZINC000183794460 552319062 /nfs/dbraw/zinc/31/90/62/552319062.db2.gz UAGVDWKKSRYRPD-UHFFFAOYSA-N 0 0 380.286 2.649 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1(c2ncon2)CCOCC1 ZINC000184055491 552326373 /nfs/dbraw/zinc/32/63/73/552326373.db2.gz VRSIYXVQOHACMJ-SNVBAGLBSA-N 0 0 386.235 2.966 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000184711290 552342987 /nfs/dbraw/zinc/34/29/87/552342987.db2.gz ZTYCRZPSWJZEQK-CJNGLKHVSA-N 0 0 384.318 2.608 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000186655342 552393758 /nfs/dbraw/zinc/39/37/58/552393758.db2.gz KMHXXTPAJNKNMX-GFCCVEGCSA-N 0 0 389.279 2.770 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)ncc1Cl ZINC000187625845 552420652 /nfs/dbraw/zinc/42/06/52/552420652.db2.gz JFBYGMRTLHGZPO-SNVBAGLBSA-N 0 0 384.665 2.916 10 0 GFAERN Cc1ccc(Br)nc1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000187878639 552427149 /nfs/dbraw/zinc/42/71/49/552427149.db2.gz DZFRZIFRRYEQJH-LLVKDONJSA-N 0 0 378.274 2.612 10 0 GFAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000188104633 552434983 /nfs/dbraw/zinc/43/49/83/552434983.db2.gz RJDXEVNYDXMIRO-UHFFFAOYSA-N 0 0 391.269 2.825 10 0 GFAERN Cc1cc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)nc(N(C)C)n1 ZINC000188281566 552441515 /nfs/dbraw/zinc/44/15/15/552441515.db2.gz YQUWEDHQWWPQML-UHFFFAOYSA-N 0 0 375.281 2.636 10 0 GFAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cn2ccnc2s1 ZINC000188484493 552446078 /nfs/dbraw/zinc/44/60/78/552446078.db2.gz FRJQWGPQZNMBHL-CYBMUJFWSA-N 0 0 376.507 2.603 10 0 GFAERN O=C(NC1CN(C(=O)C2(c3cccc(Br)c3)CC2)C1)C1CCC1 ZINC000188543595 552447733 /nfs/dbraw/zinc/44/77/33/552447733.db2.gz GEVOGSFDQKOZON-UHFFFAOYSA-N 0 0 377.282 2.608 10 0 GFAERN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC(NC(=O)C2CCC2)C1 ZINC000188566419 552448466 /nfs/dbraw/zinc/44/84/66/552448466.db2.gz ZUHUUNFAQAYWRF-UHFFFAOYSA-N 0 0 390.281 2.600 10 0 GFAERN COc1c(C)cc(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1C ZINC000188877843 552457621 /nfs/dbraw/zinc/45/76/21/552457621.db2.gz QRAIQUASZQCYSJ-RDJZCZTQSA-N 0 0 381.519 2.770 10 0 GFAERN O=C(NC1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1)C1CC1 ZINC000189413790 552470911 /nfs/dbraw/zinc/47/09/11/552470911.db2.gz PJWVVMHJPCKMAN-UHFFFAOYSA-N 0 0 379.247 2.530 10 0 GFAERN O=C(CCCCOc1ccc(Br)cc1)N1CC(NC(=O)C2CC2)C1 ZINC000189485067 552472514 /nfs/dbraw/zinc/47/25/14/552472514.db2.gz HEJGJHPYWBLXDQ-UHFFFAOYSA-N 0 0 395.297 2.735 10 0 GFAERN O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCO[C@H](c2nccs2)C1 ZINC000189603690 552475598 /nfs/dbraw/zinc/47/55/98/552475598.db2.gz WOVGWMFMKKVZCD-ZDUSSCGKSA-N 0 0 376.862 2.839 10 0 GFAERN O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000190566383 552501244 /nfs/dbraw/zinc/50/12/44/552501244.db2.gz SHXUECYVVBQXET-JTQLQIEISA-N 0 0 386.214 2.526 10 0 GFAERN CC[C@H]1CN(C(=O)c2scc(C)c2Br)CCN1C[C@@H](C)O ZINC000190998753 552516469 /nfs/dbraw/zinc/51/64/69/552516469.db2.gz KFHSXJJNKCKHKL-NEPJUHHUSA-N 0 0 375.332 2.736 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000191783274 552537935 /nfs/dbraw/zinc/53/79/35/552537935.db2.gz XKMIWRFMIBZSCP-WDEREUQCSA-N 0 0 380.293 2.796 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000193587885 552997614 /nfs/dbraw/zinc/99/76/14/552997614.db2.gz NBIIDWUMKXKGQU-GXTWGEPZSA-N 0 0 391.269 2.558 10 0 GFAERN C[C@@H](NC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccs1 ZINC000193596584 552998183 /nfs/dbraw/zinc/99/81/83/552998183.db2.gz UDPHWEPXCJSHHZ-CYBMUJFWSA-N 0 0 379.507 2.866 10 0 GFAERN CNC(=O)Cn1cc(NC(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)cn1 ZINC000193898408 553006464 /nfs/dbraw/zinc/00/64/64/553006464.db2.gz VRPCUETYYNYHTJ-QMMMGPOBSA-N 0 0 388.230 2.958 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194383914 553019099 /nfs/dbraw/zinc/01/90/99/553019099.db2.gz AEFCUUGSOYXAEC-NVXWUHKLSA-N 0 0 390.281 2.949 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1COc2ccccc21 ZINC000195010533 553035882 /nfs/dbraw/zinc/03/58/82/553035882.db2.gz UUYHZUJHWZLBBJ-KOLCDFICSA-N 0 0 395.278 2.879 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2cccnn2)CC1 ZINC000195039097 553035944 /nfs/dbraw/zinc/03/59/44/553035944.db2.gz UOZUREPDNSXGEB-GFCCVEGCSA-N 0 0 381.263 2.900 10 0 GFAERN C[C@H](CNC(=O)N(C)[C@H](C)c1ccccc1Br)N1CCOCC1 ZINC000195056869 553036746 /nfs/dbraw/zinc/03/67/46/553036746.db2.gz VONLXRMHSQWWRH-ZIAGYGMSSA-N 0 0 384.318 2.872 10 0 GFAERN O=C(c1ccc(F)cc1I)N1CCN2CCCC[C@H]2C1 ZINC000195057966 553036890 /nfs/dbraw/zinc/03/68/90/553036890.db2.gz QBHFWDNXDCDDFC-LBPRGKRZSA-N 0 0 388.224 2.741 10 0 GFAERN O=C(Nc1ccc(F)cc1Br)C(=O)N[C@H]1COc2ccccc21 ZINC000195273587 553043843 /nfs/dbraw/zinc/04/38/43/553043843.db2.gz OJUAZPRZUFBCSG-ZDUSSCGKSA-N 0 0 379.185 2.777 10 0 GFAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000245888282 553098662 /nfs/dbraw/zinc/09/86/62/553098662.db2.gz DZBPCKMIWCUCQO-OLZOCXBDSA-N 0 0 382.283 2.506 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000246153402 553103307 /nfs/dbraw/zinc/10/33/07/553103307.db2.gz MTEKZTQLASAESK-ABAIWWIYSA-N 0 0 376.881 2.861 10 0 GFAERN O[C@H](COc1cccc(Br)c1)CN1CCO[C@@H](c2nccs2)C1 ZINC000246142132 553103324 /nfs/dbraw/zinc/10/33/24/553103324.db2.gz NYGAQPARPNXXJT-DZGCQCFKSA-N 0 0 399.310 2.719 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H](C(F)(F)F)NC3=O)C2)n1 ZINC000246937492 553115790 /nfs/dbraw/zinc/11/57/90/553115790.db2.gz JUIMSGKHTIHAFQ-UTUOFQBUSA-N 0 0 375.416 2.615 10 0 GFAERN C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(S(N)(=O)=O)cc1 ZINC000248274034 553128379 /nfs/dbraw/zinc/12/83/79/553128379.db2.gz XOAXMSRMFIQCPC-JTQLQIEISA-N 0 0 377.853 2.960 10 0 GFAERN Cc1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c(Br)s1 ZINC000262995116 553179838 /nfs/dbraw/zinc/17/98/38/553179838.db2.gz WCVVMRRBBWJVCA-LLVKDONJSA-N 0 0 389.315 2.830 10 0 GFAERN CCCc1ccc(Cl)c(S(=O)(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)c1 ZINC000263501018 553188732 /nfs/dbraw/zinc/18/87/32/553188732.db2.gz SWNBXWJXGBXESC-UHFFFAOYSA-N 0 0 388.917 2.508 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000263523166 553188985 /nfs/dbraw/zinc/18/89/85/553188985.db2.gz RYUGDSBIHVGHKT-KLAILNCOSA-N 0 0 381.314 2.834 10 0 GFAERN O=C(Nc1cccnc1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096269014 560054289 /nfs/dbraw/zinc/05/42/89/560054289.db2.gz JZWSPVCTJXUFPI-CQSZACIVSA-N 0 0 382.342 2.807 10 0 GFAERN O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1)c1ccccc1 ZINC000096296350 560060279 /nfs/dbraw/zinc/06/02/79/560060279.db2.gz ZZQBCTUCXJYFSD-INIZCTEOSA-N 0 0 377.400 2.608 10 0 GFAERN Cc1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc(C(C)C)n1 ZINC000301263414 563398547 /nfs/dbraw/zinc/39/85/47/563398547.db2.gz VQVXLGLESXYTBX-UHFFFAOYSA-N 0 0 380.436 2.882 10 0 GFAERN OC[C@@H]1CCCN1c1cc(NC[C@H](O)c2c(Cl)cccc2Cl)ncn1 ZINC000301339349 563400868 /nfs/dbraw/zinc/40/08/68/563400868.db2.gz HOMOSBKNEFQNGL-FZMZJTMJSA-N 0 0 383.279 2.890 10 0 GFAERN CN1CC[C@H](Nc2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)C1=O ZINC000301333389 563400997 /nfs/dbraw/zinc/40/09/97/563400997.db2.gz BFUMSRRBSWNMHT-JTQLQIEISA-N 0 0 387.654 2.835 10 0 GFAERN CS(=O)(=O)[C@H]1CCC[C@H](Nc2cnn(-c3ccccc3)c(=O)c2Cl)C1 ZINC000301382503 563402241 /nfs/dbraw/zinc/40/22/41/563402241.db2.gz ZEOFPKQWWSEIEU-JSGCOSHPSA-N 0 0 381.885 2.654 10 0 GFAERN CSc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)nn1 ZINC000301811653 563413376 /nfs/dbraw/zinc/41/33/76/563413376.db2.gz BPUQSBDXRFJGGJ-UHFFFAOYSA-N 0 0 377.901 2.613 10 0 GFAERN CNc1nc(NCc2nc3cc(OC)ccc3n2C)ncc1Br ZINC000302557722 563426988 /nfs/dbraw/zinc/42/69/88/563426988.db2.gz SKCZOQWDXXQMCD-UHFFFAOYSA-N 0 0 377.246 2.788 10 0 GFAERN CNc1nc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)ncc1Br ZINC000302761221 563429802 /nfs/dbraw/zinc/42/98/02/563429802.db2.gz YFLVVOLGUFWMGC-ZDUSSCGKSA-N 0 0 394.248 2.633 10 0 GFAERN CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1c1ncc[nH]1 ZINC000328616783 563461813 /nfs/dbraw/zinc/46/18/13/563461813.db2.gz CAGQCOWMECTBFO-CQSZACIVSA-N 0 0 389.308 2.535 10 0 GFAERN C[C@H](COCc1ccccc1)NS(=O)(=O)c1cncc(Br)c1 ZINC000390820299 563523846 /nfs/dbraw/zinc/52/38/46/563523846.db2.gz VVGXOUTXCBIANV-GFCCVEGCSA-N 0 0 385.283 2.728 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cccc(F)c1I ZINC000611154255 566118702 /nfs/dbraw/zinc/11/87/02/566118702.db2.gz DGOQZPKEOGDANT-BXKDBHETSA-N 0 0 377.197 2.711 10 0 GFAERN CC(=O)NCCCc1nc(-c2ccccc2)[nH]c(=O)c1NC(=O)c1ccccc1 ZINC000006456773 570426650 /nfs/dbraw/zinc/42/66/50/570426650.db2.gz JKZRDICYMSWUMG-UHFFFAOYSA-N 0 0 390.443 2.758 10 0 GFAERN COC(=O)[C@@](NC(=O)c1ccccc1OC)(Nc1ncccc1C)C(F)(F)F ZINC000006090739 570466165 /nfs/dbraw/zinc/46/61/65/570466165.db2.gz PHZBVKMSYCBOMI-KRWDZBQOSA-N 0 0 397.353 2.672 10 0 GFAERN C[C@@H]1CN2C=NC(N3CCN(C(=O)Nc4ccc(Cl)cc4F)CC3)=CC2=N1 ZINC000065265505 570479490 /nfs/dbraw/zinc/47/94/90/570479490.db2.gz BZTWINXIZQDGHY-GFCCVEGCSA-N 0 0 390.850 2.615 10 0 GFAERN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)NCCC(C)C)nc2C ZINC000006944056 570715886 /nfs/dbraw/zinc/71/58/86/570715886.db2.gz KRXHSLQQHAFLFQ-INIZCTEOSA-N 0 0 381.480 2.922 10 0 GFAERN c1ccc2c(c1)OC[C@@H](CCNc1nncc(-c3ccc4c(c3)OCO4)n1)O2 ZINC000012458258 570736547 /nfs/dbraw/zinc/73/65/47/570736547.db2.gz LIVMUORPFZYLLL-CQSZACIVSA-N 0 0 378.388 2.909 10 0 GFAERN COCCN(C)c1cnn([C@H]2CCCN(Cc3cccc(Cl)c3)C2)c(=O)c1 ZINC000583618328 570800420 /nfs/dbraw/zinc/80/04/20/570800420.db2.gz OHPOVNIJOARWKC-SFHVURJKSA-N 0 0 390.915 2.816 10 0 GFAERN COCCN=C1Nc2ccccc2CN[C@]12CCN(C(=O)c1ccc(C)s1)C2 ZINC000065265750 570895579 /nfs/dbraw/zinc/89/55/79/570895579.db2.gz KYLKSKNZOCWZBP-NRFANRHFSA-N 0 0 398.532 2.711 10 0 GFAERN COc1ccc(Cn2ccc3nc(C)c(C(=O)N4CCCC4)cc3c2=O)cc1 ZINC000006917058 570906424 /nfs/dbraw/zinc/90/64/24/570906424.db2.gz QYSBOLAAXXZYGK-UHFFFAOYSA-N 0 0 377.444 2.998 10 0 GFAERN O=S(=O)(/C=C\c1ccccc1)NCCCS(=O)(=O)Cc1ccccc1 ZINC000041628228 654628175 /nfs/dbraw/zinc/62/81/75/654628175.db2.gz FOWMOTCKUCOZQN-QINSGFPZSA-N 0 0 379.503 2.582 10 0 GFAERN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000041758573 654630994 /nfs/dbraw/zinc/63/09/94/654630994.db2.gz QFWGDLHXCYJUEP-JTQLQIEISA-N 0 0 379.869 2.885 10 0 GFAERN O=S(=O)(Nc1cccc(I)c1)N1CCCCCC1 ZINC000042418187 654639632 /nfs/dbraw/zinc/63/96/32/654639632.db2.gz XRLULMCXABFSHB-UHFFFAOYSA-N 0 0 380.251 2.824 10 0 GFAERN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000046496061 654681855 /nfs/dbraw/zinc/68/18/55/654681855.db2.gz IKVBUCSDCJEXIW-UONOGXRCSA-N 0 0 377.384 2.764 10 0 GFAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052004156 654732058 /nfs/dbraw/zinc/73/20/58/654732058.db2.gz MOSIPEFHIZJPCU-MNOVXSKESA-N 0 0 398.706 2.693 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000057085272 654799747 /nfs/dbraw/zinc/79/97/47/654799747.db2.gz NNRPEHURMWGFHZ-SECBINFHSA-N 0 0 393.408 2.547 10 0 GFAERN COc1ccc(S(=O)(=O)N[C@H]2COc3ccccc32)cc1Br ZINC000058507190 654818975 /nfs/dbraw/zinc/81/89/75/654818975.db2.gz VAMSBDGJIKIHRE-ZDUSSCGKSA-N 0 0 384.251 2.870 10 0 GFAERN O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000126793731 654820612 /nfs/dbraw/zinc/82/06/12/654820612.db2.gz QSPYLORACCINBT-ZDUSSCGKSA-N 0 0 381.249 2.661 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000060498653 654830693 /nfs/dbraw/zinc/83/06/93/654830693.db2.gz UWIYCCVHMKWLRD-HERUPUMHSA-N 0 0 377.384 2.599 10 0 GFAERN C[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000060498154 654830729 /nfs/dbraw/zinc/83/07/29/654830729.db2.gz AQZXUURJPPUMLV-VIFPVBQESA-N 0 0 393.408 2.547 10 0 GFAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000061632139 654841179 /nfs/dbraw/zinc/84/11/79/654841179.db2.gz UNMZUUUEUBOGCO-UWVGGRQHSA-N 0 0 399.460 2.577 10 0 GFAERN CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H](C)N1CCOCC1 ZINC000131926058 654922059 /nfs/dbraw/zinc/92/20/59/654922059.db2.gz UPABAGZSILPSDG-LSDHHAIUSA-N 0 0 383.330 2.855 10 0 GFAERN COc1cc(Br)c(S(=O)(=O)NCC(=O)C(C)C)cc1Cl ZINC000133678366 654970573 /nfs/dbraw/zinc/97/05/73/654970573.db2.gz DBQDWOGEVMTMPP-UHFFFAOYSA-N 0 0 384.679 2.615 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3cc(F)ccc3Br)CCO2)c1 ZINC000132466096 654938679 /nfs/dbraw/zinc/93/86/79/654938679.db2.gz PYCBHCGDDSDAKL-OAHLLOKOSA-N 0 0 396.260 2.563 10 0 GFAERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1c(F)cccc1Cl ZINC000132653393 654944903 /nfs/dbraw/zinc/94/49/03/654944903.db2.gz GWEBGNDMSVEQAD-GFCCVEGCSA-N 0 0 384.864 2.559 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000067950261 654950146 /nfs/dbraw/zinc/95/01/46/654950146.db2.gz ONSQJOOMGLHEBL-SECBINFHSA-N 0 0 396.690 2.676 10 0 GFAERN COCCN(CCC(=O)OC)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000071636465 655000260 /nfs/dbraw/zinc/00/02/60/655000260.db2.gz XNTBHQVTKUCFPJ-LLVKDONJSA-N 0 0 378.252 2.799 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(F)cc1Br ZINC000134691461 655001086 /nfs/dbraw/zinc/00/10/86/655001086.db2.gz LLFYWWLHURWZOS-GFCCVEGCSA-N 0 0 398.236 2.983 10 0 GFAERN CC[C@H]1CN(C(=O)c2cc(OC)c(Br)s2)CCN1CCOC ZINC000135102485 655009771 /nfs/dbraw/zinc/00/97/71/655009771.db2.gz NNOJNUAMIYCVQE-NSHDSACASA-N 0 0 391.331 2.702 10 0 GFAERN C[C@@H](OC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CCOCC1 ZINC000151562532 655052444 /nfs/dbraw/zinc/05/24/44/655052444.db2.gz AQUGGHOQCFLHEN-LLVKDONJSA-N 0 0 395.253 2.517 10 0 GFAERN CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000102801720 655061312 /nfs/dbraw/zinc/06/13/12/655061312.db2.gz MJRDTPNXDQKMJW-GFCCVEGCSA-N 0 0 386.290 2.690 10 0 GFAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCc3cc(F)ccc32)c1 ZINC000153863196 655071477 /nfs/dbraw/zinc/07/14/77/655071477.db2.gz PTSCNVFYOAVGDF-INIZCTEOSA-N 0 0 382.844 2.934 10 0 GFAERN COCCN1CCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000106109319 655102979 /nfs/dbraw/zinc/10/29/79/655102979.db2.gz GBTLLCXQPDLULM-CQSZACIVSA-N 0 0 388.339 2.604 10 0 GFAERN CCOCCN1CCN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1C ZINC000106112183 655103066 /nfs/dbraw/zinc/10/30/66/655103066.db2.gz MYRJQFQXAMZODE-LBPRGKRZSA-N 0 0 399.289 2.635 10 0 GFAERN Brc1ccc(-c2nnc(CN3CCC[C@@H](Cn4cncn4)C3)o2)o1 ZINC000106175110 655104411 /nfs/dbraw/zinc/10/44/11/655104411.db2.gz HZAOISVXVSBGCX-LLVKDONJSA-N 0 0 393.245 2.596 10 0 GFAERN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000106191504 655104721 /nfs/dbraw/zinc/10/47/21/655104721.db2.gz IUFYKLUYWGQBAA-OLZOCXBDSA-N 0 0 383.279 2.918 10 0 GFAERN COC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)C(C)C ZINC000108172301 655129068 /nfs/dbraw/zinc/12/90/68/655129068.db2.gz AVXFKDDKANGDRL-UKRRQHHQSA-N 0 0 398.301 2.525 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3ccccc3Br)CC2)cn1 ZINC000109655463 655149842 /nfs/dbraw/zinc/14/98/42/655149842.db2.gz JGECFIZBLSHECI-UHFFFAOYSA-N 0 0 377.286 2.531 10 0 GFAERN CCC1CCC(NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000171850724 655154682 /nfs/dbraw/zinc/15/46/82/655154682.db2.gz LVJDEEMJYWHMRK-UHFFFAOYSA-N 0 0 381.489 2.519 10 0 GFAERN O=C(c1[nH]c2ccccc2c1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000111085280 655164465 /nfs/dbraw/zinc/16/44/65/655164465.db2.gz JWPDOYMHIAUMBY-LBPRGKRZSA-N 0 0 389.253 2.668 10 0 GFAERN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCO[C@H](c2nccs2)C1 ZINC000111344071 655169411 /nfs/dbraw/zinc/16/94/11/655169411.db2.gz FRBFJDGGCPYOLY-LBPRGKRZSA-N 0 0 394.396 2.804 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000112036069 655181042 /nfs/dbraw/zinc/18/10/42/655181042.db2.gz BQTDLWNJUJWWHZ-GFCCVEGCSA-N 0 0 393.285 2.914 10 0 GFAERN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cnc(Br)cn1)C(C)C ZINC000174066099 655190994 /nfs/dbraw/zinc/19/09/94/655190994.db2.gz RWNUXSATPZPTAJ-HNNXBMFYSA-N 0 0 391.269 2.941 10 0 GFAERN O=C(N[C@@H]1COc2ccccc21)C(=O)N1CCc2ccc(Br)cc21 ZINC000112473685 655191574 /nfs/dbraw/zinc/19/15/74/655191574.db2.gz DEYCCMUQPOSKGC-CQSZACIVSA-N 0 0 387.233 2.588 10 0 GFAERN O=C(N[C@H]1CCc2ncnn2C1)C1(c2ccc(Br)cc2)CCCC1 ZINC000112662587 655194808 /nfs/dbraw/zinc/19/48/08/655194808.db2.gz DWVRADXNDRKWMZ-HNNXBMFYSA-N 0 0 389.297 2.984 10 0 GFAERN O=C(Cc1ccc(Br)s1)N1CCCN(c2cccnn2)CC1 ZINC000114330787 655221994 /nfs/dbraw/zinc/22/19/94/655221994.db2.gz USGAXRIWEXXSCC-UHFFFAOYSA-N 0 0 381.299 2.582 10 0 GFAERN Cn1cc([C@@H]2CCCN2CCS(=O)(=O)c2cccc(Br)c2)cn1 ZINC000175638071 655224488 /nfs/dbraw/zinc/22/44/88/655224488.db2.gz OHNWZFWCHSYIKP-INIZCTEOSA-N 0 0 398.326 2.793 10 0 GFAERN C[C@@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000175634221 655224549 /nfs/dbraw/zinc/22/45/49/655224549.db2.gz JEIYJWDHEISKHT-RHSMWYFYSA-N 0 0 383.945 2.794 10 0 GFAERN Cc1csc([C@@H](OC(=O)CSc2nnnn2C2CC2)C(F)(F)F)n1 ZINC000175990281 655231574 /nfs/dbraw/zinc/23/15/74/655231574.db2.gz AGRGJYUMYDMZIT-SECBINFHSA-N 0 0 379.389 2.712 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cncc(Br)c3)C2)n1 ZINC000116773548 655253203 /nfs/dbraw/zinc/25/32/03/655253203.db2.gz HEXKWWULKATUTB-CYBMUJFWSA-N 0 0 378.274 2.605 10 0 GFAERN CCn1ccnc1CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000176907216 655260258 /nfs/dbraw/zinc/26/02/58/655260258.db2.gz BEGGCSDIFGGNGX-STQMWFEESA-N 0 0 383.901 2.737 10 0 GFAERN Cc1cc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)sc1Br ZINC000176950142 655263485 /nfs/dbraw/zinc/26/34/85/655263485.db2.gz ATEHEKZHTMTTEH-LLVKDONJSA-N 0 0 390.328 2.869 10 0 GFAERN Cc1cnn(CCNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000118078823 655271583 /nfs/dbraw/zinc/27/15/83/655271583.db2.gz TZQIASNZRPQNLS-MRXNPFEDSA-N 0 0 393.285 2.737 10 0 GFAERN O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177546045 655280675 /nfs/dbraw/zinc/28/06/75/655280675.db2.gz AHJIAXDDHYJUHU-BXKDBHETSA-N 0 0 378.778 2.965 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C[C@H](C)O1 ZINC000177598826 655283171 /nfs/dbraw/zinc/28/31/71/655283171.db2.gz JRGZZEURURLDJH-RYUDHWBXSA-N 0 0 388.917 2.666 10 0 GFAERN COC(=O)C1(N(C)C[C@H](O)COc2cccc(Br)c2)CCCC1 ZINC000178397047 655302601 /nfs/dbraw/zinc/30/26/01/655302601.db2.gz QDJDCJCGMGAGOY-AWEZNQCLSA-N 0 0 386.286 2.606 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1ccc(Br)c(C(F)(F)F)c1)C(C)C ZINC000178680390 655308267 /nfs/dbraw/zinc/30/82/67/655308267.db2.gz ADGWBAWFWPEVDA-LLVKDONJSA-N 0 0 381.192 2.968 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3cccnc3Br)C2)n1 ZINC000119856833 655318486 /nfs/dbraw/zinc/31/84/86/655318486.db2.gz LLBMQDNYSGUPGO-CYBMUJFWSA-N 0 0 393.289 2.997 10 0 GFAERN C[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)c1ccccc1Br ZINC000120171720 655330171 /nfs/dbraw/zinc/33/01/71/655330171.db2.gz NNROKHGZBGIZMR-CHWSQXEVSA-N 0 0 393.285 2.542 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc(Br)c(C)c3)CCO2)c1 ZINC000120664316 655341700 /nfs/dbraw/zinc/34/17/00/655341700.db2.gz WQMQITRWCDZIMA-OAHLLOKOSA-N 0 0 378.270 2.804 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cccc(C)c3Br)CCO2)c1 ZINC000120663160 655341733 /nfs/dbraw/zinc/34/17/33/655341733.db2.gz LRSXMNCBGPBFAQ-AWEZNQCLSA-N 0 0 378.270 2.804 10 0 GFAERN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000182181863 655342823 /nfs/dbraw/zinc/34/28/23/655342823.db2.gz IDTIGIZIPJLHJG-NOZJJQNGSA-N 0 0 380.388 2.918 10 0 GFAERN Cc1noc([C@H](C)N2CCN(Cn3nc(C(F)(F)F)sc3=S)CC2)n1 ZINC000188681131 655381391 /nfs/dbraw/zinc/38/13/91/655381391.db2.gz XXSVHKMSNMZVIN-QMMMGPOBSA-N 0 0 394.448 2.721 10 0 GFAERN CCOC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000190784561 655394791 /nfs/dbraw/zinc/39/47/91/655394791.db2.gz KMPUUIKEVBTPEP-QMMMGPOBSA-N 0 0 379.150 2.781 10 0 GFAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC1CCOCC1 ZINC000195012513 655418585 /nfs/dbraw/zinc/41/85/85/655418585.db2.gz MPSFKZMAXUZNQT-UHFFFAOYSA-N 0 0 398.706 2.816 10 0 GFAERN Cc1csc([C@@H]2CN(Cn3nnn(Cc4cccs4)c3=S)CCO2)n1 ZINC000195295086 655419731 /nfs/dbraw/zinc/41/97/31/655419731.db2.gz JIMJWSOIRUTIAV-ZDUSSCGKSA-N 0 0 394.551 2.715 10 0 GFAERN Cn1cc([C@H]2CCN(S(=O)(=O)/C=C\c3cccc(Br)c3)C2)cn1 ZINC000255437129 655439046 /nfs/dbraw/zinc/43/90/46/655439046.db2.gz QWASKBHFPJMHQV-QPBFKRLHSA-N 0 0 396.310 2.973 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000702795045 655521856 /nfs/dbraw/zinc/52/18/56/655521856.db2.gz KTXRAQNBUBJNFY-QGSKFPASSA-N 0 0 386.901 2.759 10 0 GFAERN Cc1ccnc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1Br ZINC000702859604 655521903 /nfs/dbraw/zinc/52/19/03/655521903.db2.gz PSWIAFJOPPTKMF-NWDGAFQWSA-N 0 0 386.290 2.792 10 0 GFAERN O=S(=O)(/C=C\c1ccc(Br)cc1)NC[C@H]1CCn2ccnc2C1 ZINC000779882353 656954741 /nfs/dbraw/zinc/95/47/41/656954741.db2.gz WTLHTYNCMHHUNX-APFBBLRHSA-N 0 0 396.310 2.798 10 0 GFAERN C[C@@H]1CC(CNC(=O)c2nscc2I)C[C@@H](C)O1 ZINC000907972708 664074740 /nfs/dbraw/zinc/07/47/40/664074740.db2.gz CKUJKCNKZZHOOU-HTQZYQBOSA-N 0 0 380.251 2.681 10 0 GFAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000016047176 210184106 /nfs/dbraw/zinc/18/41/06/210184106.db2.gz WUZLDZBOVZKGBY-GNSPCKGOSA-N 0 0 396.491 2.714 10 0 GFAERN CC1(C)C(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@H](OCC3CC3)C2)C1(C)C ZINC000014530520 210119489 /nfs/dbraw/zinc/11/94/89/210119489.db2.gz LJFMEWFBMZSXHQ-SFHVURJKSA-N 0 0 399.535 2.730 10 0 GFAERN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NC3CCCCCC3)cc2)C1=O ZINC000012022507 209898747 /nfs/dbraw/zinc/89/87/47/209898747.db2.gz CHAXMJBYTMYUNS-UHFFFAOYSA-N 0 0 378.494 2.842 10 0 GFAERN Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)NC3CCCCC3)cc2s1 ZINC000006752154 209680212 /nfs/dbraw/zinc/68/02/12/209680212.db2.gz WNLWXTYUZQUFKJ-UHFFFAOYSA-N 0 0 381.523 2.674 10 0 GFAERN Cc1cn(CCCCCOc2c3occc3cc3ccc(=O)oc32)c(=O)[nH]c1=O ZINC000006072009 209233248 /nfs/dbraw/zinc/23/32/48/209233248.db2.gz PRFRBCAMTVUDJA-UHFFFAOYSA-N 0 0 396.399 2.947 10 0 GFAERN O=C([O-])c1cn(C2CC2)c2c(F)c(N3C[C@@H]4[NH2+]CCC[C@H]4C3)c(F)cc2c1=O ZINC000003775267 209228328 /nfs/dbraw/zinc/22/83/28/209228328.db2.gz WEXQOLCYKFJAJZ-BONVTDFDSA-N 0 0 389.402 2.501 10 0 GFAERN COC(=O)c1ccccc1N(CC(=O)c1ccc(Cl)cc1)S(C)(=O)=O ZINC000057486370 212060155 /nfs/dbraw/zinc/06/01/55/212060155.db2.gz ZCOFSFFRFICYGP-UHFFFAOYSA-N 0 0 381.837 2.776 10 0 GFAERN O=C(CN1c2ccc(F)cc2C(=O)N2CCC[C@@H]2C1=O)Nc1cccc(F)c1 ZINC000065306837 211954260 /nfs/dbraw/zinc/95/42/60/211954260.db2.gz MWLKVTFLHJMXDB-QGZVFWFLSA-N 0 0 385.370 2.555 10 0 GFAERN COc1ccc(S(=O)(=O)C2CCN(C(=O)/C=C\c3ccco3)CC2)cc1 ZINC000101322932 211398653 /nfs/dbraw/zinc/39/86/53/211398653.db2.gz GHZXGUKSJSQFHY-TWGQIWQCSA-N 0 0 375.446 2.766 10 0 GFAERN Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@H]4C2=O)cc1 ZINC000096286738 211331218 /nfs/dbraw/zinc/33/12/18/211331218.db2.gz YECNWLQNURTIIE-XARGGIHNSA-N 0 0 388.467 2.593 10 0 GFAERN O=C(c1cccc(Cl)c1)N1CCO[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC000096281220 211330140 /nfs/dbraw/zinc/33/01/40/211330140.db2.gz QZCSQSMBMRCCKD-MRXNPFEDSA-N 0 0 375.808 2.989 10 0 GFAERN CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2cc(Cl)ncn2)CC1 ZINC000095084200 211219011 /nfs/dbraw/zinc/21/90/11/211219011.db2.gz OQUJPQWOUCOMGW-UHFFFAOYSA-N 0 0 375.878 2.551 10 0 GFAERN Cc1c([C@@H](C)NC(=O)CCc2[nH]nc3c2CCCC3)cnn1-c1ccccn1 ZINC000091587095 211197531 /nfs/dbraw/zinc/19/75/31/211197531.db2.gz VXHSGPNPCTWIEJ-CQSZACIVSA-N 0 0 378.480 2.988 10 0 GFAERN CCCC(CCC)N1Cc2c(cc(NS(C)(=O)=O)cc2C(=O)OC)C1=O ZINC000089211144 211179525 /nfs/dbraw/zinc/17/95/25/211179525.db2.gz RDQPNCLGBFLBDN-UHFFFAOYSA-N 0 0 382.482 2.769 10 0 GFAERN O=C(COc1ccc(CN2CCO[C@@H](C(F)(F)F)C2)cc1)N1CCCCC1 ZINC000071771620 211061659 /nfs/dbraw/zinc/06/16/59/211061659.db2.gz SOMOGVFXJBUXPG-QGZVFWFLSA-N 0 0 386.414 2.841 10 0 GFAERN CCOC(=O)[C@@H](CC(C)C)N[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O ZINC000041104819 210799087 /nfs/dbraw/zinc/79/90/87/210799087.db2.gz NRRVVWXWMFPPSD-IAGOWNOFSA-N 0 0 391.512 2.597 10 0 GFAERN Cc1ccc(NC(=O)c2ccc(-n3nc(N4CCCC4)ccc3=O)cc2)nc1 ZINC000033283134 210638897 /nfs/dbraw/zinc/63/88/97/210638897.db2.gz URLYPTYGKXTYST-UHFFFAOYSA-N 0 0 375.432 2.788 10 0 GFAERN COc1ccccc1OC[C@@H]1CN(C(=O)Cc2c(F)cccc2F)CCO1 ZINC000022347498 210411517 /nfs/dbraw/zinc/41/15/17/210411517.db2.gz MSAPMKZLXNHSRT-AWEZNQCLSA-N 0 0 377.387 2.822 10 0 GFAERN O=C(Nc1cc(F)ccc1F)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000021527156 210384152 /nfs/dbraw/zinc/38/41/52/210384152.db2.gz VUYZOJHJKKNJEZ-GOSISDBHSA-N 0 0 399.397 2.550 10 0 GFAERN Cc1csc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cc2)n1 ZINC000020370357 210330747 /nfs/dbraw/zinc/33/07/47/210330747.db2.gz RKNVFIMXEGRQIZ-CQSZACIVSA-N 0 0 386.477 2.899 10 0 GFAERN COC(=O)[C@]1([S@](=O)Oc2ccc(C)cc2)CCCN1C(=O)OC(C)(C)C ZINC000504747671 533634763 /nfs/dbraw/zinc/63/47/63/533634763.db2.gz JZXUYJZLKVLAES-WXTAPIANSA-N 0 0 383.466 2.938 10 0 GFAERN CCCCOc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1 ZINC000224177842 136206445 /nfs/dbraw/zinc/20/64/45/136206445.db2.gz HVKPTVXOUPLNKZ-UHFFFAOYSA-N 0 0 384.480 2.731 10 0 GFAERN O=C([O-])[C@H]1CCC[N@H+](Cc2nnn(-c3ccc(F)cc3)c2-c2ccncc2)C1 ZINC000057345180 526322360 /nfs/dbraw/zinc/32/23/60/526322360.db2.gz GBLFMHUZBWAWDT-HNNXBMFYSA-N 0 0 381.411 2.765 10 0 GFAERN CCOC(=O)c1cn2cc(Br)cc(I)c2n1 ZINC000309153903 528284591 /nfs/dbraw/zinc/28/45/91/528284591.db2.gz MQRIXJJMGWWFSE-UHFFFAOYSA-N 0 0 394.994 2.878 10 0 GFAERN CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCCO3)C2)ncn1 ZINC000065244831 535192562 /nfs/dbraw/zinc/19/25/62/535192562.db2.gz VWSXKTFJCNEDFF-IRXDYDNUSA-N 0 0 375.517 2.590 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)CCc2cccc(Br)c2)n1 ZINC000121012493 551225177 /nfs/dbraw/zinc/22/51/77/551225177.db2.gz FEBHYZHRFSLRFU-AWEZNQCLSA-N 0 0 380.242 2.673 10 0 GFAERN C[C@@H]1CN([C@@H](CNC(=O)CSCC(F)(F)F)c2cccs2)CCO1 ZINC000121188306 551229006 /nfs/dbraw/zinc/22/90/06/551229006.db2.gz MOSQLVITBZYYMB-NEPJUHHUSA-N 0 0 382.473 2.922 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000121227119 551230008 /nfs/dbraw/zinc/23/00/08/551230008.db2.gz OZSZPPRDMLBPNR-LLVKDONJSA-N 0 0 392.315 2.941 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000121459461 551234628 /nfs/dbraw/zinc/23/46/28/551234628.db2.gz SZYAADQYOYSDGH-GFCCVEGCSA-N 0 0 386.880 2.967 10 0 GFAERN O=S(=O)(c1ccc(F)cc1Br)N1CCC(c2cc[nH]n2)CC1 ZINC000122476263 551298304 /nfs/dbraw/zinc/29/83/04/551298304.db2.gz VZFSWYAQGISCQT-UHFFFAOYSA-N 0 0 388.262 2.880 10 0 GFAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123116323 551303096 /nfs/dbraw/zinc/30/30/96/551303096.db2.gz PLAZCFOYUDEWPE-GTNSWQLSSA-N 0 0 399.260 2.680 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(OC)c(Br)s1 ZINC000125260719 551321286 /nfs/dbraw/zinc/32/12/86/551321286.db2.gz DSSPSEAFMGVSGU-MRVPVSSYSA-N 0 0 385.287 2.938 10 0 GFAERN COC(=O)[C@H](NS(=O)(=O)c1cc(C)ccc1Br)c1ccccc1 ZINC000126970030 551335283 /nfs/dbraw/zinc/33/52/83/551335283.db2.gz BQVITNDYCYIMAH-OAHLLOKOSA-N 0 0 398.278 2.950 10 0 GFAERN CC[S@@](=O)c1ccccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000127451326 551341167 /nfs/dbraw/zinc/34/11/67/551341167.db2.gz LIMVAJFBZRYARO-OZAJXLCCSA-N 0 0 379.503 2.709 10 0 GFAERN Cc1ccc(Cl)c(S(=O)(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000127574770 551341835 /nfs/dbraw/zinc/34/18/35/551341835.db2.gz AXAVTPFXNLJIOW-AWEZNQCLSA-N 0 0 380.901 2.728 10 0 GFAERN Cc1ccc(Br)c(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000129231691 551355124 /nfs/dbraw/zinc/35/51/24/551355124.db2.gz OLYFUZBCIBFPBP-CJNGLKHVSA-N 0 0 382.302 2.942 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000130653261 551367706 /nfs/dbraw/zinc/36/77/06/551367706.db2.gz LBJDFVZZWXFFJC-JKSUJKDBSA-N 0 0 385.913 2.846 10 0 GFAERN Cc1nc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC000142510751 551394727 /nfs/dbraw/zinc/39/47/27/551394727.db2.gz YRYPEBPJSYCXSF-UHFFFAOYSA-N 0 0 383.267 2.737 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1cccc(Br)c1)CC2 ZINC000150711924 551400137 /nfs/dbraw/zinc/40/01/37/551400137.db2.gz YOEGASWBPUBUPJ-CQSZACIVSA-N 0 0 377.286 2.838 10 0 GFAERN O=C(Cc1cccc(I)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151445921 551413686 /nfs/dbraw/zinc/41/36/86/551413686.db2.gz VAGKIIIUQTXQSV-RHSMWYFYSA-N 0 0 399.272 2.987 10 0 GFAERN COC(=O)CCCS(=O)(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000152624935 551437112 /nfs/dbraw/zinc/43/71/12/551437112.db2.gz LMPPNTUTCAQXFH-GXFFZTMASA-N 0 0 380.293 2.970 10 0 GFAERN COc1cc(OC)c(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1Br ZINC000152943214 551443258 /nfs/dbraw/zinc/44/32/58/551443258.db2.gz BLVULZKGVHUYIN-SECBINFHSA-N 0 0 397.225 2.816 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000154541959 551477504 /nfs/dbraw/zinc/47/75/04/551477504.db2.gz BQOHUZUCKGXZBH-CJNGLKHVSA-N 0 0 395.276 2.784 10 0 GFAERN CCC[C@H](NC(=O)c1cc(I)c[nH]1)C(=O)OC(C)(C)C ZINC000155391020 551499034 /nfs/dbraw/zinc/49/90/34/551499034.db2.gz YDMMZVQUYPOMJR-JTQLQIEISA-N 0 0 392.237 2.860 10 0 GFAERN COc1cc(CNC(=O)N[C@@H](C)[C@H]2CCCO2)cc(Br)c1OC ZINC000157215524 551534723 /nfs/dbraw/zinc/53/47/23/551534723.db2.gz UOBXELNBOWRYHL-GXFFZTMASA-N 0 0 387.274 2.833 10 0 GFAERN O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@H]1CCCC[C@@H]1CO ZINC000157205536 551534809 /nfs/dbraw/zinc/53/48/09/551534809.db2.gz YHBZASMRRBEPLN-YPMHNXCESA-N 0 0 380.897 2.952 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1ccccc1Br)CC2 ZINC000158036618 551546185 /nfs/dbraw/zinc/54/61/85/551546185.db2.gz XFCLDGYVAOTANR-ZDUSSCGKSA-N 0 0 392.301 2.978 10 0 GFAERN COc1cc(Br)c(S(=O)(=O)N[C@H]2CCCC[C@H]2O)cc1Cl ZINC000158512947 551552738 /nfs/dbraw/zinc/55/27/38/551552738.db2.gz KZWMZMSQDGFOAL-WDEREUQCSA-N 0 0 398.706 2.693 10 0 GFAERN O=S(=O)(c1cccc(F)c1F)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158591378 551553715 /nfs/dbraw/zinc/55/37/15/551553715.db2.gz XQDBDOLBZHOXAT-QMTHXVAHSA-N 0 0 375.343 2.740 10 0 GFAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)no1 ZINC000158867355 551558029 /nfs/dbraw/zinc/55/80/29/551558029.db2.gz RJJANYUQMJMUTA-JTQLQIEISA-N 0 0 391.280 2.723 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cc(OC)ccc1Br ZINC000159207804 551562000 /nfs/dbraw/zinc/56/20/00/551562000.db2.gz YXNRKPGJTYGREZ-CQSZACIVSA-N 0 0 393.285 2.805 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1c[nH]c3cccc(Br)c13)CC2 ZINC000159251674 551562484 /nfs/dbraw/zinc/56/24/84/551562484.db2.gz ALKXFTGWENPTPH-SNVBAGLBSA-N 0 0 388.269 2.829 10 0 GFAERN O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCCN(c2cccnn2)CC1 ZINC000163516257 551620897 /nfs/dbraw/zinc/62/08/97/551620897.db2.gz LGTUYVCPLVEMQA-INIZCTEOSA-N 0 0 381.263 2.556 10 0 GFAERN C[C@H](NC(=O)NCc1cc(Br)cs1)c1nnc2n1CCCC2 ZINC000163635806 551621191 /nfs/dbraw/zinc/62/11/91/551621191.db2.gz NUGAWTNGXVZAIC-VIFPVBQESA-N 0 0 384.303 2.999 10 0 GFAERN C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCCn2ncnc21 ZINC000164776609 551626986 /nfs/dbraw/zinc/62/69/86/551626986.db2.gz VEFVORQGYARABR-BXUZGUMPSA-N 0 0 378.274 2.882 10 0 GFAERN C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCCn2ncnc21 ZINC000164776492 551627236 /nfs/dbraw/zinc/62/72/36/551627236.db2.gz VEFVORQGYARABR-SMDDNHRTSA-N 0 0 378.274 2.882 10 0 GFAERN COC(=O)C[C@H](NC(=O)Cc1c(C)n[nH]c1C)c1cccc(Br)c1 ZINC000170880111 551642303 /nfs/dbraw/zinc/64/23/03/551642303.db2.gz XBXICLOZQNKUFP-HNNXBMFYSA-N 0 0 394.269 2.752 10 0 GFAERN CC(C)n1nnnc1CS(=O)(=O)Cc1csc(-c2ccccc2F)n1 ZINC000171063874 551645816 /nfs/dbraw/zinc/64/58/16/551645816.db2.gz NRPMXBSZVGFDSO-UHFFFAOYSA-N 0 0 381.458 2.632 10 0 GFAERN C[C@@H]1CN(C(=O)COc2ccc(I)cc2)CCS1 ZINC000171581939 551658541 /nfs/dbraw/zinc/65/85/41/551658541.db2.gz OWDOHNOPRWGHPG-SNVBAGLBSA-N 0 0 377.247 2.634 10 0 GFAERN C[C@@H]1CN(CC(=O)Nc2cccc(I)c2)CCS1 ZINC000171701974 551661535 /nfs/dbraw/zinc/66/15/35/551661535.db2.gz PYRZIKZHOCPODO-SNVBAGLBSA-N 0 0 376.263 2.667 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)CCc3ccccc3)CC2)cs1 ZINC000172067888 551669623 /nfs/dbraw/zinc/66/96/23/551669623.db2.gz PVLWLQVXIZQVCM-UHFFFAOYSA-N 0 0 379.551 2.532 10 0 GFAERN CCn1cc(Br)cc1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000172418124 551679054 /nfs/dbraw/zinc/67/90/54/551679054.db2.gz GNOLWFKOXVASHG-LBPRGKRZSA-N 0 0 380.290 2.730 10 0 GFAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000172559727 551682046 /nfs/dbraw/zinc/68/20/46/551682046.db2.gz KPVWFTHWPVKFCM-HOTGVXAUSA-N 0 0 378.519 2.939 10 0 GFAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000173025368 551692850 /nfs/dbraw/zinc/69/28/50/551692850.db2.gz LIYFFXRBLZZGLC-XPTSAGLGSA-N 0 0 384.267 2.820 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3cc4ccc(Br)cc4[nH]3)CCO2)[nH]1 ZINC000173087558 551695505 /nfs/dbraw/zinc/69/55/05/551695505.db2.gz DXYVAIUBYJTTDE-AWEZNQCLSA-N 0 0 390.241 2.571 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)COc3cc(Cl)cc(Cl)c3)CCO2)c1 ZINC000173354274 552083703 /nfs/dbraw/zinc/08/37/03/552083703.db2.gz SDRLWIYQUNMWKO-MRXNPFEDSA-N 0 0 384.263 2.805 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3cccc(Br)c3C)CCO2)[nH]1 ZINC000173577927 552088157 /nfs/dbraw/zinc/08/81/57/552088157.db2.gz TZWSEVDUZYGGPB-CYBMUJFWSA-N 0 0 379.258 2.652 10 0 GFAERN C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@@H]1N1CCOCC1 ZINC000173817995 552092685 /nfs/dbraw/zinc/09/26/85/552092685.db2.gz BJCOIVUAPXBUQO-YOEHRIQHSA-N 0 0 393.325 2.660 10 0 GFAERN C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H]1N1CCOCC1 ZINC000173839561 552093508 /nfs/dbraw/zinc/09/35/08/552093508.db2.gz VKRUVBDDXKABFF-WMLDXEAASA-N 0 0 393.325 2.660 10 0 GFAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c(=O)c(Br)c2)C12CCCC2 ZINC000173893394 552095393 /nfs/dbraw/zinc/09/53/93/552095393.db2.gz NUTHRSBJVUVABC-UONOGXRCSA-N 0 0 383.286 2.947 10 0 GFAERN CCc1cnc(CCNC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000174159874 552100540 /nfs/dbraw/zinc/10/05/40/552100540.db2.gz VTGMYKIOVLAAHO-GFCCVEGCSA-N 0 0 381.523 2.712 10 0 GFAERN C[C@@H](CNC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)Cc1cccs1 ZINC000174541842 552106365 /nfs/dbraw/zinc/10/63/65/552106365.db2.gz QARNPKCQAZTMOY-CHWSQXEVSA-N 0 0 381.523 2.635 10 0 GFAERN CSCC[C@H](NC(=O)CSc1n[nH]c(C)n1)c1nc2ccccc2[nH]1 ZINC000174686412 552108840 /nfs/dbraw/zinc/10/88/40/552108840.db2.gz OAYAQMKSONQJBF-ZDUSSCGKSA-N 0 0 376.511 2.692 10 0 GFAERN Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2)N2CCOCC2)s1 ZINC000175219103 552117988 /nfs/dbraw/zinc/11/79/88/552117988.db2.gz FPALXWUVAQHXPQ-MRXNPFEDSA-N 0 0 384.498 2.547 10 0 GFAERN CS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000176219816 552136503 /nfs/dbraw/zinc/13/65/03/552136503.db2.gz XFESSBJRGUXOOT-OAHLLOKOSA-N 0 0 379.507 2.983 10 0 GFAERN CNS(=O)(=O)c1csc(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)c1 ZINC000176431212 552140378 /nfs/dbraw/zinc/14/03/78/552140378.db2.gz MGHZCZQBEGUSTN-QMMMGPOBSA-N 0 0 376.862 2.940 10 0 GFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000177242980 552152085 /nfs/dbraw/zinc/15/20/85/552152085.db2.gz TYCBSZAIGMPOMY-SNVBAGLBSA-N 0 0 380.293 2.702 10 0 GFAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000177612138 552155889 /nfs/dbraw/zinc/15/58/89/552155889.db2.gz CZAMZJZBCZRASJ-UHFFFAOYSA-N 0 0 387.893 2.636 10 0 GFAERN CNC(=O)[C@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)C(C)C ZINC000178852768 552176859 /nfs/dbraw/zinc/17/68/59/552176859.db2.gz IYYAZAHNYVMHPS-QGZVFWFLSA-N 0 0 379.913 2.817 10 0 GFAERN CCn1ccnc1CS(=O)(=O)Cc1ccc(I)cc1 ZINC000180625569 552231769 /nfs/dbraw/zinc/23/17/69/552231769.db2.gz RKCWGPTUNGJRHY-UHFFFAOYSA-N 0 0 390.246 2.623 10 0 GFAERN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000180957169 552241239 /nfs/dbraw/zinc/24/12/39/552241239.db2.gz RIAVMOYBBYHKHY-PSQXESDUSA-N 0 0 377.243 2.585 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCc1cccc(Br)c1)CC2 ZINC000181533417 552259855 /nfs/dbraw/zinc/25/98/55/552259855.db2.gz LAIPUAUXWWUMKB-AWEZNQCLSA-N 0 0 392.301 2.978 10 0 GFAERN COC(=O)c1cc(NC(=O)NCCn2cc(C)cn2)ccc1Br ZINC000182575259 552287586 /nfs/dbraw/zinc/28/75/86/552287586.db2.gz AUQRSMFHEALCNW-UHFFFAOYSA-N 0 0 381.230 2.562 10 0 GFAERN COc1ccc(C(=O)N2CCO[C@H](c3nccs3)C2)nc1Br ZINC000183088053 552299845 /nfs/dbraw/zinc/29/98/45/552299845.db2.gz JAPIYBHUAHNEAI-NSHDSACASA-N 0 0 384.255 2.523 10 0 GFAERN C[C@@H]1CN(C(=O)c2cccc(Br)c2Cl)C[C@@H]1N1CCOCC1 ZINC000184077432 552326906 /nfs/dbraw/zinc/32/69/06/552326906.db2.gz NJLXHBSYVWGDDN-RISCZKNCSA-N 0 0 387.705 2.895 10 0 GFAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000184765641 552344138 /nfs/dbraw/zinc/34/41/38/552344138.db2.gz OJBPTXWHGKAXRR-SECBINFHSA-N 0 0 388.276 2.788 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)c2ccc(Br)c(O)c2)C12CCOCC2 ZINC000186453528 552388064 /nfs/dbraw/zinc/38/80/64/552388064.db2.gz XYJDNLVXDWIPNL-LSDHHAIUSA-N 0 0 384.270 2.859 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cc(Br)c(C)nc2OC)C1 ZINC000186442083 552388184 /nfs/dbraw/zinc/38/81/84/552388184.db2.gz YFAXBGRBTUASSL-LBPRGKRZSA-N 0 0 398.301 2.682 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(C)nc2Br)C12CCOCC2 ZINC000187146815 552407526 /nfs/dbraw/zinc/40/75/26/552407526.db2.gz NWEBCCZWMKJKGK-KGLIPLIRSA-N 0 0 383.286 2.857 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1csc(I)c1 ZINC000187636975 552420658 /nfs/dbraw/zinc/42/06/58/552420658.db2.gz RASRWEAUFFCJNR-GFCCVEGCSA-N 0 0 379.219 2.520 10 0 GFAERN C[C@@H](Nc1cccc(S(=O)(=O)N2CCC(O)CC2)c1)C1CCSCC1 ZINC000188097979 552434647 /nfs/dbraw/zinc/43/46/47/552434647.db2.gz AZIRWELZDJHGFF-CQSZACIVSA-N 0 0 384.567 2.776 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(F)cc1Br)CC2 ZINC000188206361 552439263 /nfs/dbraw/zinc/43/92/63/552439263.db2.gz ASYIFVLWVCZOQU-ZDUSSCGKSA-N 0 0 395.276 2.977 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccc(C)c(Br)c3)CCO2)[nH]1 ZINC000188200265 552439319 /nfs/dbraw/zinc/43/93/19/552439319.db2.gz OUVUXAXMWVZSMT-AWEZNQCLSA-N 0 0 393.285 2.581 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)c2cc(Br)c(C)[nH]c2=O)C12CCOCC2 ZINC000188268075 552440786 /nfs/dbraw/zinc/44/07/86/552440786.db2.gz WKZBXVZOBZGLLB-KGLIPLIRSA-N 0 0 399.285 2.562 10 0 GFAERN CN(C(=O)Nc1cccc(Br)n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000188573959 552448781 /nfs/dbraw/zinc/44/87/81/552448781.db2.gz MQCNHXTWOCDWLQ-GFCCVEGCSA-N 0 0 391.273 2.767 10 0 GFAERN CCOc1ccc(NC(=O)C(=O)N2CCS[C@H](C)C2)cc1Br ZINC000188674412 552451678 /nfs/dbraw/zinc/45/16/78/552451678.db2.gz LAXSGJADYRPSTG-SNVBAGLBSA-N 0 0 387.299 2.750 10 0 GFAERN COc1cc(C)c(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1C ZINC000188878865 552457591 /nfs/dbraw/zinc/45/75/91/552457591.db2.gz BKOVMLSGJDSKNW-HOTGVXAUSA-N 0 0 381.519 2.770 10 0 GFAERN O=C(c1cc(Br)ncc1Cl)N1CCC[C@H](Cn2cncn2)C1 ZINC000188880410 552457603 /nfs/dbraw/zinc/45/76/03/552457603.db2.gz XRVJUJVAKCFYPH-JTQLQIEISA-N 0 0 384.665 2.641 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(Br)cc(Br)c1 ZINC000188929845 552459205 /nfs/dbraw/zinc/45/92/05/552459205.db2.gz BZKFPGBEUCNZTC-MRVPVSSYSA-N 0 0 390.075 2.562 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000189242214 552466666 /nfs/dbraw/zinc/46/66/66/552466666.db2.gz OPWPOCHQMGLUJC-GFCCVEGCSA-N 0 0 375.519 2.679 10 0 GFAERN CC(=O)NC1CN(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000190291124 552491832 /nfs/dbraw/zinc/49/18/32/552491832.db2.gz DMRXJUKZTYORJL-UHFFFAOYSA-N 0 0 378.885 2.536 10 0 GFAERN CCn1cc([C@@H]2CN(C[C@H](O)c3cccc(Br)c3)CCO2)cn1 ZINC000190763261 552508495 /nfs/dbraw/zinc/50/84/95/552508495.db2.gz POJRVNFYLQUWBS-IRXDYDNUSA-N 0 0 380.286 2.772 10 0 GFAERN Cc1csc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)c1Br ZINC000190929470 552514090 /nfs/dbraw/zinc/51/40/90/552514090.db2.gz FCZOGFMTMRIMRG-UHFFFAOYSA-N 0 0 399.314 2.859 10 0 GFAERN C[C@H](NC(=O)CCOCC(F)(F)C(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000191448320 552528853 /nfs/dbraw/zinc/52/88/53/552528853.db2.gz ZCTCHDWDOWPCLU-JTQLQIEISA-N 0 0 385.379 2.574 10 0 GFAERN O=C(c1csc(Cl)c1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000191693248 552534791 /nfs/dbraw/zinc/53/47/91/552534791.db2.gz LJDFTJMEZNDJNN-OAHLLOKOSA-N 0 0 380.897 2.599 10 0 GFAERN Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(F)c1 ZINC000192008273 552545511 /nfs/dbraw/zinc/54/55/11/552545511.db2.gz ARIYCGHUXFCEGQ-ZDUSSCGKSA-N 0 0 385.482 2.718 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(Cl)c(Br)c1 ZINC000192223926 552556568 /nfs/dbraw/zinc/55/65/68/552556568.db2.gz QPSRNLDCPASGIA-NSHDSACASA-N 0 0 391.678 2.507 10 0 GFAERN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000192470660 552565278 /nfs/dbraw/zinc/56/52/78/552565278.db2.gz QWLQLBVOCKXDTL-STQMWFEESA-N 0 0 381.259 2.903 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000192924881 552978395 /nfs/dbraw/zinc/97/83/95/552978395.db2.gz QTTGLQKYVZNMNV-JTQLQIEISA-N 0 0 377.363 2.601 10 0 GFAERN CCCCOC[C@@H](O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000193367266 552991194 /nfs/dbraw/zinc/99/11/94/552991194.db2.gz BLNSGWCXXPRRGS-AWEZNQCLSA-N 0 0 391.375 2.806 10 0 GFAERN CCCCOC[C@@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000193370020 552991534 /nfs/dbraw/zinc/99/15/34/552991534.db2.gz KXLGPBHANLJDIR-KRWDZBQOSA-N 0 0 389.323 2.929 10 0 GFAERN CCCCOC[C@H](O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000193372659 552991713 /nfs/dbraw/zinc/99/17/13/552991713.db2.gz OOGABEQPEOWEJV-CQSZACIVSA-N 0 0 389.323 2.929 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000194468889 553021553 /nfs/dbraw/zinc/02/15/53/553021553.db2.gz UOHQAQUSEDSABY-SKDZVZGDSA-N 0 0 380.282 2.906 10 0 GFAERN O=C(NC1CCSCC1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000194790681 553029655 /nfs/dbraw/zinc/02/96/55/553029655.db2.gz NJUCSLAGQDFDGU-INIZCTEOSA-N 0 0 375.519 2.695 10 0 GFAERN CN(CC(=O)N[C@H]1COc2ccccc21)C(=O)c1ccc(Br)s1 ZINC000194854541 553031638 /nfs/dbraw/zinc/03/16/38/553031638.db2.gz WNGILAJJRAPIKK-NSHDSACASA-N 0 0 395.278 2.833 10 0 GFAERN Cc1nc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)sc1Br ZINC000246308282 553105719 /nfs/dbraw/zinc/10/57/19/553105719.db2.gz MBGLWDLIWGLTHY-NXEZZACHSA-N 0 0 381.317 2.546 10 0 GFAERN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247671315 553124741 /nfs/dbraw/zinc/12/47/41/553124741.db2.gz PWAIMXKZAGZFLT-IXDOHACOSA-N 0 0 390.281 2.677 10 0 GFAERN CN1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248543516 553130574 /nfs/dbraw/zinc/13/05/74/553130574.db2.gz CMJRMBOVHJEZPB-UNEWFSDZSA-N 0 0 387.307 2.908 10 0 GFAERN Cc1csc([C@@H]2CN([C@H](C)C(=O)N3CCc4sccc4C3)CCO2)n1 ZINC000249906658 553146940 /nfs/dbraw/zinc/14/69/40/553146940.db2.gz VBIVXGFANJCRMX-HIFRSBDPSA-N 0 0 377.535 2.860 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2csc(Br)c2)CC1 ZINC000262865230 553177264 /nfs/dbraw/zinc/17/72/64/553177264.db2.gz BYERLJNWQWTTQI-LLVKDONJSA-N 0 0 375.288 2.522 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000262959436 553179662 /nfs/dbraw/zinc/17/96/62/553179662.db2.gz JXWDQYIOPJRSFR-NSHDSACASA-N 0 0 395.308 2.553 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000263012957 553180642 /nfs/dbraw/zinc/18/06/42/553180642.db2.gz HXGPMAHDALKSOE-UHFFFAOYSA-N 0 0 388.237 2.647 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Cc2cccc(Cl)c2Cl)C1 ZINC000263460938 553188190 /nfs/dbraw/zinc/18/81/90/553188190.db2.gz VRBXEOBSDMRWHG-UHFFFAOYSA-N 0 0 385.291 2.980 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(c2noc3ccc(Br)cc32)CC1 ZINC000263546108 553189176 /nfs/dbraw/zinc/18/91/76/553189176.db2.gz HAZHNUXCAXMEDZ-GFCCVEGCSA-N 0 0 382.258 2.966 10 0 GFAERN Cc1ccc(-c2cn3c(n2)CO[C@@H](CNS(=O)(=O)c2cccs2)C3)cc1 ZINC000096269267 560054290 /nfs/dbraw/zinc/05/42/90/560054290.db2.gz PWVXTTPCNUFGLJ-HNNXBMFYSA-N 0 0 389.502 2.797 10 0 GFAERN C[C@H](Nc1cnn(C)c(=O)c1Br)c1cnn(Cc2ccccc2)c1 ZINC000301819056 563413150 /nfs/dbraw/zinc/41/31/50/563413150.db2.gz FVDZJXLURSADLF-LBPRGKRZSA-N 0 0 388.269 2.961 10 0 GFAERN O=C1[C@H](Nc2nn3c(nccc3=O)s2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000302060307 563419545 /nfs/dbraw/zinc/41/95/45/563419545.db2.gz RSBSWIMOCDFNAV-LLVKDONJSA-N 0 0 396.259 2.675 10 0 GFAERN O=C1[C@@H](Nc2nn3c(nccc3=O)s2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000302060308 563419865 /nfs/dbraw/zinc/41/98/65/563419865.db2.gz RSBSWIMOCDFNAV-NSHDSACASA-N 0 0 396.259 2.675 10 0 GFAERN CCS(=O)(=O)N1CC(CNc2ccc3cc(Br)ccc3n2)C1 ZINC000302531218 563426018 /nfs/dbraw/zinc/42/60/18/563426018.db2.gz FIZCOOJZWHNKDK-UHFFFAOYSA-N 0 0 384.299 2.691 10 0 GFAERN O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1cc(C(F)(F)F)ccc1F ZINC000328627561 563461650 /nfs/dbraw/zinc/46/16/50/563461650.db2.gz MXBDEHWDEVIZNO-SNVBAGLBSA-N 0 0 377.363 2.582 10 0 GFAERN C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC000392906768 563527705 /nfs/dbraw/zinc/52/77/05/563527705.db2.gz XHIQFXHYBYWXGR-CPCISQLKSA-N 0 0 392.091 2.674 10 0 GFAERN CN(CCc1noc(COc2ccc(Cl)cc2)n1)C(=O)NC[C@@H]1CCCO1 ZINC000035479505 570367300 /nfs/dbraw/zinc/36/73/00/570367300.db2.gz AFCRVECRDKEXFE-HNNXBMFYSA-N 0 0 394.859 2.665 10 0 GFAERN CC[C@H]1CN(C(=O)NCC(F)(F)F)C[C@H]1c1cnc2cnc3[nH]ccc3n21 ZINC000147178941 570514401 /nfs/dbraw/zinc/51/44/01/570514401.db2.gz WYQFJHHDOKWSHR-WDEREUQCSA-N 0 0 380.374 2.908 10 0 GFAERN C[C@H](NC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)c1ccccc1 ZINC000006798668 570600041 /nfs/dbraw/zinc/60/00/41/570600041.db2.gz SYYWDZAJFQQFKP-HOCLYGCPSA-N 0 0 399.520 2.759 10 0 GFAERN Cc1cccc(CC(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NS(=O)(=O)c2ccccc2)c1 ZINC000097942219 570744268 /nfs/dbraw/zinc/74/42/68/570744268.db2.gz AEJXPXJKCVVKLD-BJLQDIEVSA-N 0 0 384.501 2.505 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1Br ZINC000016729533 654519519 /nfs/dbraw/zinc/51/95/19/654519519.db2.gz DBTKPZFTQHRRJP-JTQLQIEISA-N 0 0 383.267 2.588 10 0 GFAERN Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000017852707 654522075 /nfs/dbraw/zinc/52/20/75/654522075.db2.gz XMXAQDVSMOXPRP-GFCCVEGCSA-N 0 0 380.491 2.544 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000017852014 654522117 /nfs/dbraw/zinc/52/21/17/654522117.db2.gz XHYGTGDUVLKKRY-SNVBAGLBSA-N 0 0 383.267 2.588 10 0 GFAERN O=C(Cn1cc(Br)ccc1=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000030038248 654582342 /nfs/dbraw/zinc/58/23/42/654582342.db2.gz HUXGEEYZQAGSGM-ONGXEEELSA-N 0 0 381.192 2.848 10 0 GFAERN C[C@@H](NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)s1 ZINC000033192079 654609271 /nfs/dbraw/zinc/60/92/71/654609271.db2.gz VRCWYXGPMDYHRW-ZJUUUORDSA-N 0 0 397.909 2.706 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(Cl)s1 ZINC000046813425 654686418 /nfs/dbraw/zinc/68/64/18/654686418.db2.gz YHZMCKBFTKRVQJ-SECBINFHSA-N 0 0 379.912 2.845 10 0 GFAERN C[C@H](NC(=O)NCc1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000122014191 654728125 /nfs/dbraw/zinc/72/81/25/654728125.db2.gz NGMIRWNUUUYEBP-NSHDSACASA-N 0 0 378.274 2.937 10 0 GFAERN C[C@@H]1CN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000125526344 654796719 /nfs/dbraw/zinc/79/67/19/654796719.db2.gz DKVLCGHFDTYLBN-NXEZZACHSA-N 0 0 375.782 2.944 10 0 GFAERN C[C@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000128248247 654843258 /nfs/dbraw/zinc/84/32/58/654843258.db2.gz GBZCHCCASSYCKZ-BBRMVZONSA-N 0 0 380.838 2.786 10 0 GFAERN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c(Cl)c1 ZINC000128458982 654847441 /nfs/dbraw/zinc/84/74/41/654847441.db2.gz OHUZJEXQXDEBFK-AWEZNQCLSA-N 0 0 380.901 2.728 10 0 GFAERN COCCOCCC(=O)O[C@H](C)c1ccc(I)cc1 ZINC000066232370 654897002 /nfs/dbraw/zinc/89/70/02/654897002.db2.gz OESUVLCRRMSVHV-LLVKDONJSA-N 0 0 378.206 2.949 10 0 GFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000132220456 654929781 /nfs/dbraw/zinc/92/97/81/654929781.db2.gz OSSVLNCDIGIEPB-HNNXBMFYSA-N 0 0 381.885 2.901 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(Br)cc1 ZINC000070704768 654993878 /nfs/dbraw/zinc/99/38/78/654993878.db2.gz ZXOSTTVWAZQXIM-ZDUSSCGKSA-N 0 0 376.272 2.559 10 0 GFAERN Cc1cc(Br)cnc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000071499179 655000022 /nfs/dbraw/zinc/00/00/22/655000022.db2.gz ZVTGJMLTXXHMQC-SNVBAGLBSA-N 0 0 388.221 2.776 10 0 GFAERN O=C(COc1ccccc1Br)N1CC[C@@H](Oc2cccnc2)C1 ZINC000134882669 655005047 /nfs/dbraw/zinc/00/50/47/655005047.db2.gz NOLVIQWAAYOBKN-CQSZACIVSA-N 0 0 377.238 2.903 10 0 GFAERN C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000094039178 655026575 /nfs/dbraw/zinc/02/65/75/655026575.db2.gz FUUYHTPZDDKNPY-HZMBPMFUSA-N 0 0 378.416 2.889 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000101565499 655043943 /nfs/dbraw/zinc/04/39/43/655043943.db2.gz UAVLZBPHYVUWOW-OAHLLOKOSA-N 0 0 382.302 2.768 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000102102144 655051062 /nfs/dbraw/zinc/05/10/62/655051062.db2.gz IVBPYKYNDIRVBZ-GFCCVEGCSA-N 0 0 386.279 2.839 10 0 GFAERN COCCN1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000106109533 655102993 /nfs/dbraw/zinc/10/29/93/655102993.db2.gz XIRPPORXKAAKCV-KBPBESRZSA-N 0 0 388.339 2.823 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cs1 ZINC000107319465 655119717 /nfs/dbraw/zinc/11/97/17/655119717.db2.gz JVIJMRMLVMTXSK-JYRVWZFOSA-N 0 0 377.535 2.960 10 0 GFAERN CCN(CCS(C)(=O)=O)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000163563658 655135883 /nfs/dbraw/zinc/13/58/83/655135883.db2.gz CUFJAVKRYIFAJI-LLVKDONJSA-N 0 0 382.404 2.722 10 0 GFAERN O=C(Cc1cccc(Br)c1)N1CCCN(c2cccnn2)CC1 ZINC000109632044 655149339 /nfs/dbraw/zinc/14/93/39/655149339.db2.gz CSBHNIOHVQDUBF-UHFFFAOYSA-N 0 0 375.270 2.521 10 0 GFAERN CCCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110875693 655160952 /nfs/dbraw/zinc/16/09/52/655160952.db2.gz DOYTZWLTGDAIIF-AWEZNQCLSA-N 0 0 380.491 2.541 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(F)ccc3Br)CCO2)n1 ZINC000110899108 655161477 /nfs/dbraw/zinc/16/14/77/655161477.db2.gz PCBVDJYYTHOELG-AWEZNQCLSA-N 0 0 396.260 2.943 10 0 GFAERN S=c1[nH]c(-c2ccc(Cl)cc2)nn1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172960109 655161517 /nfs/dbraw/zinc/16/15/17/655161517.db2.gz MDMPFGKGAULFOY-OAHLLOKOSA-N 0 0 379.917 2.625 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)no1 ZINC000110946402 655162418 /nfs/dbraw/zinc/16/24/18/655162418.db2.gz CWTCDTQVLAEZIQ-UHFFFAOYSA-N 0 0 383.279 2.962 10 0 GFAERN CC(=O)N[C@@H]1CCCN(Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000111163294 655165823 /nfs/dbraw/zinc/16/58/23/655165823.db2.gz MEULVZRZGJHERW-MRXNPFEDSA-N 0 0 392.301 2.574 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)CCNC(=O)OCC(F)(F)F)C2)n1 ZINC000173405449 655170334 /nfs/dbraw/zinc/17/03/34/655170334.db2.gz NCHMRIHGNOFELA-LLVKDONJSA-N 0 0 379.404 2.836 10 0 GFAERN CSc1ccc(CN(C)C(=O)CN2CCO[C@H](c3nccs3)C2)cc1 ZINC000111691768 655176373 /nfs/dbraw/zinc/17/63/73/655176373.db2.gz RFZMMNDQGYSHCZ-INIZCTEOSA-N 0 0 377.535 2.897 10 0 GFAERN O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000173984824 655188386 /nfs/dbraw/zinc/18/83/86/655188386.db2.gz CCXOBBYFOWAXRO-HEWZJLJBSA-N 0 0 397.298 2.678 10 0 GFAERN Cc1cnc(CNC(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)s1 ZINC000174946996 655211145 /nfs/dbraw/zinc/21/11/45/655211145.db2.gz VDEDOSHILXWRPW-OCCSQVGLSA-N 0 0 380.539 2.774 10 0 GFAERN CCc1nnc(NC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)s1 ZINC000175302131 655219165 /nfs/dbraw/zinc/21/91/65/655219165.db2.gz SDVWGNOUASOLHQ-GFCCVEGCSA-N 0 0 381.527 2.699 10 0 GFAERN CCN1CCC[C@H]1CN(C)C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000175544729 655222902 /nfs/dbraw/zinc/22/29/02/655222902.db2.gz UICAYSMMWNMFEW-LBPRGKRZSA-N 0 0 378.416 2.536 10 0 GFAERN C[C@H](NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000175622625 655224084 /nfs/dbraw/zinc/22/40/84/655224084.db2.gz MGEGAKOKFLIXJL-KEYYUXOJSA-N 0 0 396.329 2.872 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCOc1cccc(Br)c1 ZINC000175705783 655225508 /nfs/dbraw/zinc/22/55/08/655225508.db2.gz AZCWJCRUFITAPC-AWEZNQCLSA-N 0 0 394.273 2.562 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(Br)cnc1N(C)C ZINC000175725914 655226147 /nfs/dbraw/zinc/22/61/47/655226147.db2.gz CARRJGDDNVLDBR-SNVBAGLBSA-N 0 0 386.290 2.712 10 0 GFAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)CC2 ZINC000114874165 655229957 /nfs/dbraw/zinc/22/99/57/655229957.db2.gz AQUXNUSGTCAWTO-SNVBAGLBSA-N 0 0 389.308 2.582 10 0 GFAERN C[C@H](CNC(=O)CCc1cc(Cl)ccc1Br)N1CCOCC1 ZINC000175977972 655230765 /nfs/dbraw/zinc/23/07/65/655230765.db2.gz ZVQYOFUOKGBWOS-GFCCVEGCSA-N 0 0 389.721 2.872 10 0 GFAERN CC1CCC(NS(=O)(=O)CC(=O)N2CCCC[C@@H]2c2nccs2)CC1 ZINC000115366086 655236080 /nfs/dbraw/zinc/23/60/80/655236080.db2.gz LTWSNZSFAUKBGX-YMAMQOFZSA-N 0 0 385.555 2.695 10 0 GFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2sccc2Br)CC1 ZINC000115389487 655236910 /nfs/dbraw/zinc/23/69/10/655236910.db2.gz CGDZTBHFJPKWTP-UHFFFAOYSA-N 0 0 397.342 2.819 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)CCc3ccc(Br)c(C)c3)CCO2)[nH]1 ZINC000176196722 655239341 /nfs/dbraw/zinc/23/93/41/655239341.db2.gz HZPGKDAOFSKGOG-OAHLLOKOSA-N 0 0 393.285 2.717 10 0 GFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000176225987 655240246 /nfs/dbraw/zinc/24/02/46/655240246.db2.gz LHPGJBBQWAHDOH-MRVPVSSYSA-N 0 0 378.185 2.530 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)NCCNc3ncc(Cl)cc3Cl)C2)cn1 ZINC000116531178 655249241 /nfs/dbraw/zinc/24/92/41/655249241.db2.gz WFYAGODBNVMJSY-NSHDSACASA-N 0 0 383.283 2.733 10 0 GFAERN Cc1nnc(S(=O)(=O)Cc2nccn2C(C)C)n1CCc1cccs1 ZINC000176951333 655263511 /nfs/dbraw/zinc/26/35/11/655263511.db2.gz QEXBUUMAQMIQKA-UHFFFAOYSA-N 0 0 379.511 2.642 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc(C)cc3Br)CCO2)[nH]1 ZINC000176955642 655263830 /nfs/dbraw/zinc/26/38/30/655263830.db2.gz BUXYVFPKRTVTAI-ZDUSSCGKSA-N 0 0 380.246 2.789 10 0 GFAERN Cc1cnn(CCNC(=O)Nc2ccc(I)cc2C)c1 ZINC000118007461 655271108 /nfs/dbraw/zinc/27/11/08/655271108.db2.gz QUGSITNRBHPOJF-UHFFFAOYSA-N 0 0 384.221 2.926 10 0 GFAERN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C)cs3)C2)o1 ZINC000177520351 655279192 /nfs/dbraw/zinc/27/91/92/655279192.db2.gz VBCYNIZTZMNPKP-GFCCVEGCSA-N 0 0 384.479 2.790 10 0 GFAERN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177553530 655281102 /nfs/dbraw/zinc/28/11/02/655281102.db2.gz KXVCXRIFNSGSHS-TVQRCGJNSA-N 0 0 378.778 2.965 10 0 GFAERN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177766597 655288042 /nfs/dbraw/zinc/28/80/42/655288042.db2.gz PEDLMCRNGVKWMI-CYBMUJFWSA-N 0 0 381.263 2.611 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177765734 655288129 /nfs/dbraw/zinc/28/81/29/655288129.db2.gz QCGZNNRUHHRTBU-CJNGLKHVSA-N 0 0 382.302 2.942 10 0 GFAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cncc(I)c3)C2)c1 ZINC000119078879 655289305 /nfs/dbraw/zinc/28/93/05/655289305.db2.gz PBWQXYYRJLSWQV-CQSZACIVSA-N 0 0 396.232 2.668 10 0 GFAERN COc1ccc(Br)c(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177818083 655289624 /nfs/dbraw/zinc/28/96/24/655289624.db2.gz WDIDZXHRWJQFAM-MLGOLLRUSA-N 0 0 398.301 2.642 10 0 GFAERN O=C(Cc1cc(Cl)ccc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000119108079 655290741 /nfs/dbraw/zinc/29/07/41/655290741.db2.gz MTLQDXACBGJLNR-CQSZACIVSA-N 0 0 387.705 2.578 10 0 GFAERN Cc1nn(C)c(Cl)c1C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000177966738 655293188 /nfs/dbraw/zinc/29/31/88/655293188.db2.gz ZMKZVPXLXBICFA-CYBMUJFWSA-N 0 0 382.917 2.589 10 0 GFAERN COCCCOCC(=O)O[C@H](C)c1ccc(I)cc1 ZINC000181129079 655332626 /nfs/dbraw/zinc/33/26/26/655332626.db2.gz GDSBSHYBIYNSCS-LLVKDONJSA-N 0 0 378.206 2.949 10 0 GFAERN Cc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1Br ZINC000120488619 655337011 /nfs/dbraw/zinc/33/70/11/655337011.db2.gz SEZYDEZLRXARKU-UHFFFAOYSA-N 0 0 387.285 2.517 10 0 GFAERN C[C@H]1CN(Cn2nnn(-c3ccc(Br)cc3)c2=S)CCS1 ZINC000182680607 655346529 /nfs/dbraw/zinc/34/65/29/655346529.db2.gz YYGRUPGCEYDAMB-JTQLQIEISA-N 0 0 386.344 2.956 10 0 GFAERN CCN(CC)S(=O)(=O)CC(=O)O[C@H](C)c1ccccc1Br ZINC000184713978 655359096 /nfs/dbraw/zinc/35/90/96/655359096.db2.gz JDKSQKGMWMHTTP-LLVKDONJSA-N 0 0 378.288 2.725 10 0 GFAERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)CCc1cccs1 ZINC000189665434 655387335 /nfs/dbraw/zinc/38/73/35/655387335.db2.gz MRHIMMMYZJFHQB-HIFRSBDPSA-N 0 0 388.555 2.903 10 0 GFAERN COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2C)s1 ZINC000190635174 655393762 /nfs/dbraw/zinc/39/37/62/655393762.db2.gz RPIDOHAMCIOMDS-CYBMUJFWSA-N 0 0 382.507 2.995 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000254954635 655436157 /nfs/dbraw/zinc/43/61/57/655436157.db2.gz WUXHNDPPVRXTEA-CHOZFAJLSA-N 0 0 388.283 2.635 10 0 GFAERN Cc1ccc(Br)cc1C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262714645 655446665 /nfs/dbraw/zinc/44/66/65/655446665.db2.gz MYBRAVYIWXCVFS-UHFFFAOYSA-N 0 0 395.297 2.815 10 0 GFAERN Cc1cc(Br)cnc1NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702856805 655521922 /nfs/dbraw/zinc/52/19/22/655521922.db2.gz JJOKKMOTEFMYGU-YPMHNXCESA-N 0 0 386.290 2.792 10 0 GFAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)/C=C\c3ccccc3Cl)O2)n1 ZINC000857772572 662090439 /nfs/dbraw/zinc/09/04/39/662090439.db2.gz KPOXQLVCKGWIJV-DQOKEGCPSA-N 0 0 383.857 2.842 10 0 GFAERN Cc1cc2n(n1)c1ccccc1c(=O)n2CC(=O)Nc1cccc2nsnc21 ZINC000019080027 210223658 /nfs/dbraw/zinc/22/36/58/210223658.db2.gz NCQWBABGBNCEHB-UHFFFAOYSA-N 0 0 390.428 2.601 10 0 GFAERN CCc1cccc(NC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c1 ZINC000015962730 210180441 /nfs/dbraw/zinc/18/04/41/210180441.db2.gz IXQNKUVMSWODOP-UHFFFAOYSA-N 0 0 377.444 2.709 10 0 GFAERN O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NC1(c2ccccc2)CC1 ZINC000015073435 210150044 /nfs/dbraw/zinc/15/00/44/210150044.db2.gz WBTNXKPFBXAIII-TYOLEZHBSA-N 0 0 389.499 2.696 10 0 GFAERN COCC(=O)N1CCC(n2c(Cc3cccc(OC)c3)nc3cccnc32)CC1 ZINC000012243483 209927198 /nfs/dbraw/zinc/92/71/98/209927198.db2.gz QZWHURUMAHBAEC-UHFFFAOYSA-N 0 0 394.475 2.841 10 0 GFAERN CCCSCCCNC(=O)Cn1nc(C)n2c3ccsc3cc2c1=O ZINC000005108793 209570600 /nfs/dbraw/zinc/57/06/00/209570600.db2.gz KPGVZMQYENTGJA-UHFFFAOYSA-N 0 0 378.523 2.669 10 0 GFAERN Ic1ncnc2ncn([C@@H]3COc4ccccc4CO3)c21 ZINC000029128877 209243965 /nfs/dbraw/zinc/24/39/65/209243965.db2.gz HRDSWTMQTZJWPE-NSHDSACASA-N 0 0 394.172 2.539 10 0 GFAERN Cc1ccc(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CC[NH2+]CC4)cc32)c(F)c1 ZINC000005930852 209232891 /nfs/dbraw/zinc/23/28/91/209232891.db2.gz YSBYRJYUZXQXTR-UHFFFAOYSA-N 0 0 399.397 2.685 10 0 GFAERN C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)CC[NH2+]1 ZINC000005929684 209233256 /nfs/dbraw/zinc/23/32/56/209233256.db2.gz VVDWMIBWDRTATF-SECBINFHSA-N 0 0 379.819 2.625 10 0 GFAERN Cc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@@H](C)O[C@@H](C)C3)n2)cc1C ZINC000028218704 209179962 /nfs/dbraw/zinc/17/99/62/209179962.db2.gz NIVBRLITHDHJOQ-CALCHBBNSA-N 0 0 398.511 2.682 10 0 GFAERN Cc1nn(C2CCCC2)c(N)c1[C@@]1(O)c2cc(Br)ccc2NC1=O ZINC000227173545 211484744 /nfs/dbraw/zinc/48/47/44/211484744.db2.gz NDFKYZHHIQOAMX-KRWDZBQOSA-N 0 0 391.269 2.839 10 0 GFAERN CC(C)(C)C(=O)/C=c1/[nH]c(=O)/c(=C\c2cnn(-c3ccc(Cl)cc3)c2)s1 ZINC000104300458 211435170 /nfs/dbraw/zinc/43/51/70/211435170.db2.gz USTGXVVKQVIGOP-VNPQYVHQSA-N 0 0 387.892 2.500 10 0 GFAERN Cc1cc(Cl)nc(S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090484 211219894 /nfs/dbraw/zinc/21/98/94/211219894.db2.gz LOUNGHLUEIKYFP-LLVKDONJSA-N 0 0 375.878 2.612 10 0 GFAERN CC(C)(C)OC(=O)N1CCC(COC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000095084127 211219035 /nfs/dbraw/zinc/21/90/35/211219035.db2.gz ZTQLFCURZJYBSE-UHFFFAOYSA-N 0 0 380.466 2.799 10 0 GFAERN COc1ccc(CS(=O)(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000095076400 211218738 /nfs/dbraw/zinc/21/87/38/211218738.db2.gz LJSVBRYMZDWOTK-INIZCTEOSA-N 0 0 398.525 2.762 10 0 GFAERN CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)Cc2cnc(Cl)s2)C1 ZINC000095084264 211218399 /nfs/dbraw/zinc/21/83/99/211218399.db2.gz MTJSMNYTEJGJBA-SNVBAGLBSA-N 0 0 380.919 2.968 10 0 GFAERN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1cccc2c1OCCO2 ZINC000095075377 211217479 /nfs/dbraw/zinc/21/74/79/211217479.db2.gz JTGWVGKZKHDLJE-CQSZACIVSA-N 0 0 376.453 2.787 10 0 GFAERN CC(C)[C@@H]1CN(C(=O)CCn2ccnc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000072121758 211070879 /nfs/dbraw/zinc/07/08/79/211070879.db2.gz LKYSRXKYNABWNG-IBGZPJMESA-N 0 0 386.471 2.698 10 0 GFAERN O=C(Cn1c2cccnc2n(C2CCCC2)c1=O)NCc1cc(F)cc(F)c1 ZINC000065202778 210975842 /nfs/dbraw/zinc/97/58/42/210975842.db2.gz UXDKDNGUDCZRDZ-UHFFFAOYSA-N 0 0 386.402 2.908 10 0 GFAERN CCOC(=O)N1CCC(Nc2nc(Cl)nc(NCc3ccco3)n2)CC1 ZINC000020167835 210321406 /nfs/dbraw/zinc/32/14/06/210321406.db2.gz MSGZFZNOPRNFJO-UHFFFAOYSA-N 0 0 380.836 2.763 10 0 GFAERN O=C(NCCc1ccco1)c1csc(-c2ccnc(N3CCOCC3)c2)n1 ZINC000065062638 136159037 /nfs/dbraw/zinc/15/90/37/136159037.db2.gz HEYJHZIVCYFQFE-UHFFFAOYSA-N 0 0 384.461 2.607 10 0 GFAERN CCc1ccc(-n2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)nn2)cc1 ZINC000067263249 136164551 /nfs/dbraw/zinc/16/45/51/136164551.db2.gz GMTJAEXRNGYCSA-UHFFFAOYSA-N 0 0 391.475 2.801 10 0 GFAERN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)C1 ZINC000036615450 527839184 /nfs/dbraw/zinc/83/91/84/527839184.db2.gz OQSCLHRPLFFMQL-IAQYHMDHSA-N 0 0 382.819 2.774 10 0 GFAERN C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000046127044 551148920 /nfs/dbraw/zinc/14/89/20/551148920.db2.gz NRTYISNBEKRLLJ-RYUDHWBXSA-N 0 0 397.294 2.884 10 0 GFAERN C[C@@H](CNC(=O)NCC(C)(C)c1ccc(Br)cc1)N1CCOCC1 ZINC000049130773 551158111 /nfs/dbraw/zinc/15/81/11/551158111.db2.gz XCXUWDCBBZRTBE-AWEZNQCLSA-N 0 0 398.345 2.747 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CCS1 ZINC000114043277 551208697 /nfs/dbraw/zinc/20/86/97/551208697.db2.gz KSRVGIJRKSIDMF-SECBINFHSA-N 0 0 380.363 2.669 10 0 GFAERN CN(CC(=O)N1CCC[C@H]1c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000116045374 551211573 /nfs/dbraw/zinc/21/15/73/551211573.db2.gz DWXMOEJIVSMKSC-HNNXBMFYSA-N 0 0 382.869 2.917 10 0 GFAERN Cc1cc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1Br ZINC000116370927 551213329 /nfs/dbraw/zinc/21/33/29/551213329.db2.gz OSEFTJATXDFJST-GFCCVEGCSA-N 0 0 384.299 2.669 10 0 GFAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119509874 551217415 /nfs/dbraw/zinc/21/74/15/551217415.db2.gz ITDDSFSVPSYOFG-UHFFFAOYSA-N 0 0 391.269 2.825 10 0 GFAERN CC(C)(C)c1cn2nc(NCCNS(=O)(=O)c3cccs3)sc2n1 ZINC000120011917 551219064 /nfs/dbraw/zinc/21/90/64/551219064.db2.gz MMDYWOYISXTHPS-UHFFFAOYSA-N 0 0 385.540 2.540 10 0 GFAERN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1nnc2n1CCCC2 ZINC000121699758 551240120 /nfs/dbraw/zinc/24/01/20/551240120.db2.gz RTYVWCRTUUQYDK-SECBINFHSA-N 0 0 375.281 2.961 10 0 GFAERN C[C@H](NC(=O)NCCNC(=O)c1cccnc1)c1cccc(Br)c1 ZINC000121839354 551243838 /nfs/dbraw/zinc/24/38/38/551243838.db2.gz ZIBWTBKLFMYQNT-LBPRGKRZSA-N 0 0 391.269 2.634 10 0 GFAERN Cc1cc(S(=O)(=O)N[C@H](CO)c2ccccc2)sc1Br ZINC000123620672 551307476 /nfs/dbraw/zinc/30/74/76/551307476.db2.gz BSJQHSIFFFVFIG-LLVKDONJSA-N 0 0 376.297 2.831 10 0 GFAERN COC(=O)c1ccccc1CS(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000124374436 551314017 /nfs/dbraw/zinc/31/40/17/551314017.db2.gz BHTHHPXMMZRCIQ-HNNXBMFYSA-N 0 0 380.491 2.987 10 0 GFAERN Cc1ccc(Br)c(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000128289040 551348497 /nfs/dbraw/zinc/34/84/97/551348497.db2.gz VQWMAEYRAJTCFR-AWEZNQCLSA-N 0 0 397.294 2.995 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)Cc2ccccc2I)cn1 ZINC000128819083 551352735 /nfs/dbraw/zinc/35/27/35/551352735.db2.gz HBSNKAVXQDIPQZ-HNNXBMFYSA-N 0 0 395.244 2.931 10 0 GFAERN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000131097844 551372514 /nfs/dbraw/zinc/37/25/14/551372514.db2.gz SBOXXQIYLQWKJS-CHWSQXEVSA-N 0 0 388.917 2.618 10 0 GFAERN CCCCOCCN(C(=O)[C@@H]1CNC(=O)C1)c1cccc(Br)c1 ZINC000135647515 551388508 /nfs/dbraw/zinc/38/85/08/551388508.db2.gz UFMYHXMMJYZUGV-ZDUSSCGKSA-N 0 0 383.286 2.735 10 0 GFAERN O=C(N[C@@H]1CCCn2ncnc21)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000152834189 551440725 /nfs/dbraw/zinc/44/07/25/551440725.db2.gz FPQRIAHZZBVPNB-CQSZACIVSA-N 0 0 384.267 2.624 10 0 GFAERN O=C(Cn1cc(Br)ccc1=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153227218 551448522 /nfs/dbraw/zinc/44/85/22/551448522.db2.gz TVILPYUAJAGFRD-HNNXBMFYSA-N 0 0 379.229 2.944 10 0 GFAERN O=C(CCNC(=O)NC[C@@H]1CCCC[C@@H]1O)Nc1ccc(Br)cc1 ZINC000153913266 551462996 /nfs/dbraw/zinc/46/29/96/551462996.db2.gz HORKUGGFNNARRA-WFASDCNBSA-N 0 0 398.301 2.628 10 0 GFAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000153926266 551463167 /nfs/dbraw/zinc/46/31/67/551463167.db2.gz WHXRAAYYCCNNQI-BXUZGUMPSA-N 0 0 385.277 2.894 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1CCCO1 ZINC000154571156 551478012 /nfs/dbraw/zinc/47/80/12/551478012.db2.gz IMXFQBOPKLXTQX-PRHODGIISA-N 0 0 375.650 2.725 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000154660487 551480333 /nfs/dbraw/zinc/48/03/33/551480333.db2.gz KBPKKHKKZLKNTH-QRTARXTBSA-N 0 0 396.329 2.878 10 0 GFAERN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@H](C)c1ccccc1Br ZINC000155016212 551488937 /nfs/dbraw/zinc/48/89/37/551488937.db2.gz PFDCEDZPHDGQAR-DOMZBBRYSA-N 0 0 385.302 2.804 10 0 GFAERN C[C@@H](NC(=O)NC[C@H](C)CN1CCOCC1)c1ccccc1Br ZINC000155274654 551496177 /nfs/dbraw/zinc/49/61/77/551496177.db2.gz SPZWIDLRTXCQRI-UONOGXRCSA-N 0 0 384.318 2.778 10 0 GFAERN CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157664634 551541141 /nfs/dbraw/zinc/54/11/41/551541141.db2.gz NGDZJJUPWMXWRA-AWEZNQCLSA-N 0 0 382.482 2.945 10 0 GFAERN COCCN1CCN(C(=O)CSc2cccc(Br)c2)C[C@@H]1C ZINC000163095254 551616186 /nfs/dbraw/zinc/61/61/86/551616186.db2.gz YVAWHDQNXRCDLX-ZDUSSCGKSA-N 0 0 387.343 2.720 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1nnc2n1CCCC2 ZINC000165549277 551629525 /nfs/dbraw/zinc/62/95/25/551629525.db2.gz JRRHZPFKRGATDA-VIFPVBQESA-N 0 0 382.251 2.737 10 0 GFAERN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c(C)o1 ZINC000167028380 551632754 /nfs/dbraw/zinc/63/27/54/551632754.db2.gz OLSQLJZEIBEULA-GFCCVEGCSA-N 0 0 384.479 2.708 10 0 GFAERN O=C(CN1CCO[C@@H](c2nccs2)C1)Nc1ccc(Br)cc1 ZINC000171667964 551660883 /nfs/dbraw/zinc/66/08/83/551660883.db2.gz PXTIIWWRNAITGM-CYBMUJFWSA-N 0 0 382.283 2.918 10 0 GFAERN CCn1cc(Br)cc1C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000171812896 551664550 /nfs/dbraw/zinc/66/45/50/551664550.db2.gz DXOHAJOZDLOKSQ-UHFFFAOYSA-N 0 0 392.301 2.802 10 0 GFAERN O=S(=O)(c1ccc(Br)c(F)c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000173043339 551693184 /nfs/dbraw/zinc/69/31/84/551693184.db2.gz OIDAGIKAPKKYNA-UONOGXRCSA-N 0 0 378.263 2.920 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)Cn3cc(Br)ccc3=O)C2)n1 ZINC000173068194 551694298 /nfs/dbraw/zinc/69/42/98/551694298.db2.gz FBTBDOKNVLAEDB-GFCCVEGCSA-N 0 0 396.310 2.782 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)CSCc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173093137 551695311 /nfs/dbraw/zinc/69/53/11/551695311.db2.gz RGASMIIWBFTSGK-AWEZNQCLSA-N 0 0 380.901 2.854 10 0 GFAERN CCc1nnc([C@@H]2CN(C(=O)CCc3cccc(Br)c3)CCO2)[nH]1 ZINC000173094706 551695863 /nfs/dbraw/zinc/69/58/63/551695863.db2.gz YZDDHAWCLXOEGE-AWEZNQCLSA-N 0 0 393.285 2.662 10 0 GFAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000173301946 552082019 /nfs/dbraw/zinc/08/20/19/552082019.db2.gz SKHSXQZGEWVQAA-MRXNPFEDSA-N 0 0 383.491 2.907 10 0 GFAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000173827521 552093305 /nfs/dbraw/zinc/09/33/05/552093305.db2.gz RKDZCZMSQUPGQC-CHWSQXEVSA-N 0 0 378.416 2.833 10 0 GFAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]3Cn3ccnc3)cc(Cl)c2O1 ZINC000173837147 552093582 /nfs/dbraw/zinc/09/35/82/552093582.db2.gz RSLSXKZWUSZYIX-TZMCWYRMSA-N 0 0 381.885 2.713 10 0 GFAERN O=C(NCCc1ccc(F)c(Br)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000174183271 552101794 /nfs/dbraw/zinc/10/17/94/552101794.db2.gz UBTOQKUXTSRUDU-CYBMUJFWSA-N 0 0 396.264 2.769 10 0 GFAERN Cc1cc(Br)ccc1CNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174831866 552111449 /nfs/dbraw/zinc/11/14/49/552111449.db2.gz XTDJMXQRUAUGOR-HNNXBMFYSA-N 0 0 378.274 2.896 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)NCCSc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000175322893 552119622 /nfs/dbraw/zinc/11/96/22/552119622.db2.gz MMUYZTWWAVRAPX-AWEZNQCLSA-N 0 0 381.889 2.642 10 0 GFAERN CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)s1 ZINC000175378110 552120504 /nfs/dbraw/zinc/12/05/04/552120504.db2.gz RPTBXLWZWDNEFT-AWEZNQCLSA-N 0 0 399.563 2.799 10 0 GFAERN COc1ncc(C)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000175811299 552129785 /nfs/dbraw/zinc/12/97/85/552129785.db2.gz JDYXOUZYZGWSQB-LLVKDONJSA-N 0 0 392.253 2.977 10 0 GFAERN O=C(CCc1cc(Cl)ccc1Br)N[C@H]1CCc2ncnn2C1 ZINC000176050802 552134758 /nfs/dbraw/zinc/13/47/58/552134758.db2.gz ZQPVNGHLNTYXTB-LBPRGKRZSA-N 0 0 383.677 2.758 10 0 GFAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(F)c(I)c1 ZINC000179223639 552187250 /nfs/dbraw/zinc/18/72/50/552187250.db2.gz HIHBHPDTIODEAV-MFKMUULPSA-N 0 0 377.197 2.711 10 0 GFAERN COC[C@@H](C)NC(=O)NC(=O)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179537878 552195608 /nfs/dbraw/zinc/19/56/08/552195608.db2.gz PFDSOGCVYJHHGH-BDAKNGLRSA-N 0 0 380.247 2.644 10 0 GFAERN Cn1c(CS(=O)(=O)c2nccn2-c2cccc(Cl)c2)nnc1C1CC1 ZINC000179620915 552197946 /nfs/dbraw/zinc/19/79/46/552197946.db2.gz IHRMBGBGRBKJRE-UHFFFAOYSA-N 0 0 377.857 2.506 10 0 GFAERN CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cccs2)cc1F ZINC000180340436 552222949 /nfs/dbraw/zinc/22/29/49/552222949.db2.gz OPBLJQVZBDWRJN-JTQLQIEISA-N 0 0 392.499 2.688 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCc1ccccc1Br)CC2 ZINC000181533513 552260247 /nfs/dbraw/zinc/26/02/47/552260247.db2.gz YXIYECCUCWTIAV-CYBMUJFWSA-N 0 0 392.301 2.978 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccnc(Cl)c1I ZINC000181969217 552271548 /nfs/dbraw/zinc/27/15/48/552271548.db2.gz JABRIHVRVWYZPX-PSASIEDQSA-N 0 0 394.640 2.621 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)n1C ZINC000182390768 552282515 /nfs/dbraw/zinc/28/25/15/552282515.db2.gz RKVKESZLAVPZLI-UHFFFAOYSA-N 0 0 384.889 2.536 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cnc(Br)c(C)c1 ZINC000182426106 552283809 /nfs/dbraw/zinc/28/38/09/552283809.db2.gz SAHQVCFSYCVKPT-NSHDSACASA-N 0 0 395.261 2.547 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)CCc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000182481966 552285754 /nfs/dbraw/zinc/28/57/54/552285754.db2.gz UZAJLYMDYPTBDB-AWEZNQCLSA-N 0 0 397.248 2.547 10 0 GFAERN COC(=O)c1cc(NC(=O)NC[C@H]2CCCC[C@H]2O)ccc1Br ZINC000182640038 552289582 /nfs/dbraw/zinc/28/95/82/552289582.db2.gz RYMIDGFTLCEJMQ-QMTHXVAHSA-N 0 0 385.258 2.908 10 0 GFAERN Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000184010264 552325012 /nfs/dbraw/zinc/32/50/12/552325012.db2.gz NEXADKNLFLAKDA-ZDUSSCGKSA-N 0 0 385.482 2.718 10 0 GFAERN O[C@@H](CN1CCCN(c2cccnn2)CC1)c1ccc(F)c(Br)c1 ZINC000184999994 552350642 /nfs/dbraw/zinc/35/06/42/552350642.db2.gz VKYWGVDYDWVLCP-INIZCTEOSA-N 0 0 395.276 2.624 10 0 GFAERN CN(C)C(=O)NCCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000185567823 552366027 /nfs/dbraw/zinc/36/60/27/552366027.db2.gz PNWDBOTTYKMZCB-DZGCQCFKSA-N 0 0 388.295 2.849 10 0 GFAERN CCS(=O)(=O)C[C@H](C)N[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186273433 552383441 /nfs/dbraw/zinc/38/34/41/552383441.db2.gz HNVDVSGAVPNAQI-BLLLJJGKSA-N 0 0 398.326 2.741 10 0 GFAERN C[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)c1ccccc1Br ZINC000186925205 552401545 /nfs/dbraw/zinc/40/15/45/552401545.db2.gz REXHLMXHOMXJOI-GWCFXTLKSA-N 0 0 377.229 2.592 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000187414688 552414767 /nfs/dbraw/zinc/41/47/67/552414767.db2.gz AZUPLYCGJOVTDQ-NKWVEPMBSA-N 0 0 384.355 2.843 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cc(C)ccc1I ZINC000187700423 552421821 /nfs/dbraw/zinc/42/18/21/552421821.db2.gz PLNDUUOWHXIYND-OAHLLOKOSA-N 0 0 387.217 2.767 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000187712422 552422512 /nfs/dbraw/zinc/42/25/12/552422512.db2.gz DDPQNESNVWSUCD-MGPLVRAMSA-N 0 0 388.233 2.910 10 0 GFAERN C[C@@H]1COC[C@H](C)N1C(=O)c1nc(Br)ccc1Br ZINC000188004494 552431303 /nfs/dbraw/zinc/43/13/03/552431303.db2.gz HNNUJPCDQRELLB-OCAPTIKFSA-N 0 0 378.064 2.856 10 0 GFAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000188170308 552437702 /nfs/dbraw/zinc/43/77/02/552437702.db2.gz BMLPCXNLSVJZNY-SECBINFHSA-N 0 0 396.227 2.586 10 0 GFAERN O=C(NC1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1)C1CCC1 ZINC000188536497 552446966 /nfs/dbraw/zinc/44/69/66/552446966.db2.gz FCSCWGMAQKWDNC-HZPDHXFCSA-N 0 0 377.282 2.680 10 0 GFAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000188659960 552451619 /nfs/dbraw/zinc/45/16/19/552451619.db2.gz GXUGLVOJPCBIKV-INMHGKMJSA-N 0 0 378.881 2.589 10 0 GFAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1cccc(Br)c1 ZINC000188792674 552454966 /nfs/dbraw/zinc/45/49/66/552454966.db2.gz QKPVJOOLUUKMLI-LLVKDONJSA-N 0 0 380.286 2.820 10 0 GFAERN Cc1cnn(C[C@@H]2CN(CCOc3cc(F)cc(Br)c3)CCO2)c1 ZINC000188962572 552459639 /nfs/dbraw/zinc/45/96/39/552459639.db2.gz WVDDYBBMZVBTSZ-KRWDZBQOSA-N 0 0 398.276 2.873 10 0 GFAERN C[C@H](NC(=O)NCc1ccc(Cl)cc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000189444895 552471763 /nfs/dbraw/zinc/47/17/63/552471763.db2.gz PETGQYVSLSJWHY-JTQLQIEISA-N 0 0 385.848 2.687 10 0 GFAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)c1ccc(Br)cc1OC)C(C)C ZINC000189777231 552479797 /nfs/dbraw/zinc/47/97/97/552479797.db2.gz RFWZWARDOMYAQD-IINYFYTJSA-N 0 0 386.290 2.589 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)Cc2cccc(Br)c2C)n1 ZINC000190162680 552489304 /nfs/dbraw/zinc/48/93/04/552489304.db2.gz QXVXEROGJJHSJO-AWEZNQCLSA-N 0 0 380.242 2.592 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190743418 552507335 /nfs/dbraw/zinc/50/73/35/552507335.db2.gz HHTRPCVRRWGETR-CQSZACIVSA-N 0 0 391.269 2.584 10 0 GFAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000190968109 552515055 /nfs/dbraw/zinc/51/50/55/552515055.db2.gz JHJDTOSWQNPKJL-CJNGLKHVSA-N 0 0 395.297 2.549 10 0 GFAERN COC(=O)CN(Cc1cccc(Br)c1)C[C@H](O)COC(C)(C)C ZINC000191613597 552533677 /nfs/dbraw/zinc/53/36/77/552533677.db2.gz QRYQYNSBXDPUMO-HNNXBMFYSA-N 0 0 388.302 2.600 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000191732392 552536588 /nfs/dbraw/zinc/53/65/88/552536588.db2.gz VLSRCYORUZUSNL-UHFFFAOYSA-N 0 0 397.313 2.734 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000191824933 552539403 /nfs/dbraw/zinc/53/94/03/552539403.db2.gz AKQJJKCDOFPTMK-OAHLLOKOSA-N 0 0 384.885 2.612 10 0 GFAERN CCNc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000191857510 552539990 /nfs/dbraw/zinc/53/99/90/552539990.db2.gz FMFQUQCGMJFKNM-LLVKDONJSA-N 0 0 381.885 2.910 10 0 GFAERN Cc1c(Br)cccc1CC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000191873817 552541235 /nfs/dbraw/zinc/54/12/35/552541235.db2.gz LCOSHZKSOSBQGU-OAHLLOKOSA-N 0 0 389.297 2.875 10 0 GFAERN O=S(=O)(CCc1cccs1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000192027173 552546852 /nfs/dbraw/zinc/54/68/52/552546852.db2.gz KABJVKZADMHATC-OAHLLOKOSA-N 0 0 380.539 2.775 10 0 GFAERN O=C(Cc1ccc(I)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000192061580 552548220 /nfs/dbraw/zinc/54/82/20/552548220.db2.gz OVOVEFWSAQSBEL-RHSMWYFYSA-N 0 0 399.272 2.987 10 0 GFAERN O=C(c1cc(Br)c(F)cc1F)N1CCC[C@H](Cn2cncn2)C1 ZINC000192128251 552552253 /nfs/dbraw/zinc/55/22/53/552552253.db2.gz WEURTSDHUDZTNF-JTQLQIEISA-N 0 0 385.212 2.871 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(Br)c1F ZINC000192153933 552553363 /nfs/dbraw/zinc/55/33/63/552553363.db2.gz LJTVFGYEDWFHSY-LLVKDONJSA-N 0 0 383.221 2.591 10 0 GFAERN Cc1ccc([C@H](CNC(=O)N2CCS[C@H](C)CC2)N2CCOCC2)s1 ZINC000192429135 552563641 /nfs/dbraw/zinc/56/36/41/552563641.db2.gz CDPDWOCWSBCFAY-ZBFHGGJFSA-N 0 0 383.583 2.967 10 0 GFAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)C2)c1 ZINC000193746948 553002155 /nfs/dbraw/zinc/00/21/55/553002155.db2.gz ZYSZVAUMXSRTRL-SNVBAGLBSA-N 0 0 377.363 2.774 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3F)CCO2)n1 ZINC000193954035 553008114 /nfs/dbraw/zinc/00/81/14/553008114.db2.gz ZAILOSYOKQBXDB-SNVBAGLBSA-N 0 0 378.397 2.631 10 0 GFAERN CCc1nnc(C[S@@](=O)Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)n1C ZINC000194309592 553016970 /nfs/dbraw/zinc/01/69/70/553016970.db2.gz RYJMQPMFJIYOOR-VWLOTQADSA-N 0 0 399.307 2.714 10 0 GFAERN CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)no1 ZINC000194787745 553029785 /nfs/dbraw/zinc/02/97/85/553029785.db2.gz YFHRBWSZOJBRHX-LLVKDONJSA-N 0 0 379.467 2.724 10 0 GFAERN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)[C@@H]1CNC(=O)C1 ZINC000194784435 553029978 /nfs/dbraw/zinc/02/99/78/553029978.db2.gz XLBAXLZBTVJTTN-JTQLQIEISA-N 0 0 380.267 2.571 10 0 GFAERN COc1ccc(C(=O)Oc2c(Br)cc(C(N)=O)cc2OC)cc1 ZINC000226306024 553061345 /nfs/dbraw/zinc/06/13/45/553061345.db2.gz UTZCSNOBOYVFPE-UHFFFAOYSA-N 0 0 380.194 2.784 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Br)c2)C[C@H]1C ZINC000246150265 553103378 /nfs/dbraw/zinc/10/33/78/553103378.db2.gz VNCIEKUZHYCMRW-MNOVXSKESA-N 0 0 375.694 2.630 10 0 GFAERN C[C@@H](NC(=O)CN1CC[C@@H](N2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000246236595 553105212 /nfs/dbraw/zinc/10/52/12/553105212.db2.gz TYYRFLWLCJJTSW-UKRRQHHQSA-N 0 0 386.323 2.577 10 0 GFAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000247158208 553119370 /nfs/dbraw/zinc/11/93/70/553119370.db2.gz QJZXKTMVTJTKQQ-XEZPLFJOSA-N 0 0 387.307 2.940 10 0 GFAERN C[C@H](NC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)c1cccs1 ZINC000248497690 553130669 /nfs/dbraw/zinc/13/06/69/553130669.db2.gz LXQDAMQAIKRVCB-PEYYIBSZSA-N 0 0 378.494 2.907 10 0 GFAERN COC(=O)[C@@H](C)N(C[C@@H](O)COc1cccc(Br)c1)C1CCC1 ZINC000248824364 553135367 /nfs/dbraw/zinc/13/53/67/553135367.db2.gz WPACBQBJUXYPQF-IUODEOHRSA-N 0 0 386.286 2.605 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000262969690 553180091 /nfs/dbraw/zinc/18/00/91/553180091.db2.gz RQGKBJLQPJNYHE-UHFFFAOYSA-N 0 0 389.279 2.770 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Nc2nc3ccsc3s2)C1 ZINC000263143772 553182868 /nfs/dbraw/zinc/18/28/68/553182868.db2.gz ZXGXVRXOLMOKBA-UHFFFAOYSA-N 0 0 380.495 2.807 10 0 GFAERN CCN1CC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263281098 553185337 /nfs/dbraw/zinc/18/53/37/553185337.db2.gz UGEGBLOHIHQVBC-ZNMIVQPWSA-N 0 0 375.822 2.728 10 0 GFAERN COc1ccc(Br)c(CN2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c1 ZINC000263562136 553189794 /nfs/dbraw/zinc/18/97/94/553189794.db2.gz CNRZRTKRBSDCLX-CQSZACIVSA-N 0 0 385.302 2.829 10 0 GFAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2COc3ccc(Br)cc32)no1 ZINC000372855935 563319644 /nfs/dbraw/zinc/31/96/44/563319644.db2.gz KTDFXVFNGUASHJ-OLZOCXBDSA-N 0 0 378.226 2.980 10 0 GFAERN Cn1cc(CNc2ccc(I)cc2Br)nn1 ZINC000300769008 563391370 /nfs/dbraw/zinc/39/13/70/563391370.db2.gz XTKHPSRULPNRBI-UHFFFAOYSA-N 0 0 393.026 2.794 10 0 GFAERN C[C@@H](Cc1cccs1)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000301487445 563405313 /nfs/dbraw/zinc/40/53/13/563405313.db2.gz IOLGZYDNGKHMCQ-LBPRGKRZSA-N 0 0 387.548 2.623 10 0 GFAERN COCCc1nsc(Sc2nc3sc4c(c3c(=O)n2C)CCC4)n1 ZINC000302822902 563430383 /nfs/dbraw/zinc/43/03/83/563430383.db2.gz KXKYZOWXQYITFC-UHFFFAOYSA-N 0 0 380.520 2.675 10 0 GFAERN COc1ccc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)c(Cl)c1Cl ZINC000328637928 563462501 /nfs/dbraw/zinc/46/25/01/563462501.db2.gz WCNXWELPYZHODA-JTQLQIEISA-N 0 0 390.292 2.739 10 0 GFAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(Br)sc1Br ZINC000392933942 563527780 /nfs/dbraw/zinc/52/77/80/563527780.db2.gz QLRXUKFITDKKQC-CAHLUQPWSA-N 0 0 396.104 2.670 10 0 GFAERN O=C(CCc1ccccn1)N1CCc2ccc(NC(=O)[C@H]3CCCO3)cc2C1 ZINC000012319593 570307663 /nfs/dbraw/zinc/30/76/63/570307663.db2.gz OXPYNGFLXXIBKA-HXUWFJFHSA-N 0 0 379.460 2.717 10 0 GFAERN C/C=C/C(=O)N1CCN(c2nc3cc(C)c(C)cc3nc2C(=O)OCC)CC1 ZINC000022641115 570347766 /nfs/dbraw/zinc/34/77/66/570347766.db2.gz PQGLRKFDHRJSMV-FNORWQNLSA-N 0 0 382.464 2.648 10 0 GFAERN COc1cccc(SCC(=O)N2CCCn3nc([C@H](O)C4CC4)cc3C2)c1 ZINC000219851822 570376616 /nfs/dbraw/zinc/37/66/16/570376616.db2.gz QKTSDKVECZLWPP-HXUWFJFHSA-N 0 0 387.505 2.860 10 0 GFAERN CC[C@H](C(=O)NCc1ccccc1OC)n1nc(C)n2c3ccoc3cc2c1=O ZINC000005149786 570499362 /nfs/dbraw/zinc/49/93/62/570499362.db2.gz YAQDGEZQJKFUGT-OAHLLOKOSA-N 0 0 394.431 2.827 10 0 GFAERN CCc1nc(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)nc2)cs1 ZINC000064746714 570531322 /nfs/dbraw/zinc/53/13/22/570531322.db2.gz GAJSTFKYRZBLGU-LBPRGKRZSA-N 0 0 396.925 2.585 10 0 GFAERN O=C(NCc1ccc(F)cc1F)c1cn(-c2ccc(NC(=O)C3CC3)cn2)cn1 ZINC000065197040 570728778 /nfs/dbraw/zinc/72/87/78/570728778.db2.gz XUJSTBZSBMLRPL-UHFFFAOYSA-N 0 0 397.385 2.824 10 0 GFAERN CCN1CCN(C(=O)c2ccc3oc(=O)n(Cc4ccc(C)cc4)c3c2)CC1 ZINC000064894552 570756945 /nfs/dbraw/zinc/75/69/45/570756945.db2.gz KAHGQVLOICWISO-UHFFFAOYSA-N 0 0 379.460 2.729 10 0 GFAERN CC(C)(C)N=C1Nc2ccccc2CN[C@]12CCN(C(=O)c1ccncc1)C2 ZINC000065265942 570894867 /nfs/dbraw/zinc/89/48/67/570894867.db2.gz BCJSWMNIJKLADF-QFIPXVFZSA-N 0 0 377.492 2.888 10 0 GFAERN C[C@H]1CN(CC(=O)NCc2nc(-c3ccccc3)no2)Cc2ccccc2O1 ZINC000012080002 570958178 /nfs/dbraw/zinc/95/81/78/570958178.db2.gz SULXGESGOPNFJA-HNNXBMFYSA-N 0 0 378.432 2.636 10 0 GFAERN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NC1=NCCS1 ZINC000004747010 570992731 /nfs/dbraw/zinc/99/27/31/570992731.db2.gz BEAZFEYOZMCUBQ-XFXZXTDPSA-N 0 0 395.506 2.636 10 0 GFAERN C[C@H](C(=O)Nc1cccc(I)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000025412779 654549672 /nfs/dbraw/zinc/54/96/72/654549672.db2.gz PUNUKBUSKTWOKQ-IJLUTSLNSA-N 0 0 388.249 2.727 10 0 GFAERN CC(C)[C@@H](C)NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000025976710 654554878 /nfs/dbraw/zinc/55/48/78/654554878.db2.gz CXRVBPDIZUMZND-GFCCVEGCSA-N 0 0 380.432 2.925 10 0 GFAERN O=C(Cn1c(=O)cnc2ccccc21)Oc1ccc(F)cc1Br ZINC000044672716 654662032 /nfs/dbraw/zinc/66/20/32/654662032.db2.gz BIADRDJVDTZREU-UHFFFAOYSA-N 0 0 377.169 2.904 10 0 GFAERN C[C@@H](CNC(=O)CCSc1ccccc1Br)N1CCOCC1 ZINC000046745403 654684459 /nfs/dbraw/zinc/68/44/59/654684459.db2.gz VQNUOMCWFSIGEO-ZDUSSCGKSA-N 0 0 387.343 2.768 10 0 GFAERN COC(=O)c1cc(I)cc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000122826975 654743764 /nfs/dbraw/zinc/74/37/64/654743764.db2.gz WJDYKJBOOPNNQL-PRHODGIISA-N 0 0 389.189 2.584 10 0 GFAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123196085 654752991 /nfs/dbraw/zinc/75/29/91/654752991.db2.gz OWNFCEKSCIBLJS-GTNSWQLSSA-N 0 0 399.260 2.680 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)c(Br)c1 ZINC000123454479 654756406 /nfs/dbraw/zinc/75/64/06/654756406.db2.gz OZMVRGKAPVJEII-CQSZACIVSA-N 0 0 389.315 2.900 10 0 GFAERN C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127385615 654828330 /nfs/dbraw/zinc/82/83/30/654828330.db2.gz OIOZQWYQKXIMCY-ZIAGYGMSSA-N 0 0 393.285 2.747 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)C1 ZINC000131875690 654920005 /nfs/dbraw/zinc/92/00/05/654920005.db2.gz DTRJPIFSCFJBIB-CQSZACIVSA-N 0 0 386.901 2.612 10 0 GFAERN CC(C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1Br ZINC000133670669 654970281 /nfs/dbraw/zinc/97/02/81/654970281.db2.gz UHTNCWFJMGJFLG-UHFFFAOYSA-N 0 0 399.104 2.715 10 0 GFAERN COc1ncccc1NC(=O)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000070955626 654997317 /nfs/dbraw/zinc/99/73/17/654997317.db2.gz SCAIOWHUUAAVMT-JTQLQIEISA-N 0 0 378.226 2.669 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000134876630 655004901 /nfs/dbraw/zinc/00/49/01/655004901.db2.gz XRYNZDVPHBWSFF-LBPRGKRZSA-N 0 0 385.255 2.501 10 0 GFAERN CC(C)[C@H](NC(=O)NCC1(c2cccc(Br)c2)CCC1)C(N)=O ZINC000134906093 655005728 /nfs/dbraw/zinc/00/57/28/655005728.db2.gz WUBLUNGHXLFVOB-AWEZNQCLSA-N 0 0 382.302 2.680 10 0 GFAERN C[C@@H](NC(=O)c1ccc(I)cc1)c1nnc2n1CCCC2 ZINC000135254270 655012623 /nfs/dbraw/zinc/01/26/23/655012623.db2.gz LSXMDFCOHGYFFC-SNVBAGLBSA-N 0 0 396.232 2.710 10 0 GFAERN CC(C)[C@H](NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)C(N)=O ZINC000135376252 655014907 /nfs/dbraw/zinc/01/49/07/655014907.db2.gz OASLOVFPJUWZCB-NSHDSACASA-N 0 0 382.675 2.835 10 0 GFAERN C[C@H](OC(=O)CN(C)C(=O)c1ccc(Br)s1)C1CCOCC1 ZINC000151633311 655053200 /nfs/dbraw/zinc/05/32/00/655053200.db2.gz CAOWPTXYVBQZHU-JTQLQIEISA-N 0 0 390.299 2.941 10 0 GFAERN CCSc1nn(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c(=S)s1 ZINC000152662267 655060836 /nfs/dbraw/zinc/06/08/36/655060836.db2.gz BGARUFRAZJASSK-UHFFFAOYSA-N 0 0 398.627 2.912 10 0 GFAERN C[C@@H](NC(=O)CNC(=O)OCC(F)(F)F)c1cccc(Br)c1 ZINC000104030620 655078021 /nfs/dbraw/zinc/07/80/21/655078021.db2.gz HTWIRXXBASFJBN-MRVPVSSYSA-N 0 0 383.164 2.915 10 0 GFAERN COCCN1CCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000106109322 655103011 /nfs/dbraw/zinc/10/30/11/655103011.db2.gz GBTLLCXQPDLULM-AWEZNQCLSA-N 0 0 388.339 2.604 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000106395529 655107752 /nfs/dbraw/zinc/10/77/52/655107752.db2.gz NAJVCSZORPWVRO-ZDUSSCGKSA-N 0 0 379.913 2.992 10 0 GFAERN CC(C)n1nnnc1CSc1nnc(-c2cc(Cl)ccc2Cl)n1N ZINC000107078252 655117208 /nfs/dbraw/zinc/11/72/08/655117208.db2.gz LSFZDGDVZRHARB-UHFFFAOYSA-N 0 0 385.284 2.825 10 0 GFAERN C[C@H]1CC[C@@H](C(=O)Oc2cc([N+](=O)[O-])ccc2I)O1 ZINC000160336050 655120935 /nfs/dbraw/zinc/12/09/35/655120935.db2.gz YJSNJMGVHLXWDS-XVKPBYJWSA-N 0 0 377.134 2.672 10 0 GFAERN CCN(CCS(C)(=O)=O)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000163508741 655135626 /nfs/dbraw/zinc/13/56/26/655135626.db2.gz ZVJSURHILOFPLW-NSHDSACASA-N 0 0 377.304 2.586 10 0 GFAERN COc1ccc(Br)c(C(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000109629403 655149185 /nfs/dbraw/zinc/14/91/85/655149185.db2.gz AAVGMWDUDZEJCS-UHFFFAOYSA-N 0 0 391.269 2.600 10 0 GFAERN Cn1cc([C@@H]2CCCN2Cn2nnn(-c3ccc(Cl)cc3)c2=S)cn1 ZINC000171362108 655151198 /nfs/dbraw/zinc/15/11/98/655151198.db2.gz FUDXPYXPIQWVQH-HNNXBMFYSA-N 0 0 375.889 2.980 10 0 GFAERN C[C@H]1CN(CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000171606141 655153097 /nfs/dbraw/zinc/15/30/97/655153097.db2.gz HXGBMZRGYFOEJL-MEDUHNTESA-N 0 0 398.326 2.611 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000109854590 655153546 /nfs/dbraw/zinc/15/35/46/655153546.db2.gz GNDCDBOQZIORDC-NSHDSACASA-N 0 0 379.258 2.786 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)CCc2cccs2)CC1 ZINC000171818748 655154090 /nfs/dbraw/zinc/15/40/90/655154090.db2.gz DXAIZTKYKFKWCS-UHFFFAOYSA-N 0 0 380.945 2.974 10 0 GFAERN CNC(=O)c1cncc(/C=C/C(=O)Oc2ccc(F)cc2Br)c1 ZINC000110168246 655155489 /nfs/dbraw/zinc/15/54/89/655155489.db2.gz BQDIRDJTSTXPJM-GORDUTHDSA-N 0 0 379.185 2.962 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)NCc2ccsc2)CC1 ZINC000172120641 655156502 /nfs/dbraw/zinc/15/65/02/655156502.db2.gz XXNKJECFAAEBKD-UHFFFAOYSA-N 0 0 381.933 2.725 10 0 GFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000172599631 655158876 /nfs/dbraw/zinc/15/88/76/655158876.db2.gz GOSXNFXPHYSTTD-ICCXJUOJSA-N 0 0 393.292 2.883 10 0 GFAERN O=C(CCc1nc(-c2cccs2)no1)N1CCO[C@@H](c2nccs2)C1 ZINC000110884582 655160993 /nfs/dbraw/zinc/16/09/93/655160993.db2.gz IJYWTDDUUFUGNC-LLVKDONJSA-N 0 0 376.463 2.787 10 0 GFAERN CCc1csc([C@@H]2CCCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C2)n1 ZINC000173283778 655167441 /nfs/dbraw/zinc/16/74/41/655167441.db2.gz VHPBSYIPYNQYFU-CYBMUJFWSA-N 0 0 387.571 2.808 10 0 GFAERN Cc1nnc([C@H]2CN(CCC(=O)Nc3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000173716729 655177637 /nfs/dbraw/zinc/17/76/37/655177637.db2.gz RQIVHBAAEIDVNN-CQSZACIVSA-N 0 0 384.267 2.822 10 0 GFAERN CCN(CC)C(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)CC1 ZINC000173871603 655183402 /nfs/dbraw/zinc/18/34/02/655183402.db2.gz LPMRXOKQIQKVCZ-CYBMUJFWSA-N 0 0 386.949 2.658 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(Br)c(F)c1 ZINC000112254256 655185795 /nfs/dbraw/zinc/18/57/95/655185795.db2.gz CRLVEWAJHHCZKK-ZDUSSCGKSA-N 0 0 394.262 2.698 10 0 GFAERN CCN(CC)c1nc2sc(C(=O)N[C@H]3CCc4ncnn4C3)cc2s1 ZINC000112656914 655194516 /nfs/dbraw/zinc/19/45/16/655194516.db2.gz LWKBZELCMIHAIK-JTQLQIEISA-N 0 0 376.511 2.540 10 0 GFAERN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000175709943 655225632 /nfs/dbraw/zinc/22/56/32/655225632.db2.gz AHHCJOMKZWSLTP-RISCZKNCSA-N 0 0 391.269 2.901 10 0 GFAERN COc1ccc(CN2CCCN(Cc3noc(C)n3)CC2)cc1Br ZINC000114803592 655229003 /nfs/dbraw/zinc/22/90/03/655229003.db2.gz VJTZVOLOYAYSLX-UHFFFAOYSA-N 0 0 395.301 2.857 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(Br)cc1C)CC2 ZINC000114964778 655231198 /nfs/dbraw/zinc/23/11/98/655231198.db2.gz PKYLJLRHIPGYNX-CQSZACIVSA-N 0 0 392.301 2.726 10 0 GFAERN CN1CCO[C@@H](CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000114959358 655231201 /nfs/dbraw/zinc/23/12/01/655231201.db2.gz VIYUYURPCFPFMG-SUMWQHHRSA-N 0 0 377.535 2.797 10 0 GFAERN Cc1cc(CCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1Br ZINC000176197803 655239439 /nfs/dbraw/zinc/23/94/39/655239439.db2.gz SJLUZXORSWBECT-CRAIPNDOSA-N 0 0 395.341 2.869 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)c3ccccc3I)C2)cn1 ZINC000116123479 655244443 /nfs/dbraw/zinc/24/44/43/655244443.db2.gz DHEZONZVXALADD-LLVKDONJSA-N 0 0 381.217 2.654 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)CCOc3cccc(Br)c3)C2)cn1 ZINC000116229279 655246635 /nfs/dbraw/zinc/24/66/35/655246635.db2.gz CDYFLNDSOMDPEZ-CYBMUJFWSA-N 0 0 378.270 2.968 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc(Br)cn3)C2)n1 ZINC000116779220 655253357 /nfs/dbraw/zinc/25/33/57/655253357.db2.gz CMCIRQRZFVUBQE-ZDUSSCGKSA-N 0 0 378.274 2.605 10 0 GFAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000176746389 655254726 /nfs/dbraw/zinc/25/47/26/655254726.db2.gz GMHGBRJQQBIPSK-LLVKDONJSA-N 0 0 380.779 2.764 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cc(OC)cs2)CC1 ZINC000176778199 655256357 /nfs/dbraw/zinc/25/63/57/655256357.db2.gz BVXVNLFVMRWBRK-UHFFFAOYSA-N 0 0 382.917 2.664 10 0 GFAERN Cc1cc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)sc1Br ZINC000176925677 655261821 /nfs/dbraw/zinc/26/18/21/655261821.db2.gz WKGBPCPLSZRNOV-SNVBAGLBSA-N 0 0 390.328 2.731 10 0 GFAERN Cc1cnn(CCNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)c1 ZINC000118080773 655271637 /nfs/dbraw/zinc/27/16/37/655271637.db2.gz ACSMEBFQXCMIDH-MRXNPFEDSA-N 0 0 393.285 2.737 10 0 GFAERN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177264617 655271764 /nfs/dbraw/zinc/27/17/64/655271764.db2.gz VOLZPUMEKDPVBJ-IGCXYCKISA-N 0 0 386.323 2.973 10 0 GFAERN O=C(CSC[C@@H](O)CO)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000177419551 655276144 /nfs/dbraw/zinc/27/61/44/655276144.db2.gz PXUXGRCIRKACHI-WCQYABFASA-N 0 0 382.532 2.574 10 0 GFAERN C[C@@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000178531925 655304171 /nfs/dbraw/zinc/30/41/71/655304171.db2.gz ANBLDJAIIXDKSF-LLVKDONJSA-N 0 0 389.315 2.634 10 0 GFAERN Cc1cc(N2CCC[C@@H](NCc3ccc(F)cc3Br)C2=O)n(C)n1 ZINC000178628344 655306301 /nfs/dbraw/zinc/30/63/01/655306301.db2.gz VMGIQMIQYXKYNE-OAHLLOKOSA-N 0 0 395.276 2.915 10 0 GFAERN CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000119567141 655307460 /nfs/dbraw/zinc/30/74/60/655307460.db2.gz XEZNSBOTHHWXNI-KRWDZBQOSA-N 0 0 383.466 2.585 10 0 GFAERN CCO[C@H]1C[C@@H](OC(=O)Cn2cc(Br)ccc2=O)C12CCCC2 ZINC000119711852 655312054 /nfs/dbraw/zinc/31/20/54/655312054.db2.gz YCJLRYIGPGYBDD-UONOGXRCSA-N 0 0 384.270 2.892 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)C[C@@H]1CC ZINC000119784064 655315238 /nfs/dbraw/zinc/31/52/38/655315238.db2.gz CGZYVSSRGXPLGJ-JTQLQIEISA-N 0 0 381.424 2.522 10 0 GFAERN COc1ccc([C@H](C)OC(=O)Cc2nc3ncccn3n2)c(Br)c1 ZINC000179953488 655320014 /nfs/dbraw/zinc/32/00/14/655320014.db2.gz LUAKAELFGASFDQ-JTQLQIEISA-N 0 0 391.225 2.742 10 0 GFAERN NC(=O)[C@H]1COCCN1C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 ZINC000180270815 655324740 /nfs/dbraw/zinc/32/47/40/655324740.db2.gz UCQGNMSYISTZNE-PMGBHYCQSA-N 0 0 376.865 2.794 10 0 GFAERN C[C@@H](NC(=O)NC[C@H]1COC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000180308609 655325195 /nfs/dbraw/zinc/32/51/95/655325195.db2.gz JZGXGEAHPAMYGH-DOMZBBRYSA-N 0 0 399.285 2.731 10 0 GFAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=c1cc(Cl)nc(N)[nH]1 ZINC000183533515 655352014 /nfs/dbraw/zinc/35/20/14/655352014.db2.gz OXECFCVYRFGCGH-LURJTMIESA-N 0 0 376.631 2.930 10 0 GFAERN C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000185115282 655362503 /nfs/dbraw/zinc/36/25/03/655362503.db2.gz OELCVNBYKVVRIX-WCQYABFASA-N 0 0 375.282 2.791 10 0 GFAERN C=C[C@H](C)OC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000187625585 655375679 /nfs/dbraw/zinc/37/56/79/655375679.db2.gz WTUSUKQDLCLKEG-XJKSGUPXSA-N 0 0 377.487 2.981 10 0 GFAERN CCc1nnc(CSc2nnc(-c3cc(Cl)ccc3Cl)n2N)n1C ZINC000194670321 655416957 /nfs/dbraw/zinc/41/69/57/655416957.db2.gz IZRRLRDYZYDNCS-UHFFFAOYSA-N 0 0 384.296 2.949 10 0 GFAERN O=S(=O)(/C=C\c1ccccc1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000255007534 655436455 /nfs/dbraw/zinc/43/64/55/655436455.db2.gz NQLPCGSADMODTK-BENRWUELSA-N 0 0 385.894 2.704 10 0 GFAERN CC(=O)N(CC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2Br)CC1 ZINC000262964345 655448214 /nfs/dbraw/zinc/44/82/14/655448214.db2.gz QSQRNFDQZGAPBI-HNNXBMFYSA-N 0 0 383.286 2.737 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000705697177 655522149 /nfs/dbraw/zinc/52/21/49/655522149.db2.gz UCUXILIVUFWKFR-HZMBPMFUSA-N 0 0 389.279 2.951 10 0 GFAERN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@H]1CCOC1 ZINC000929740816 664757065 /nfs/dbraw/zinc/75/70/65/664757065.db2.gz CCXHTUKBQNJMCO-CJAAZZPWSA-N 0 0 380.853 2.529 10 0 GFAERN O=C(CN1Cc2ccccc2O[C@H](c2ccccc2)C1)NCCn1cccn1 ZINC000014978177 210138066 /nfs/dbraw/zinc/13/80/66/210138066.db2.gz PTWQKJMWELVLMW-NRFANRHFSA-N 0 0 376.460 2.635 10 0 GFAERN COCC(=O)Nc1c2cc(NCC3CCCCC3)cnc2n(C)c1C(=O)OC ZINC000014532121 210119061 /nfs/dbraw/zinc/11/90/61/210119061.db2.gz NXGRFLCBTUTONB-UHFFFAOYSA-N 0 0 388.468 2.937 10 0 GFAERN CC[C@]1(OC(C)=O)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000013282468 210057555 /nfs/dbraw/zinc/05/75/55/210057555.db2.gz ASVIEXKOXDCZDF-QFIPXVFZSA-N 0 0 390.395 2.650 10 0 biogenic,in-vitro GFAERN Cc1c(Cl)cccc1NC(=O)CCC(=O)NN1C(=O)c2ccccc2C1=O ZINC000006184579 209635798 /nfs/dbraw/zinc/63/57/98/209635798.db2.gz JQNRBPFRQDEHDZ-UHFFFAOYSA-N 0 0 385.807 2.695 10 0 GFAERN CC(C)COc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)N2CCOCC2)cc1 ZINC000001070826 209297104 /nfs/dbraw/zinc/29/71/04/209297104.db2.gz KAMBCTKFOUPVJU-XSFVSMFZSA-N 0 0 398.459 2.944 10 0 GFAERN O=c1cc(-c2ccccc2)nc(-c2ccc(OCCN3CCOCC3)cc2)[nH]1 ZINC000090660643 209236885 /nfs/dbraw/zinc/23/68/85/209236885.db2.gz SIPRJBPDHDXJRW-UHFFFAOYSA-N 0 0 377.444 2.815 10 0 GFAERN CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(-n3ccnc3)c2)s1 ZINC000003817550 209229869 /nfs/dbraw/zinc/22/98/69/209229869.db2.gz SQWAXHGWLCYBIN-UHFFFAOYSA-N 0 0 376.463 2.666 10 0 GFAERN O=C1Nc2c3c1cccc3c(S(=O)(=O)N1CCCC1)cc2Br ZINC000035686183 209182567 /nfs/dbraw/zinc/18/25/67/209182567.db2.gz MIQAOMVNJUGKHM-UHFFFAOYSA-N 0 0 381.251 2.953 10 0 GFAERN CC(C)Cc1n[nH]c2c1CN(C(=O)CCc1nc(-c3cccnc3)no1)CC2 ZINC000023479031 209176168 /nfs/dbraw/zinc/17/61/68/209176168.db2.gz FOVWUVCFSVTAMJ-UHFFFAOYSA-N 0 0 380.452 2.571 10 0 GFAERN Cc1c2nc(C)nc(Nc3ccc(C(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2nn1C ZINC000041070263 211392963 /nfs/dbraw/zinc/39/29/63/211392963.db2.gz OHOWHKLTTNFDAB-STQMWFEESA-N 0 0 394.479 2.973 10 0 GFAERN O=C(NCCc1ccccc1)[C@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000096398470 211341250 /nfs/dbraw/zinc/34/12/50/211341250.db2.gz JSZCCTFVYLFHHR-KRWDZBQOSA-N 0 0 398.528 2.684 10 0 GFAERN CC(=O)NCc1csc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000096372714 211335956 /nfs/dbraw/zinc/33/59/56/211335956.db2.gz APZUQFHZWNZJQL-OAHLLOKOSA-N 0 0 375.469 2.867 10 0 GFAERN O=C(Cc1cnc[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000095503525 211256119 /nfs/dbraw/zinc/25/61/19/211256119.db2.gz XQABAAPOVCVELM-SFHVURJKSA-N 0 0 391.431 2.769 10 0 GFAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1ncc(Cl)cn1 ZINC000095086725 211220631 /nfs/dbraw/zinc/22/06/31/211220631.db2.gz NBOSHLYBCPFCKR-LBPRGKRZSA-N 0 0 375.878 2.693 10 0 GFAERN O=C(Cc1cnc2ccccn12)NCc1cccnc1-n1cnc2ccccc21 ZINC000067713941 211016886 /nfs/dbraw/zinc/01/68/86/211016886.db2.gz AOQNVYHJFPRLBG-UHFFFAOYSA-N 0 0 382.427 2.927 10 0 GFAERN O=C(NCCc1ccccc1)[C@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000065259611 210981076 /nfs/dbraw/zinc/98/10/76/210981076.db2.gz YOQMXMDORZZTFK-LJQANCHMSA-N 0 0 390.549 2.720 10 0 GFAERN COCCN1c2ccccc2[C@@]2(SCCN2C(=O)c2ccc(OC)cc2)C1=O ZINC000036166659 210713334 /nfs/dbraw/zinc/71/33/34/210713334.db2.gz WHIWMWPJMBKDHS-OAQYLSRUSA-N 0 0 398.484 2.730 10 0 GFAERN O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(C2CC2)C3=O)C1)N1CCCCC1 ZINC000012247568 210457830 /nfs/dbraw/zinc/45/78/30/210457830.db2.gz XMOQATVJWWDFTM-OAHLLOKOSA-N 0 0 381.476 2.674 10 0 GFAERN CC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1Cn1nc(C)cc1C ZINC000021093214 210376265 /nfs/dbraw/zinc/37/62/65/210376265.db2.gz CMJXLORWGGRFQU-OAHLLOKOSA-N 0 0 377.242 2.829 10 0 GFAERN c1ccc(CN2CCN(Cc3nnc(-c4ccc5c(c4)OCO5)o3)CC2)cc1 ZINC000020177776 210322626 /nfs/dbraw/zinc/32/26/26/210322626.db2.gz KVJUEOQTQUAPIV-UHFFFAOYSA-N 0 0 378.432 2.783 10 0 GFAERN O=C(c1cc(C2CC2)on1)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000055108122 132443618 /nfs/dbraw/zinc/44/36/18/132443618.db2.gz XARQHZHCMSHRLV-IBGZPJMESA-N 0 0 380.492 2.979 10 0 GFAERN Cc1cccc(CNC(=O)C2CCN(c3nc4ccccc4n(C)c3=O)CC2)c1 ZINC000064873777 136158126 /nfs/dbraw/zinc/15/81/26/136158126.db2.gz QIHFBSDSXIGCCD-UHFFFAOYSA-N 0 0 390.487 2.775 10 0 GFAERN O=C(Nc1cnn(-c2ncncc2N2CCOCC2)c1)Nc1ccc(Cl)cc1 ZINC000065283141 136162499 /nfs/dbraw/zinc/16/24/99/136162499.db2.gz JAPVCCIVLULNKI-UHFFFAOYSA-N 0 0 399.842 2.796 10 0 GFAERN Cc1cnn(CCNC(=O)c2nc(Br)ccc2Br)c1 ZINC000191893264 552541498 /nfs/dbraw/zinc/54/14/98/552541498.db2.gz PQPRLKFEZWOJSO-UHFFFAOYSA-N 0 0 388.063 2.542 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000028271599 551123855 /nfs/dbraw/zinc/12/38/55/551123855.db2.gz NQRLWEFOKCNHBN-ZDUSSCGKSA-N 0 0 380.388 2.728 10 0 GFAERN CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000056942914 551178714 /nfs/dbraw/zinc/17/87/14/551178714.db2.gz JEPUPNZSMGOQPI-LLVKDONJSA-N 0 0 379.885 2.511 10 0 GFAERN C[C@@H](NC(=O)NCc1cccc(S(N)(=O)=O)c1)c1ccc(F)c(Cl)c1 ZINC000056942981 551178844 /nfs/dbraw/zinc/17/88/44/551178844.db2.gz ZDHBZUFFSZIDGN-SNVBAGLBSA-N 0 0 385.848 2.687 10 0 GFAERN C[C@H](NC(=O)NCc1cccc(S(N)(=O)=O)c1)c1ccc(F)c(Cl)c1 ZINC000056942980 551178862 /nfs/dbraw/zinc/17/88/62/551178862.db2.gz ZDHBZUFFSZIDGN-JTQLQIEISA-N 0 0 385.848 2.687 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccc(F)c(Cl)c1 ZINC000057022176 551179965 /nfs/dbraw/zinc/17/99/65/551179965.db2.gz QKSUDDXZGDWGEI-SECBINFHSA-N 0 0 384.816 2.964 10 0 GFAERN Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NS(=O)(=O)c2ccccc2)s1 ZINC000097112794 551196406 /nfs/dbraw/zinc/19/64/06/551196406.db2.gz TVBDDQZLQPHVPI-DZKIICNBSA-N 0 0 376.503 2.638 10 0 GFAERN CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000116328362 551212361 /nfs/dbraw/zinc/21/23/61/551212361.db2.gz ZHMNYQRZPUQRKV-CQSZACIVSA-N 0 0 381.519 2.833 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(F)c(Cl)c1 ZINC000116331196 551212412 /nfs/dbraw/zinc/21/24/12/551212412.db2.gz IEIZHURTUOBKGN-JTQLQIEISA-N 0 0 382.844 2.805 10 0 GFAERN CCOCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C ZINC000117368752 551214047 /nfs/dbraw/zinc/21/40/47/551214047.db2.gz HHXHMHDTUPSTML-LBPRGKRZSA-N 0 0 381.325 2.725 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(C)c(Br)cc2C)n1 ZINC000121128952 551228038 /nfs/dbraw/zinc/22/80/38/551228038.db2.gz LAOKEWTXADVCKC-AWEZNQCLSA-N 0 0 380.242 2.971 10 0 GFAERN O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@@H]1Cn1ccnc1 ZINC000121423053 551234276 /nfs/dbraw/zinc/23/42/76/551234276.db2.gz JVEZABYTMCIRAL-UKRRQHHQSA-N 0 0 376.254 2.813 10 0 GFAERN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1nnc2n1CCCC2 ZINC000121704607 551240132 /nfs/dbraw/zinc/24/01/32/551240132.db2.gz CRYRJLOXALYUKA-SECBINFHSA-N 0 0 375.281 2.961 10 0 GFAERN Cc1cc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCC3)ccc1Br ZINC000121757862 551241894 /nfs/dbraw/zinc/24/18/94/551241894.db2.gz VPZKRPMYBHBIDQ-LLVKDONJSA-N 0 0 399.314 2.725 10 0 GFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000121768692 551242224 /nfs/dbraw/zinc/24/22/24/551242224.db2.gz XOIPVPXMPWCTIM-JTQLQIEISA-N 0 0 382.873 2.510 10 0 GFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccc(F)c1I ZINC000123617507 551307418 /nfs/dbraw/zinc/30/74/18/551307418.db2.gz OEYSKVDXOMYATD-MRVPVSSYSA-N 0 0 378.185 2.530 10 0 GFAERN C[C@@H](NC(=O)COc1ccccc1Br)c1nnc2n1CCCC2 ZINC000124287157 551312891 /nfs/dbraw/zinc/31/28/91/551312891.db2.gz UIMVKTWUPUHNJF-LLVKDONJSA-N 0 0 379.258 2.633 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(I)c1C ZINC000124368766 551314047 /nfs/dbraw/zinc/31/40/47/551314047.db2.gz DPXKUFIDYDYUAJ-CYBMUJFWSA-N 0 0 396.232 2.764 10 0 GFAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000125188379 551320540 /nfs/dbraw/zinc/32/05/40/551320540.db2.gz FTMYFVCAKAPSLY-UHFFFAOYSA-N 0 0 381.885 2.877 10 0 GFAERN C[C@H](Sc1nc2ccccc2s1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000126442966 551330085 /nfs/dbraw/zinc/33/00/85/551330085.db2.gz KYTNMWRJGBKJQP-UONOGXRCSA-N 0 0 377.535 2.710 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000127224292 551338350 /nfs/dbraw/zinc/33/83/50/551338350.db2.gz XKXZAEGHJFAUIT-CQSZACIVSA-N 0 0 378.416 2.934 10 0 GFAERN C[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000128332129 551349169 /nfs/dbraw/zinc/34/91/69/551349169.db2.gz SNSMSOSFERRDGA-MWLCHTKSSA-N 0 0 394.294 2.886 10 0 GFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000130437764 551364992 /nfs/dbraw/zinc/36/49/92/551364992.db2.gz PABJPWHEJWKEDZ-GFCCVEGCSA-N 0 0 393.285 2.793 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Br)cc1C ZINC000133424399 551382747 /nfs/dbraw/zinc/38/27/47/551382747.db2.gz OHFYCIXQENNMCE-LBPRGKRZSA-N 0 0 399.314 2.725 10 0 GFAERN O=C(N[C@H]1CCCn2ncnc21)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000152834317 551440767 /nfs/dbraw/zinc/44/07/67/551440767.db2.gz FPQRIAHZZBVPNB-AWEZNQCLSA-N 0 0 384.267 2.624 10 0 GFAERN CC(=O)N[C@@H]1CCCN(Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000153822571 551461238 /nfs/dbraw/zinc/46/12/38/551461238.db2.gz FLVMLEQSFMWJLZ-CQSZACIVSA-N 0 0 383.286 2.711 10 0 GFAERN CN1CCO[C@@H](CNC(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000154578039 551478511 /nfs/dbraw/zinc/47/85/11/551478511.db2.gz OWBBFLCVEGDNCQ-AWEZNQCLSA-N 0 0 397.317 2.501 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(Cl)s1 ZINC000154814306 551483326 /nfs/dbraw/zinc/48/33/26/551483326.db2.gz NRWCRDAUVIWGPW-QMMMGPOBSA-N 0 0 397.902 2.984 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000154850763 551484174 /nfs/dbraw/zinc/48/41/74/551484174.db2.gz MLGSOGSHHBCVJK-INIZCTEOSA-N 0 0 384.929 2.692 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(Cl)cc1Cl ZINC000155159706 551493066 /nfs/dbraw/zinc/49/30/66/551493066.db2.gz DAYMPRKDHWQJLV-LBPRGKRZSA-N 0 0 385.251 2.761 10 0 GFAERN COc1ccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)cc1Br ZINC000155203224 551493945 /nfs/dbraw/zinc/49/39/45/551493945.db2.gz TWDCHNXNRIRVQV-OAHLLOKOSA-N 0 0 380.286 2.864 10 0 GFAERN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1Br)CN1CCOCC1 ZINC000155274613 551496276 /nfs/dbraw/zinc/49/62/76/551496276.db2.gz SPZWIDLRTXCQRI-KGLIPLIRSA-N 0 0 384.318 2.778 10 0 GFAERN C[C@H](CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)N1CCOCC1 ZINC000156514430 551524005 /nfs/dbraw/zinc/52/40/05/551524005.db2.gz IUZIITMHMPFLKP-SNVBAGLBSA-N 0 0 395.219 2.918 10 0 GFAERN C[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@H]1N1CCOCC1 ZINC000156536421 551524612 /nfs/dbraw/zinc/52/46/12/551524612.db2.gz NCDNHSKTJOCRKU-BLLLJJGKSA-N 0 0 392.297 2.723 10 0 GFAERN O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000156591336 551525579 /nfs/dbraw/zinc/52/55/79/551525579.db2.gz WOVGVKKIJHYZIW-CVEARBPZSA-N 0 0 391.265 2.961 10 0 GFAERN CC(C)OCCS(=O)(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000157258349 551536007 /nfs/dbraw/zinc/53/60/07/551536007.db2.gz WOWAIXHCEJGIGX-HUUCEWRRSA-N 0 0 381.416 2.568 10 0 GFAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000158892180 551558448 /nfs/dbraw/zinc/55/84/48/551558448.db2.gz CYRNKKAOKHMSKH-SNVBAGLBSA-N 0 0 380.278 2.607 10 0 GFAERN Cn1nccc1C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000159305787 551563635 /nfs/dbraw/zinc/56/36/35/551563635.db2.gz MPPQXYLAKNKBKN-UHFFFAOYSA-N 0 0 375.281 2.690 10 0 GFAERN CN(C(=O)c1ccc(Br)c(O)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000161803884 551598945 /nfs/dbraw/zinc/59/89/45/551598945.db2.gz WUYSVNMDLDZMPK-CYBMUJFWSA-N 0 0 391.269 2.686 10 0 GFAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000162742837 551612090 /nfs/dbraw/zinc/61/20/90/551612090.db2.gz XXRFGDURVZBZLR-AWEZNQCLSA-N 0 0 397.269 2.675 10 0 GFAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000162753577 551612282 /nfs/dbraw/zinc/61/22/82/551612282.db2.gz SRWURNVROQTQIE-LLVKDONJSA-N 0 0 379.627 2.749 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1ccc(Br)nc1)CC2 ZINC000165860920 551630267 /nfs/dbraw/zinc/63/02/67/551630267.db2.gz WPRKNYDESJWKQQ-LLVKDONJSA-N 0 0 379.262 2.696 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000171049851 551645218 /nfs/dbraw/zinc/64/52/18/551645218.db2.gz FUDRNFPGKMBWKI-CBAPKCEASA-N 0 0 384.255 2.818 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000171073994 551645516 /nfs/dbraw/zinc/64/55/16/551645516.db2.gz CNXWDPGQEGKAMX-HZMBPMFUSA-N 0 0 391.320 2.919 10 0 GFAERN CCn1cc(Br)cc1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000171299893 551652097 /nfs/dbraw/zinc/65/20/97/551652097.db2.gz YEURCPPYVUAUMZ-GFCCVEGCSA-N 0 0 380.290 2.730 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)CCS1 ZINC000171470334 551656140 /nfs/dbraw/zinc/65/61/40/551656140.db2.gz PNWMJTUHWNLOGW-SNVBAGLBSA-N 0 0 375.416 2.674 10 0 GFAERN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCS[C@@H](C)C2)c1 ZINC000171575426 551658540 /nfs/dbraw/zinc/65/85/40/551658540.db2.gz LAWASBRHBYQBQV-LBPRGKRZSA-N 0 0 390.958 2.946 10 0 GFAERN C[C@H]1CN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CCS1 ZINC000171569514 551658669 /nfs/dbraw/zinc/65/86/69/551658669.db2.gz BBWGCLGGHPOCMO-JTQLQIEISA-N 0 0 389.290 2.672 10 0 GFAERN C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)CCS1 ZINC000171733907 551662239 /nfs/dbraw/zinc/66/22/39/551662239.db2.gz LIDHDEAEEKLLCQ-PBHICJAKSA-N 0 0 383.945 2.860 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000173006641 551692117 /nfs/dbraw/zinc/69/21/17/551692117.db2.gz IXIZWHZFEPNODQ-GFCCVEGCSA-N 0 0 382.302 2.824 10 0 GFAERN C[C@@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000173399135 552085329 /nfs/dbraw/zinc/08/53/29/552085329.db2.gz CAYARQZSHZSNIF-SNVBAGLBSA-N 0 0 381.263 2.916 10 0 GFAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000173607953 552088696 /nfs/dbraw/zinc/08/86/96/552088696.db2.gz YOWDOQOZFYAIHO-LLVKDONJSA-N 0 0 392.714 2.992 10 0 GFAERN C[C@@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1cccc(Br)c1 ZINC000173773674 552091243 /nfs/dbraw/zinc/09/12/43/552091243.db2.gz DTDVDUGDUNRSKE-CJNGLKHVSA-N 0 0 382.302 2.626 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccccc1Br ZINC000173841579 552093571 /nfs/dbraw/zinc/09/35/71/552093571.db2.gz ABWXYXPILHAATO-ZDUSSCGKSA-N 0 0 384.299 2.807 10 0 GFAERN Cc1cc(CCC(=O)N2CCO[C@@H](Cn3cccn3)C2)ccc1Br ZINC000176054545 552135095 /nfs/dbraw/zinc/13/50/95/552135095.db2.gz ILPFPVPQOKCAJU-MRXNPFEDSA-N 0 0 392.297 2.814 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000176677631 552143459 /nfs/dbraw/zinc/14/34/59/552143459.db2.gz NAWXEKNGDFYQDM-LBPRGKRZSA-N 0 0 389.257 2.744 10 0 GFAERN CN(Cc1cc(Cl)cn1C)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000177164957 552150610 /nfs/dbraw/zinc/15/06/10/552150610.db2.gz KDZZUORLGWLRDJ-HNNXBMFYSA-N 0 0 381.885 2.739 10 0 GFAERN O=C(NCCc1ccc(F)c(Br)c1)N[C@H]1CCCn2ncnc21 ZINC000177312424 552152748 /nfs/dbraw/zinc/15/27/48/552152748.db2.gz MXOXKWNBQOOHIR-ZDUSSCGKSA-N 0 0 382.237 2.557 10 0 GFAERN COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cccs2)c(Br)o1 ZINC000177479623 552155287 /nfs/dbraw/zinc/15/52/87/552155287.db2.gz BOMLFAARMNNOTA-SSDOTTSWSA-N 0 0 394.268 2.930 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1csc(I)c1 ZINC000177724955 552157531 /nfs/dbraw/zinc/15/75/31/552157531.db2.gz OFUKLBFEOBOCRU-VIFPVBQESA-N 0 0 388.234 2.518 10 0 GFAERN O=C(N[C@H](CO)c1cccc(Br)c1)N[C@H]1COc2ccccc21 ZINC000178032453 552162803 /nfs/dbraw/zinc/16/28/03/552162803.db2.gz NUTZLEHLYCBVAM-CABCVRRESA-N 0 0 377.238 2.915 10 0 GFAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178333477 552169255 /nfs/dbraw/zinc/16/92/55/552169255.db2.gz SERAXEBWSNKTHV-SJCJKPOMSA-N 0 0 382.254 2.945 10 0 GFAERN Cc1csc(CNC(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)n1 ZINC000178487032 552171405 /nfs/dbraw/zinc/17/14/05/552171405.db2.gz WDILXLCAOZPAAB-KGLIPLIRSA-N 0 0 380.539 2.774 10 0 GFAERN COc1cc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)sc1Br ZINC000179252600 552187946 /nfs/dbraw/zinc/18/79/46/552187946.db2.gz KTEDSJZTIAGCMG-VIFPVBQESA-N 0 0 399.314 2.979 10 0 GFAERN COc1ccc(C(=O)N[C@H]2CCCC[C@H]2CO)cc1I ZINC000179244996 552188023 /nfs/dbraw/zinc/18/80/23/552188023.db2.gz MOEUTHAOLXKDPI-AAEUAGOBSA-N 0 0 389.233 2.581 10 0 GFAERN O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC(Cn2cccn2)CC1 ZINC000179365490 552191404 /nfs/dbraw/zinc/19/14/04/552191404.db2.gz OEWNHGPENAXSEI-UHFFFAOYSA-N 0 0 379.873 2.514 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC000179836324 552204427 /nfs/dbraw/zinc/20/44/27/552204427.db2.gz CEUVASSZEQBHIR-QGZVFWFLSA-N 0 0 379.913 2.873 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)Cc1csc(-c2ccccc2F)n1 ZINC000180055944 552210937 /nfs/dbraw/zinc/21/09/37/552210937.db2.gz QXIMCVRVGQIUSH-UHFFFAOYSA-N 0 0 380.470 2.984 10 0 GFAERN Cc1nc(S(=O)(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)sc1Br ZINC000180104588 552213108 /nfs/dbraw/zinc/21/31/08/552213108.db2.gz OTNSPZNWHUQOOG-MRVPVSSYSA-N 0 0 399.332 2.565 10 0 GFAERN C[C@@H](C(=O)N[C@H]1CCCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000180145373 552214862 /nfs/dbraw/zinc/21/48/62/552214862.db2.gz HOQBKQYBVMEUMZ-UWVGGRQHSA-N 0 0 385.247 2.663 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)[C@H](C)c2nc(-c3cccs3)no2)n1C ZINC000182374692 552282105 /nfs/dbraw/zinc/28/21/05/552282105.db2.gz WGWMMJJDNKKNKD-SNVBAGLBSA-N 0 0 381.483 2.726 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3cccc(Br)n3)CC2)s1 ZINC000182613389 552288980 /nfs/dbraw/zinc/28/89/80/552288980.db2.gz CZEKWTRQUHSZNN-UHFFFAOYSA-N 0 0 381.299 2.567 10 0 GFAERN O=C(CNC(=O)NC1(c2cccc(Br)c2)CCC1)NCC1CC1 ZINC000182691832 552290748 /nfs/dbraw/zinc/29/07/48/552290748.db2.gz NNWFHLGZHQLOQE-UHFFFAOYSA-N 0 0 380.286 2.654 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)n1 ZINC000183758841 552318778 /nfs/dbraw/zinc/31/87/78/552318778.db2.gz CEDKNNQHNHTRKC-AWEZNQCLSA-N 0 0 391.225 2.836 10 0 GFAERN O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(Cl)cc1OC(F)F ZINC000184395936 552334643 /nfs/dbraw/zinc/33/46/43/552334643.db2.gz ZQZGGAJVVVNYBN-LBPRGKRZSA-N 0 0 377.819 2.910 10 0 GFAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000186757743 552396888 /nfs/dbraw/zinc/39/68/88/552396888.db2.gz OCNDDUMVHAPJNE-AWEZNQCLSA-N 0 0 382.917 2.637 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)nc2Br)C12CCOCC2 ZINC000187146763 552407678 /nfs/dbraw/zinc/40/76/78/552407678.db2.gz NWEBCCZWMKJKGK-UONOGXRCSA-N 0 0 383.286 2.857 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000187467798 552416560 /nfs/dbraw/zinc/41/65/60/552416560.db2.gz UDIFRMNASXHWBR-CYBMUJFWSA-N 0 0 399.314 2.725 10 0 GFAERN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187714270 552422596 /nfs/dbraw/zinc/42/25/96/552422596.db2.gz AZTCHPCUQWHORH-WFASDCNBSA-N 0 0 399.921 2.653 10 0 GFAERN O=c1[nH]c(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)nc2ccc(Cl)cc12 ZINC000188150431 552437159 /nfs/dbraw/zinc/43/71/59/552437159.db2.gz UWEGBFZKBMBVER-WFASDCNBSA-N 0 0 375.881 2.846 10 0 GFAERN O=C(NC1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1)C1CCC1 ZINC000188473123 552445933 /nfs/dbraw/zinc/44/59/33/552445933.db2.gz HDFNUGVHWFSZBJ-UHFFFAOYSA-N 0 0 391.309 2.998 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(Br)ncc3Cl)CCO2)c1 ZINC000188865016 552457007 /nfs/dbraw/zinc/45/70/07/552457007.db2.gz YGGWWNNYWRKMJM-NSHDSACASA-N 0 0 399.676 2.544 10 0 GFAERN O=S(=O)(c1cc(F)ccc1Cl)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188871801 552457369 /nfs/dbraw/zinc/45/73/69/552457369.db2.gz GOXAAKCMLIYOAE-AAEUAGOBSA-N 0 0 375.874 2.937 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000189233324 552466511 /nfs/dbraw/zinc/46/65/11/552466511.db2.gz RFTCBIIBQUCWID-GFCCVEGCSA-N 0 0 377.897 2.667 10 0 GFAERN O=C(Nc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190153963 552488780 /nfs/dbraw/zinc/48/87/80/552488780.db2.gz HRGLYFRJPZTDKS-CQSZACIVSA-N 0 0 377.242 2.865 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@@H]1C ZINC000190678743 552505828 /nfs/dbraw/zinc/50/58/28/552505828.db2.gz RBZLKRWNMUUXKO-VHSXEESVSA-N 0 0 392.244 2.646 10 0 GFAERN CCOC(=O)[C@@H](C)N(C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000190850924 552511047 /nfs/dbraw/zinc/51/10/47/552511047.db2.gz VFXZEWHYSFJGNC-DOMZBBRYSA-N 0 0 386.286 2.605 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000191824951 552539542 /nfs/dbraw/zinc/53/95/42/552539542.db2.gz AKQJJKCDOFPTMK-HNNXBMFYSA-N 0 0 384.885 2.612 10 0 GFAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000191932077 552543223 /nfs/dbraw/zinc/54/32/23/552543223.db2.gz CXLBVGIREGTWEA-MWLCHTKSSA-N 0 0 376.272 2.606 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000192145154 552553099 /nfs/dbraw/zinc/55/30/99/552553099.db2.gz DSKPCWUCTNHDOZ-LLVKDONJSA-N 0 0 387.249 2.599 10 0 GFAERN CCCCCS(=O)(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192232897 552557147 /nfs/dbraw/zinc/55/71/47/552557147.db2.gz AUYIILJZIYZDDQ-INIZCTEOSA-N 0 0 376.563 2.634 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ncc(Br)s3)C2)n1 ZINC000192424748 552563033 /nfs/dbraw/zinc/56/30/33/552563033.db2.gz LMGFHSQZEUIWCG-LLVKDONJSA-N 0 0 384.303 2.666 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000193587875 552997792 /nfs/dbraw/zinc/99/77/92/552997792.db2.gz NBIIDWUMKXKGQU-OCCSQVGLSA-N 0 0 391.269 2.558 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3cc(F)c(F)cc3F)CCO2)n1 ZINC000193947061 553007467 /nfs/dbraw/zinc/00/74/67/553007467.db2.gz HISRKRFCBUHEGW-LBPRGKRZSA-N 0 0 378.397 2.631 10 0 GFAERN COCCCCS(=O)(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193954605 553008264 /nfs/dbraw/zinc/00/82/64/553008264.db2.gz BHZBZYWMJDCIKE-CYBMUJFWSA-N 0 0 376.544 2.570 10 0 GFAERN COc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)cc(OC)c1Br ZINC000195082536 553037325 /nfs/dbraw/zinc/03/73/25/553037325.db2.gz IKZOEJPOKODHNW-CYBMUJFWSA-N 0 0 383.286 2.777 10 0 GFAERN C[C@@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)c1cccc(Br)c1 ZINC000195492173 553050989 /nfs/dbraw/zinc/05/09/89/553050989.db2.gz ISNAXQSNWHHXRG-LLVKDONJSA-N 0 0 397.294 2.729 10 0 GFAERN O=S(=O)(N[C@H]1CCCC[C@@H]1CO)c1ccc(Cl)c(Br)c1 ZINC000236497857 553069441 /nfs/dbraw/zinc/06/94/41/553069441.db2.gz XTQHCDAOCAEPND-RNCFNFMXSA-N 0 0 382.707 2.932 10 0 GFAERN Cc1nc(C[C@@H]2CCCN([C@@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000245763818 553097199 /nfs/dbraw/zinc/09/71/99/553097199.db2.gz JAHPWTIKCLKUEF-BLLLJJGKSA-N 0 0 393.285 2.622 10 0 GFAERN Cc1nc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)sc1Br ZINC000246308298 553105877 /nfs/dbraw/zinc/10/58/77/553105877.db2.gz MBGLWDLIWGLTHY-ZJUUUORDSA-N 0 0 381.317 2.546 10 0 GFAERN O=S(=O)(c1c(F)cccc1F)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246495823 553108844 /nfs/dbraw/zinc/10/88/44/553108844.db2.gz AXSSUWGRVQSRGR-BONVTDFDSA-N 0 0 375.343 2.740 10 0 GFAERN CC[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246720941 553112218 /nfs/dbraw/zinc/11/22/18/553112218.db2.gz DQHMTRHKJDSORC-WMLDXEAASA-N 0 0 395.341 2.784 10 0 GFAERN CC(=O)N[C@H](CC(=O)NC[C@H]1CCCC[C@H]1O)c1ccc(Br)cc1 ZINC000247134638 553119035 /nfs/dbraw/zinc/11/90/35/553119035.db2.gz XLMWKWOYSCOIMP-DJIMGWMZSA-N 0 0 397.313 2.684 10 0 GFAERN O=S(=O)(c1ccc(C(F)(F)F)nc1)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249192009 553140958 /nfs/dbraw/zinc/14/09/58/553140958.db2.gz AJSIIEFHJDYLHN-WCQYABFASA-N 0 0 392.424 2.559 10 0 GFAERN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249269903 553141728 /nfs/dbraw/zinc/14/17/28/553141728.db2.gz JCZJCAZKESCBHK-UWVGGRQHSA-N 0 0 395.399 2.701 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000262401493 553170525 /nfs/dbraw/zinc/17/05/25/553170525.db2.gz AUWXKDSNHZIRAO-LLVKDONJSA-N 0 0 395.308 2.553 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000262686348 553173929 /nfs/dbraw/zinc/17/39/29/553173929.db2.gz CMDYHEVASGWKTJ-UHFFFAOYSA-N 0 0 385.291 2.980 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2sc(-c3cccs3)nc2C)C1 ZINC000262694304 553173946 /nfs/dbraw/zinc/17/39/46/553173946.db2.gz FRDNNTLDUHTOCH-UHFFFAOYSA-N 0 0 379.507 2.847 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2cc(F)cc(Br)c2)C1 ZINC000262687362 553174075 /nfs/dbraw/zinc/17/40/75/553174075.db2.gz CZISWUHJYKHMLW-UHFFFAOYSA-N 0 0 399.260 2.646 10 0 GFAERN CSc1ccccc1NC(=O)CC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262900520 553178299 /nfs/dbraw/zinc/17/82/99/553178299.db2.gz DPBADYJHXNHIDQ-GHMZBOCLSA-N 0 0 376.400 2.932 10 0 GFAERN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CC(F)(F)CN1 ZINC000263283148 553185423 /nfs/dbraw/zinc/18/54/23/553185423.db2.gz UOBCXCKDNDOSIZ-UKRRQHHQSA-N 0 0 375.822 2.557 10 0 GFAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000282084620 563397042 /nfs/dbraw/zinc/39/70/42/563397042.db2.gz LRAYYBKSKOLVFW-RDDDGLTNSA-N 0 0 390.075 2.609 10 0 GFAERN COc1cc(OC)cc(N2CC[C@@H](N(C)c3ncc(Br)cn3)C2)c1 ZINC000301484926 563405169 /nfs/dbraw/zinc/40/51/69/563405169.db2.gz GVZZXDMSAUHZPD-CYBMUJFWSA-N 0 0 393.285 2.971 10 0 GFAERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(C(=O)Nc3nncs3)cn2)C1 ZINC000301520312 563406044 /nfs/dbraw/zinc/40/60/44/563406044.db2.gz DBBKTRJJWAXBNA-YGCGCYASSA-N 0 0 379.511 2.677 10 0 GFAERN CCCc1nnc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000301654904 563409495 /nfs/dbraw/zinc/40/94/95/563409495.db2.gz HQJBIFRPTSIMSH-UHFFFAOYSA-N 0 0 386.930 2.655 10 0 GFAERN O=C(NC1CCOCC1)c1ccc(Oc2ccc(Br)cc2)nn1 ZINC000301739873 563411725 /nfs/dbraw/zinc/41/17/25/563411725.db2.gz UAQVWEOFRBHPPN-UHFFFAOYSA-N 0 0 378.226 2.940 10 0 GFAERN CS(=O)(=O)CC1(CNc2nc(-c3cccc(Cl)c3)no2)CCOCC1 ZINC000301828971 563413058 /nfs/dbraw/zinc/41/30/58/563413058.db2.gz GPDZDNIUOHOQOI-UHFFFAOYSA-N 0 0 385.873 2.643 10 0 GFAERN O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000389135852 563521012 /nfs/dbraw/zinc/52/10/12/563521012.db2.gz FZHOCPWVYRZTAQ-ABAIWWIYSA-N 0 0 392.290 2.904 10 0 GFAERN C[C@H]1C[C@H](O)CN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000401703983 563534991 /nfs/dbraw/zinc/53/49/91/563534991.db2.gz POQZJMLWNMJURE-WPRPVWTQSA-N 0 0 379.625 2.788 10 0 GFAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1scc(Br)c1Br ZINC000529274840 564827611 /nfs/dbraw/zinc/82/76/11/564827611.db2.gz JABUFZKJYRHEMC-CAHLUQPWSA-N 0 0 396.104 2.670 10 0 GFAERN O=C(c1cccc(F)c1I)N1CCC[C@H]1CCCO ZINC000537503476 565058862 /nfs/dbraw/zinc/05/88/62/565058862.db2.gz NDOUNGNIGRKMRH-JTQLQIEISA-N 0 0 377.197 2.807 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)Nc1cnn(C)c1)CC2 ZINC000275469097 570694165 /nfs/dbraw/zinc/69/41/65/570694165.db2.gz AIXZPTNSOYERES-KRWDZBQOSA-N 0 0 387.509 2.917 10 0 GFAERN CC[C@@H](C(=O)NC1CC1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000006944731 570715893 /nfs/dbraw/zinc/71/58/93/570715893.db2.gz MYMFJHKVXIHESH-KRWDZBQOSA-N 0 0 379.464 2.737 10 0 GFAERN CNC(=O)N1CCC(n2c(C)nc(C(=O)Nc3cccc(OC)c3)c2C)CC1 ZINC000065257440 570756595 /nfs/dbraw/zinc/75/65/95/570756595.db2.gz XKGJODRFPYWKBM-UHFFFAOYSA-N 0 0 385.468 2.737 10 0 GFAERN Cn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccc(Cl)s1)CC2 ZINC000065284541 570780606 /nfs/dbraw/zinc/78/06/06/570780606.db2.gz JHJIHNFMKGOLNW-UHFFFAOYSA-N 0 0 392.912 2.750 10 0 GFAERN COc1cc([C@H]2OC[C@H](Cc3cc(OC)c(O)c(OC)c3)[C@@H]2CO)ccc1O ZINC000005999126 570812896 /nfs/dbraw/zinc/81/28/96/570812896.db2.gz LNRXVGSOOWBFAI-VFCRVFHLSA-N 0 0 390.432 2.662 10 0 GFAERN COc1ccc2c(c1)[C@]1(CCN(C(=O)Nc3ccc(OC)c(F)c3)C1)C(=O)N2 ZINC000065249093 570865239 /nfs/dbraw/zinc/86/52/39/570865239.db2.gz IRVIAAZJJQVVLL-HXUWFJFHSA-N 0 0 385.395 2.971 10 0 GFAERN COc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(C)c3)CCN2C)cc1 ZINC000065281864 570937974 /nfs/dbraw/zinc/93/79/74/570937974.db2.gz BDQDKQMXBHIMLB-IBGZPJMESA-N 0 0 378.469 2.820 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)c1ccc(Cl)s1 ZINC000041758719 654631171 /nfs/dbraw/zinc/63/11/71/654631171.db2.gz BSJXTHNWNRQSMD-SNVBAGLBSA-N 0 0 379.869 2.919 10 0 GFAERN COCCN1CCN(C(=O)Nc2cc(F)c(Br)cc2F)C[C@@H]1C ZINC000121961367 654725876 /nfs/dbraw/zinc/72/58/76/654725876.db2.gz HWILVZNNMVIVMP-JTQLQIEISA-N 0 0 392.244 2.912 10 0 GFAERN CN(C(=O)c1ccccc1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122292772 654732584 /nfs/dbraw/zinc/73/25/84/654732584.db2.gz FJQCUDANIHNIHT-CYBMUJFWSA-N 0 0 375.270 2.980 10 0 GFAERN C[C@@H](NS(=O)(=O)Cc1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000122682738 654742241 /nfs/dbraw/zinc/74/22/41/654742241.db2.gz AHZUCUBWNDIAQZ-LLVKDONJSA-N 0 0 389.445 2.549 10 0 GFAERN O=S(=O)(Cc1cc(Cl)ccc1F)N1CCO[C@H](c2nccs2)C1 ZINC000124042881 654769665 /nfs/dbraw/zinc/76/96/65/654769665.db2.gz XQVMWXVELQUETL-ZDUSSCGKSA-N 0 0 376.862 2.839 10 0 GFAERN CN(C)C[C@@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)c1ccccc1 ZINC000055218509 654771938 /nfs/dbraw/zinc/77/19/38/654771938.db2.gz IDAMPFBFSKGHEQ-CQSZACIVSA-N 0 0 378.885 2.569 10 0 GFAERN O=C(NCc1ccc(O)c(Br)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000126251521 654811595 /nfs/dbraw/zinc/81/15/95/654811595.db2.gz MUOJPCSEEYOXFE-CYBMUJFWSA-N 0 0 398.282 2.894 10 0 GFAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)Oc1ccc(F)cc1Br ZINC000061438617 654839477 /nfs/dbraw/zinc/83/94/77/654839477.db2.gz GAIGOHVZLGONSJ-UHFFFAOYSA-N 0 0 381.157 2.956 10 0 GFAERN COc1cc(Br)c(CN2CCC[C@@H](Cn3cncn3)C2)c(OC)c1 ZINC000128458918 654847329 /nfs/dbraw/zinc/84/73/29/654847329.db2.gz YHOHJEKKMRQPQU-CYBMUJFWSA-N 0 0 395.301 2.970 10 0 GFAERN C[C@H](OC(=O)Cn1nc2ccccn2c1=O)c1ccc(Br)cc1F ZINC000131154601 654897170 /nfs/dbraw/zinc/89/71/70/654897170.db2.gz GOEQCRGHVJLVCI-JTQLQIEISA-N 0 0 394.200 2.702 10 0 GFAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000131364673 654903968 /nfs/dbraw/zinc/90/39/68/654903968.db2.gz FQLVAXDVMBOLPV-VXGBXAGGSA-N 0 0 388.917 2.666 10 0 GFAERN COCCN1CCN(C(=O)c2cc(Cl)cc(Br)c2)C[C@H]1C ZINC000131647723 654912326 /nfs/dbraw/zinc/91/23/26/654912326.db2.gz PNUNNTRRMKXUMP-LLVKDONJSA-N 0 0 375.694 2.895 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)COc1cccc(Br)c1)CC2 ZINC000133623210 654969041 /nfs/dbraw/zinc/96/90/41/654969041.db2.gz OGCUOPAJFSYORM-ZDUSSCGKSA-N 0 0 393.285 2.674 10 0 GFAERN C[C@@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1cccc(Br)c1 ZINC000069921981 654989126 /nfs/dbraw/zinc/98/91/26/654989126.db2.gz JFSLTSNDMTXLQP-WDEREUQCSA-N 0 0 377.304 2.585 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000070704862 654993700 /nfs/dbraw/zinc/99/37/00/654993700.db2.gz GYSFYEBMKGIJEB-OAHLLOKOSA-N 0 0 379.507 2.953 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cccnc3Br)CC2)cs1 ZINC000135389333 655015278 /nfs/dbraw/zinc/01/52/78/655015278.db2.gz STFTXXVYQLHJEB-UHFFFAOYSA-N 0 0 395.326 2.957 10 0 GFAERN C[C@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000135805169 655024733 /nfs/dbraw/zinc/02/47/33/655024733.db2.gz VEWBMVCCAYCXNY-LBPRGKRZSA-N 0 0 381.885 2.590 10 0 GFAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1Cl ZINC000096846058 655032269 /nfs/dbraw/zinc/03/22/69/655032269.db2.gz ZTXOKDMGJVLURB-CABZTGNLSA-N 0 0 382.707 2.932 10 0 GFAERN C[C@@H](OC(=O)CN(C)C(=O)c1ccc(Br)s1)C1CCOCC1 ZINC000151633388 655053197 /nfs/dbraw/zinc/05/31/97/655053197.db2.gz CAOWPTXYVBQZHU-SNVBAGLBSA-N 0 0 390.299 2.941 10 0 GFAERN COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000102660485 655057317 /nfs/dbraw/zinc/05/73/17/655057317.db2.gz BWPKTLYTAMBVBM-SECBINFHSA-N 0 0 383.363 2.807 10 0 GFAERN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000102660484 655057431 /nfs/dbraw/zinc/05/74/31/655057431.db2.gz BWPKTLYTAMBVBM-VIFPVBQESA-N 0 0 383.363 2.807 10 0 GFAERN CN(CCc1ccc(Br)cc1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000106854532 655112388 /nfs/dbraw/zinc/11/23/88/655112388.db2.gz ILZSYYBZQDXRGE-IYBDPMFKSA-N 0 0 377.282 2.832 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccccc1Br ZINC000172078200 655156181 /nfs/dbraw/zinc/15/61/81/655156181.db2.gz IRXCFUWPPYXRDV-GFCCVEGCSA-N 0 0 376.272 2.559 10 0 GFAERN CCCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110875694 655160976 /nfs/dbraw/zinc/16/09/76/655160976.db2.gz DOYTZWLTGDAIIF-CQSZACIVSA-N 0 0 380.491 2.541 10 0 GFAERN S=c1oc(-c2ccc(Cl)cc2)nn1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172961609 655161593 /nfs/dbraw/zinc/16/15/93/655161593.db2.gz MADZYLIBYKGEIS-OAHLLOKOSA-N 0 0 380.901 2.890 10 0 GFAERN COC[C@H](C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000111108523 655164436 /nfs/dbraw/zinc/16/44/36/655164436.db2.gz QCFFFTXTTRLLQA-LBPRGKRZSA-N 0 0 376.316 2.960 10 0 GFAERN O=C(c1cc(Cl)ccc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111085322 655164485 /nfs/dbraw/zinc/16/44/85/655164485.db2.gz JIQOLXJIGOBZIA-GFCCVEGCSA-N 0 0 384.661 2.840 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@@H]1N1CCOCC1 ZINC000173403421 655170079 /nfs/dbraw/zinc/17/00/79/655170079.db2.gz DENRGNPFTZLMHV-YPMHNXCESA-N 0 0 381.885 2.849 10 0 GFAERN C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)C[C@@H]1N1CCOCC1 ZINC000173406406 655170305 /nfs/dbraw/zinc/17/03/05/655170305.db2.gz WRHAUSXOTLAABF-WFASDCNBSA-N 0 0 393.281 2.988 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)NC3=O)C2)n1 ZINC000173405769 655170482 /nfs/dbraw/zinc/17/04/82/655170482.db2.gz JUIMSGKHTIHAFQ-GRYCIOLGSA-N 0 0 375.416 2.615 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3coc(Br)c3)CC2)n1 ZINC000112035970 655181107 /nfs/dbraw/zinc/18/11/07/655181107.db2.gz GESNGAOTFXQMAS-SNVBAGLBSA-N 0 0 383.246 2.507 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)COc3ccc(Cl)c(Cl)c3)CCO2)c1 ZINC000112065911 655181584 /nfs/dbraw/zinc/18/15/84/655181584.db2.gz BLDHKUSERIRRQB-CQSZACIVSA-N 0 0 384.263 2.805 10 0 GFAERN C[C@@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)C[C@H]1N1CCOCC1 ZINC000173874065 655183681 /nfs/dbraw/zinc/18/36/81/655183681.db2.gz COQBZLKWTQALCX-RHSMWYFYSA-N 0 0 378.563 2.958 10 0 GFAERN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cnc(Br)cn1)C(C)C ZINC000174066112 655191035 /nfs/dbraw/zinc/19/10/35/655191035.db2.gz RWNUXSATPZPTAJ-OAHLLOKOSA-N 0 0 391.269 2.941 10 0 GFAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000113373539 655208958 /nfs/dbraw/zinc/20/89/58/655208958.db2.gz PBQWTBHKQXKWKB-RYUDHWBXSA-N 0 0 391.331 2.975 10 0 GFAERN CC(C)(C)n1cc(CN2CCN(C(=O)c3cc(Br)c[nH]3)CC2)cn1 ZINC000113922040 655215661 /nfs/dbraw/zinc/21/56/61/655215661.db2.gz XZONSVXVANMVEH-UHFFFAOYSA-N 0 0 394.317 2.687 10 0 GFAERN Cc1c(C(=O)O[C@@H](C)[C@@H]2CCOC2)nnn1-c1cccc(Br)c1 ZINC000175250966 655216497 /nfs/dbraw/zinc/21/64/97/655216497.db2.gz AFPOWGDKLBRWNU-NWDGAFQWSA-N 0 0 380.242 2.920 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Br)CC2 ZINC000114867736 655229975 /nfs/dbraw/zinc/22/99/75/655229975.db2.gz SUZMRRMLYUTAQW-NEPJUHHUSA-N 0 0 393.285 2.502 10 0 GFAERN Cc1csc([C@@H](OC(=O)C2CCN(C(=O)N(C)C)CC2)C(F)(F)F)n1 ZINC000176009505 655231905 /nfs/dbraw/zinc/23/19/05/655231905.db2.gz MUYPMEKXYJLTHA-LLVKDONJSA-N 0 0 379.404 2.992 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1ccc(Br)cc1)CC2 ZINC000176398084 655244076 /nfs/dbraw/zinc/24/40/76/655244076.db2.gz MVRVMHQSWGOVKM-CQSZACIVSA-N 0 0 377.286 2.667 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)c3cc(Br)c4c(c3)OCCO4)C2)cn1 ZINC000116118580 655244185 /nfs/dbraw/zinc/24/41/85/655244185.db2.gz FABQBACHHPGPKK-LLVKDONJSA-N 0 0 392.253 2.584 10 0 GFAERN C[C@@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000116945268 655257273 /nfs/dbraw/zinc/25/72/73/655257273.db2.gz VWNGCVYQKHOVTM-BDAKNGLRSA-N 0 0 398.287 2.527 10 0 GFAERN C[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000116945270 655257402 /nfs/dbraw/zinc/25/74/02/655257402.db2.gz VWNGCVYQKHOVTM-DTWKUNHWSA-N 0 0 398.287 2.527 10 0 GFAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000176907850 655260562 /nfs/dbraw/zinc/26/05/62/655260562.db2.gz YHBVISVNCIIQBO-UHFFFAOYSA-N 0 0 376.265 2.763 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(OC)ccc2Br)C[C@H]1C ZINC000117280256 655262759 /nfs/dbraw/zinc/26/27/59/655262759.db2.gz KMZVHPLTENIOPQ-CYBMUJFWSA-N 0 0 385.302 2.641 10 0 GFAERN COCCN1CCN(C(=O)CCc2cc(Br)cs2)C[C@H]1C ZINC000117284002 655263192 /nfs/dbraw/zinc/26/31/92/655263192.db2.gz AXWMBZKNVOCMBX-GFCCVEGCSA-N 0 0 375.332 2.622 10 0 GFAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000177581676 655282350 /nfs/dbraw/zinc/28/23/50/655282350.db2.gz QXTBDGWYSYQHDG-WDEREUQCSA-N 0 0 382.404 2.689 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177765707 655288031 /nfs/dbraw/zinc/28/80/31/655288031.db2.gz QCGZNNRUHHRTBU-CZUORRHYSA-N 0 0 382.302 2.942 10 0 GFAERN CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000119388586 655302197 /nfs/dbraw/zinc/30/21/97/655302197.db2.gz VMIDVDIIRVMRQY-OAHLLOKOSA-N 0 0 388.917 2.716 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3cccnc3Br)C2)n1 ZINC000119857005 655318481 /nfs/dbraw/zinc/31/84/81/655318481.db2.gz LLBMQDNYSGUPGO-ZDUSSCGKSA-N 0 0 393.289 2.997 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)n1 ZINC000185633419 655365297 /nfs/dbraw/zinc/36/52/97/655365297.db2.gz DTVJTQALNDBCHI-JTQLQIEISA-N 0 0 384.267 2.853 10 0 GFAERN C[C@@H]1C(=O)NCCCN1Cn1nc(-c2ccc(Br)cc2)oc1=S ZINC000190699013 655394192 /nfs/dbraw/zinc/39/41/92/655394192.db2.gz TWRUTNFEOFQTQS-SNVBAGLBSA-N 0 0 397.298 2.803 10 0 GFAERN CCOCCN1CCN(C(=O)c2nc(Br)ccc2C)C[C@@H]1CC ZINC000191678777 655400020 /nfs/dbraw/zinc/40/00/20/655400020.db2.gz SKNIFOHGOZJGFY-AWEZNQCLSA-N 0 0 384.318 2.725 10 0 GFAERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H]1Cn1ccnc1 ZINC000192362650 655404852 /nfs/dbraw/zinc/40/48/52/655404852.db2.gz IIKWZTMEVYDSON-LLVKDONJSA-N 0 0 379.214 2.859 10 0 GFAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000192597389 655405988 /nfs/dbraw/zinc/40/59/88/655405988.db2.gz CORNFJJFRCFOIK-SECBINFHSA-N 0 0 381.816 2.545 10 0 GFAERN COCCNc1nn(CN2CCO[C@@H](c3nc(C)cs3)C2)c(=S)s1 ZINC000195295143 655419971 /nfs/dbraw/zinc/41/99/71/655419971.db2.gz GNPXGRUZEUCVPF-LLVKDONJSA-N 0 0 387.556 2.528 10 0 GFAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)N(C)Cc2ccc(Br)o2)C1 ZINC000222644899 655422198 /nfs/dbraw/zinc/42/21/98/655422198.db2.gz LXOUBSJFKOHDHZ-AWEZNQCLSA-N 0 0 392.253 2.541 10 0 GFAERN C[C@H](OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CCOC1 ZINC000247055115 655430986 /nfs/dbraw/zinc/43/09/86/655430986.db2.gz OSHZEQFMKQBDNU-AVGNSLFASA-N 0 0 382.254 2.770 10 0 GFAERN O=C(/C=C\c1ccc(I)o1)N1CCC[C@@H]1Cn1ccnc1 ZINC000255459066 655439070 /nfs/dbraw/zinc/43/90/70/655439070.db2.gz JSIXXZMMWSAJIY-TXNVCOODSA-N 0 0 397.216 2.785 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000255715324 655440268 /nfs/dbraw/zinc/44/02/68/655440268.db2.gz XXZKLBXOCVIEEQ-QQBNSCQMSA-N 0 0 397.298 2.774 10 0 GFAERN Cc1cc(Br)cnc1NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702856802 655521923 /nfs/dbraw/zinc/52/19/23/655521923.db2.gz JJOKKMOTEFMYGU-WCQYABFASA-N 0 0 386.290 2.792 10 0 GFAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c[nH]nc1I ZINC000895568106 663519348 /nfs/dbraw/zinc/51/93/48/663519348.db2.gz KDHGDTJICNFPTP-RQJHMYQMSA-N 0 0 387.143 2.865 10 0 GFAERN Cc1cc2c(cc1NC(=O)C1C[C@H]3CSC[C@@H](C1)C3=O)sc(=O)n2C ZINC000912346371 664282697 /nfs/dbraw/zinc/28/26/97/664282697.db2.gz IAMLHESKOOMEMQ-YOGCLGLASA-N 0 0 376.503 2.805 10 0 GFAERN O=C(NCc1cccc(F)c1)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724340 210163406 /nfs/dbraw/zinc/16/34/06/210163406.db2.gz MVTMHDFAHGVXJL-UHFFFAOYSA-N 0 0 378.407 2.889 10 0 GFAERN Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H](NCC(F)(F)F)C2 ZINC000014537254 210118573 /nfs/dbraw/zinc/11/85/73/210118573.db2.gz WVBKXJUGTLDSGX-HNNXBMFYSA-N 0 0 392.425 2.628 10 0 GFAERN COc1ccc(S(=O)(=O)N(C)c2ccnc(C(=O)NCCC(C)C)c2)cc1 ZINC000009152257 209812190 /nfs/dbraw/zinc/81/21/90/209812190.db2.gz PXKOEXNIXOBMAT-UHFFFAOYSA-N 0 0 391.493 2.691 10 0 GFAERN CCc1ccc(NC(=O)CN2c3ccccc3S(=O)(=O)[C@H](C)CC2=O)cc1 ZINC000006806565 209689348 /nfs/dbraw/zinc/68/93/48/209689348.db2.gz FVGIWRDTGXVDBG-CQSZACIVSA-N 0 0 386.473 2.787 10 0 GFAERN NS(=O)(=O)c1ccc(CCNC(=O)c2csc3c2CCCCC3)cc1 ZINC000005070420 209565723 /nfs/dbraw/zinc/56/57/23/209565723.db2.gz JAXYFPHLCNLDKX-UHFFFAOYSA-N 0 0 378.519 2.637 10 0 GFAERN COCCn1cc(C(=O)NCc2ccc(C)o2)c2c3ccccc3n(C)c2c1=O ZINC000002466297 209366690 /nfs/dbraw/zinc/36/66/90/209366690.db2.gz WZSJYVXKWJZOBD-UHFFFAOYSA-N 0 0 393.443 2.971 10 0 GFAERN O=c1c(-c2ccccc2)cc(-c2cccc(O)c2)nn1CCN1CCOCC1 ZINC000031571596 209243149 /nfs/dbraw/zinc/24/31/49/209243149.db2.gz NELSUANATBKFPG-UHFFFAOYSA-N 0 0 377.444 2.615 10 0 GFAERN CC1(C)O[C@@H]2[C@@H](COC(=O)c3ccccc3)O[C@@H](OC(=O)c3ccccc3)[C@@H]2O1 ZINC000255995884 209220617 /nfs/dbraw/zinc/22/06/17/209220617.db2.gz PYWYWEXXQROBDA-IKVWTGGYSA-N 0 0 398.411 2.945 10 0 GFAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000030762032 209191978 /nfs/dbraw/zinc/19/19/78/209191978.db2.gz PMNQWYUYANZREC-KGLIPLIRSA-N 0 0 396.417 2.578 10 0 GFAERN Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1cncc(Br)c1 ZINC000226264100 209187549 /nfs/dbraw/zinc/18/75/49/209187549.db2.gz CTCYEDLRMASWGG-UHFFFAOYSA-N 0 0 391.269 2.824 10 0 GFAERN COC(=O)c1cc(I)cc(I)c1 ZINC000028278747 209179435 /nfs/dbraw/zinc/17/94/35/209179435.db2.gz YYSITUQNFNKVLR-UHFFFAOYSA-N 0 0 387.942 2.682 10 0 GFAERN CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3ccco3)cc(=O)n21 ZINC000041077138 212043261 /nfs/dbraw/zinc/04/32/61/212043261.db2.gz VCTATUGHLRKZBD-UHFFFAOYSA-N 0 0 393.403 2.896 10 0 GFAERN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1Cc1ccc(F)c(F)c1 ZINC000299777442 212035950 /nfs/dbraw/zinc/03/59/50/212035950.db2.gz NSKOEGRRSYGTTC-DOMZBBRYSA-N 0 0 380.416 2.572 10 0 GFAERN O=C(c1ccccc1)N1CCN(C(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000041126413 211399776 /nfs/dbraw/zinc/39/97/76/211399776.db2.gz SPGYDHXHTOKNPK-UHFFFAOYSA-N 0 0 386.835 2.709 10 0 GFAERN O=C(CN1CCn2nc(Cc3ccccc3)cc2C1)NCc1ccccc1F ZINC000097674220 211368691 /nfs/dbraw/zinc/36/86/91/211368691.db2.gz RQKKOJWNVIMRBJ-UHFFFAOYSA-N 0 0 378.451 2.745 10 0 GFAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COC1=NS(=O)(=O)c2ccccc21 ZINC000095086654 211217969 /nfs/dbraw/zinc/21/79/69/211217969.db2.gz BYFOSKJUVGDFKK-CYBMUJFWSA-N 0 0 380.466 2.942 10 0 GFAERN CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1cccc(F)c1 ZINC000095074448 211216003 /nfs/dbraw/zinc/21/60/03/211216003.db2.gz IRZKXZHTTKVZIN-MRXNPFEDSA-N 0 0 386.489 2.987 10 0 GFAERN Cn1nc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000065219508 210977384 /nfs/dbraw/zinc/97/73/84/210977384.db2.gz RTJBLPXKZIXOBI-CYBMUJFWSA-N 0 0 382.851 2.896 10 0 GFAERN O=C(NCCn1c(=O)n(Cc2ccccc2)c2cccnc21)C1CCCCC1 ZINC000065202809 210975584 /nfs/dbraw/zinc/97/55/84/210975584.db2.gz QHKVRROYPSAHLQ-UHFFFAOYSA-N 0 0 378.476 2.943 10 0 GFAERN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)sc1C ZINC000064748074 210945954 /nfs/dbraw/zinc/94/59/54/210945954.db2.gz FFGXCLBPZKEHRE-CYBMUJFWSA-N 0 0 381.523 2.770 10 0 GFAERN CCCNC(=O)CN(C)C(=O)c1cc(Br)c(Br)s1 ZINC000048390851 210855932 /nfs/dbraw/zinc/85/59/32/210855932.db2.gz UWNBEDOHSIGALW-UHFFFAOYSA-N 0 0 398.120 2.871 10 0 GFAERN CC(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)N2CCCC[C@H]2C)CC1 ZINC000036209017 210713118 /nfs/dbraw/zinc/71/31/18/210713118.db2.gz ADFVDTUGFSPPKW-RDTXWAMCSA-N 0 0 391.537 2.506 10 0 GFAERN COc1ccc(CN2CCc3nc(N4CCCC4)ncc3C2)c(OC)c1OC ZINC000021039287 210374698 /nfs/dbraw/zinc/37/46/98/210374698.db2.gz LXEJEQJMOZKDBP-UHFFFAOYSA-N 0 0 384.480 2.661 10 0 GFAERN CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cnc2cc(Cl)ccc2c1O ZINC000020109553 210316884 /nfs/dbraw/zinc/31/68/84/210316884.db2.gz HRAYXIFSKINPEW-GFCCVEGCSA-N 0 0 389.883 2.901 10 0 GFAERN COC(=O)[C@]1([S@@](=O)Oc2ccc(C)cc2)CCCN1C(=O)OC(C)(C)C ZINC000504747660 533634172 /nfs/dbraw/zinc/63/41/72/533634172.db2.gz JZXUYJZLKVLAES-DWXRJYCRSA-N 0 0 383.466 2.938 10 0 GFAERN COc1ccc(CNc2nc(N3CCC(C(N)=O)CC3)nc3ccccc32)cc1 ZINC000072260756 136167830 /nfs/dbraw/zinc/16/78/30/136167830.db2.gz GWNBCAHGUNREMU-UHFFFAOYSA-N 0 0 391.475 2.952 10 0 GFAERN CN1C(=O)COc2ccc(NC(=O)N3CCCC[C@H]3CCn3cccn3)cc21 ZINC000096136742 136184160 /nfs/dbraw/zinc/18/41/60/136184160.db2.gz MTRHYINGIYPZPT-INIZCTEOSA-N 0 0 383.452 2.715 10 0 GFAERN CCOC(=O)[C@@H](CCc1ccccc1)N1C(=O)[C@H]2C[C@H]3CCC[C@H]3N2C(=O)[C@H]1C ZINC000098088448 521061827 /nfs/dbraw/zinc/06/18/27/521061827.db2.gz KOVMAAYRBJCASY-YHUYVZNPSA-N 0 0 398.503 2.551 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(S(C)(=O)=O)cc1 ZINC000015358998 551111053 /nfs/dbraw/zinc/11/10/53/551111053.db2.gz WJCBXDYAPTWREL-SECBINFHSA-N 0 0 393.408 2.547 10 0 GFAERN C[C@@H](NC(=O)c1ccccc1OCC(N)=O)c1ccccc1Br ZINC000027440146 551122478 /nfs/dbraw/zinc/12/24/78/551122478.db2.gz LFBMOEVQQFNQJI-LLVKDONJSA-N 0 0 377.238 2.804 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000044323204 551144167 /nfs/dbraw/zinc/14/41/67/551144167.db2.gz LAZMLUZZAMRPCS-JTQLQIEISA-N 0 0 391.873 2.922 10 0 GFAERN C[C@@H](NC(=O)c1cc(-c2cccs2)on1)c1ccc(S(N)(=O)=O)cc1 ZINC000054583968 551169962 /nfs/dbraw/zinc/16/99/62/551169962.db2.gz CWVUIWCNJHOJOX-SNVBAGLBSA-N 0 0 377.447 2.542 10 0 GFAERN O=C(CCN1C(=O)NC2(CCCC2)C1=O)Oc1ccc(F)cc1Br ZINC000060668491 551183716 /nfs/dbraw/zinc/18/37/16/551183716.db2.gz DDLWQAIAHGSRDT-UHFFFAOYSA-N 0 0 399.216 2.748 10 0 GFAERN COC(=O)[C@@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000067379626 551188131 /nfs/dbraw/zinc/18/81/31/551188131.db2.gz UMIRRSJVMDERLQ-CYBMUJFWSA-N 0 0 394.269 2.808 10 0 GFAERN C[C@H](C(=O)NCc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC000107039184 551201732 /nfs/dbraw/zinc/20/17/32/551201732.db2.gz TYGKTUPJWOTUDI-LLVKDONJSA-N 0 0 387.233 2.750 10 0 GFAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000110415848 551204574 /nfs/dbraw/zinc/20/45/74/551204574.db2.gz XYPCMYDMEOSVTK-UWVGGRQHSA-N 0 0 382.239 2.715 10 0 GFAERN COC(=O)[C@H]1C[C@H]1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000110415852 551204627 /nfs/dbraw/zinc/20/46/27/551204627.db2.gz XYPCMYDMEOSVTK-ZJUUUORDSA-N 0 0 382.239 2.715 10 0 GFAERN O=C(CCCCOc1ccc(Br)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000112648473 551206863 /nfs/dbraw/zinc/20/68/63/551206863.db2.gz IGSZVOMDFXASQG-CQSZACIVSA-N 0 0 393.285 2.721 10 0 GFAERN Cn1cc([C@H]2CCN(CC(=O)Nc3ccc(Br)cc3F)C2)cn1 ZINC000116321858 551211796 /nfs/dbraw/zinc/21/17/96/551211796.db2.gz OWZNXCNWOMCFNT-NSHDSACASA-N 0 0 381.249 2.750 10 0 GFAERN COCCN1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)C[C@H]1C ZINC000117491441 551213934 /nfs/dbraw/zinc/21/39/34/551213934.db2.gz LYYNQLIPFWYCQZ-CXAGYDPISA-N 0 0 396.329 2.799 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1Br ZINC000121217560 551229646 /nfs/dbraw/zinc/22/96/46/551229646.db2.gz GSSZYQNSJXJLAF-CQSZACIVSA-N 0 0 389.315 2.900 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000121459645 551234895 /nfs/dbraw/zinc/23/48/95/551234895.db2.gz SZYAADQYOYSDGH-LBPRGKRZSA-N 0 0 386.880 2.967 10 0 GFAERN CCC1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 ZINC000121635099 551238789 /nfs/dbraw/zinc/23/87/89/551238789.db2.gz XIVRJZXPDUBSIK-UHFFFAOYSA-N 0 0 389.315 2.795 10 0 GFAERN COc1sc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cc1Br ZINC000122383457 551297424 /nfs/dbraw/zinc/29/74/24/551297424.db2.gz NWEGJFCZUIRKMA-LBPRGKRZSA-N 0 0 386.315 2.925 10 0 GFAERN CN(C(=O)Nc1cncc(Br)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000126874915 551333538 /nfs/dbraw/zinc/33/35/38/551333538.db2.gz DEQWGACPAVBMPX-AWEZNQCLSA-N 0 0 391.273 2.767 10 0 GFAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128271923 551348144 /nfs/dbraw/zinc/34/81/44/551348144.db2.gz QGQWOQYNORSRHR-DOMZBBRYSA-N 0 0 379.400 2.901 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)c(C)c1 ZINC000128981757 551354444 /nfs/dbraw/zinc/35/44/44/551354444.db2.gz YWUMPBRMVYUEKA-CYBMUJFWSA-N 0 0 379.258 2.760 10 0 GFAERN CC(C)[C@H](NC(=O)Nc1nnc(-c2cccc(Br)c2)s1)C(N)=O ZINC000130531755 551366072 /nfs/dbraw/zinc/36/60/72/551366072.db2.gz TUTBEBABSVQYRD-JTQLQIEISA-N 0 0 398.286 2.599 10 0 GFAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(I)c(F)c1 ZINC000151123033 551407571 /nfs/dbraw/zinc/40/75/71/551407571.db2.gz SPDKYLMQKJOFKK-GXFFZTMASA-N 0 0 377.197 2.711 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)c1ccc(Cl)s1 ZINC000151169224 551408505 /nfs/dbraw/zinc/40/85/05/551408505.db2.gz NFAZOOSUBDDLLH-SSDOTTSWSA-N 0 0 380.779 2.976 10 0 GFAERN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1C ZINC000152229610 551429078 /nfs/dbraw/zinc/42/90/78/551429078.db2.gz UAZKIBQFGLTOGM-XPTSAGLGSA-N 0 0 391.269 2.715 10 0 GFAERN C[C@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(Cl)c1 ZINC000152758703 551439035 /nfs/dbraw/zinc/43/90/35/551439035.db2.gz DBBYIHHCZUDUOT-NSHDSACASA-N 0 0 391.896 2.606 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000153083518 551446261 /nfs/dbraw/zinc/44/62/61/551446261.db2.gz LNAWZWJBNJTJSL-SECBINFHSA-N 0 0 396.690 2.676 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000153926042 551462976 /nfs/dbraw/zinc/46/29/76/551462976.db2.gz WHXRAAYYCCNNQI-RISCZKNCSA-N 0 0 385.277 2.894 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(C)ccc3Br)CCO2)c1 ZINC000154402512 551474013 /nfs/dbraw/zinc/47/40/13/551474013.db2.gz RZQAVMICOSHRHW-AWEZNQCLSA-N 0 0 378.270 2.804 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1cc(Br)cs1 ZINC000155075625 551490484 /nfs/dbraw/zinc/49/04/84/551490484.db2.gz WJDGFDJANTZAGK-LBPRGKRZSA-N 0 0 399.314 2.832 10 0 GFAERN CCCC[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)OC(C)(C)C ZINC000155195865 551493989 /nfs/dbraw/zinc/49/39/89/551493989.db2.gz FNDAXIQEBXKTHG-GFCCVEGCSA-N 0 0 387.274 2.768 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)CCc2ccccc2Br)n1 ZINC000155437071 551499800 /nfs/dbraw/zinc/49/98/00/551499800.db2.gz RNQGMSNKGLUODO-CQSZACIVSA-N 0 0 380.242 2.673 10 0 GFAERN COCCOCCS(=O)(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000156085357 551514230 /nfs/dbraw/zinc/51/42/30/551514230.db2.gz KYSZTZQTQFNJES-SMDDNHRTSA-N 0 0 382.309 2.679 10 0 GFAERN O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@@H]1CCCC[C@@H]1CO ZINC000157205394 551535119 /nfs/dbraw/zinc/53/51/19/551535119.db2.gz YHBZASMRRBEPLN-DGCLKSJQSA-N 0 0 380.897 2.952 10 0 GFAERN Cn1nccc1C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000159306631 551563691 /nfs/dbraw/zinc/56/36/91/551563691.db2.gz UFLPUVHWZJJTII-UHFFFAOYSA-N 0 0 390.328 2.812 10 0 GFAERN CCN(CC)C(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000162779001 551612718 /nfs/dbraw/zinc/61/27/18/551612718.db2.gz NTYISEGXRZZGQV-UHFFFAOYSA-N 0 0 380.613 2.752 10 0 GFAERN Cc1nc(C2(NC[C@H](O)COc3cccc(Br)c3)CCCC2)no1 ZINC000170645453 551636819 /nfs/dbraw/zinc/63/68/19/551636819.db2.gz DHGVLLBOCCYPCA-AWEZNQCLSA-N 0 0 396.285 2.939 10 0 GFAERN C[C@@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CCS1 ZINC000170882335 551642428 /nfs/dbraw/zinc/64/24/28/551642428.db2.gz MIHLUKDYVZHFBL-PBHICJAKSA-N 0 0 383.945 2.860 10 0 GFAERN Cc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1I ZINC000171099288 551646736 /nfs/dbraw/zinc/64/67/36/551646736.db2.gz JIYLOWYYFJUZMN-CQSZACIVSA-N 0 0 384.261 2.910 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)ccc1Br ZINC000171396392 551654304 /nfs/dbraw/zinc/65/43/04/551654304.db2.gz VFDWPZONXUDQOA-HNNXBMFYSA-N 0 0 391.269 2.793 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CCS[C@@H](C)C1 ZINC000171436456 551655745 /nfs/dbraw/zinc/65/57/45/551655745.db2.gz VSMSCNARAFLZEN-NSHDSACASA-N 0 0 386.315 2.843 10 0 GFAERN Cc1c(NC(=O)C(=O)N2CCS[C@H](C)C2)cccc1OCC(F)(F)F ZINC000171469075 551656482 /nfs/dbraw/zinc/65/64/82/551656482.db2.gz TUMAJFUCIVZKMR-SNVBAGLBSA-N 0 0 376.400 2.839 10 0 GFAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCS1 ZINC000171571858 551658665 /nfs/dbraw/zinc/65/86/65/551658665.db2.gz KOVILEKLCCQEMI-NEPJUHHUSA-N 0 0 383.311 2.766 10 0 GFAERN O[C@@H](COc1ccc(Br)cc1)CN1CCO[C@H](c2nccs2)C1 ZINC000171665460 551660251 /nfs/dbraw/zinc/66/02/51/551660251.db2.gz ASEDZEPEEDXIRG-HIFRSBDPSA-N 0 0 399.310 2.719 10 0 GFAERN C[C@H]1CN(CC(=O)Nc2cccc(I)c2)CCS1 ZINC000171701978 551661548 /nfs/dbraw/zinc/66/15/48/551661548.db2.gz PYRZIKZHOCPODO-JTQLQIEISA-N 0 0 376.263 2.667 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(F)cc1Br)CC2 ZINC000172314249 551675928 /nfs/dbraw/zinc/67/59/28/551675928.db2.gz BXQREHJJOMKANN-GFCCVEGCSA-N 0 0 396.264 2.556 10 0 GFAERN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767521 551686523 /nfs/dbraw/zinc/68/65/23/551686523.db2.gz DFZKYHGBHOLFLC-DZGCQCFKSA-N 0 0 399.354 2.863 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H]3SCCc4sccc43)CCO2)n1 ZINC000173302186 552082258 /nfs/dbraw/zinc/08/22/58/552082258.db2.gz VHFXSSKATXQBIT-RHSMWYFYSA-N 0 0 377.535 2.819 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@H]1N1CCOCC1 ZINC000173807400 552092776 /nfs/dbraw/zinc/09/27/76/552092776.db2.gz DXDMWWZAOWLPEX-SJKOYZFVSA-N 0 0 392.297 2.723 10 0 GFAERN CC(C)c1csc([C@@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)n1 ZINC000173957631 552095745 /nfs/dbraw/zinc/09/57/45/552095745.db2.gz ACESOEYEZMAKAI-LLVKDONJSA-N 0 0 383.495 2.527 10 0 GFAERN CCc1nnc([C@H]2CN(Cc3cc(Br)ccc3OC)CCO2)[nH]1 ZINC000174100361 552098871 /nfs/dbraw/zinc/09/88/71/552098871.db2.gz SLILZEVIBPODHB-CQSZACIVSA-N 0 0 381.274 2.712 10 0 GFAERN O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@@H]1COc2ccccc21 ZINC000174810558 552111003 /nfs/dbraw/zinc/11/10/03/552111003.db2.gz JEIABTKAWKCETR-GFCCVEGCSA-N 0 0 397.175 2.916 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000175872199 552130934 /nfs/dbraw/zinc/13/09/34/552130934.db2.gz BSJCRIZNLPOXRH-STQMWFEESA-N 0 0 384.267 2.761 10 0 GFAERN CCOC(=O)[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(Br)cc1F ZINC000176687159 552144337 /nfs/dbraw/zinc/14/43/37/552144337.db2.gz AMPZWIFLHAKKFZ-KGLIPLIRSA-N 0 0 397.248 2.909 10 0 GFAERN COc1cc(Br)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000176811802 552146291 /nfs/dbraw/zinc/14/62/91/552146291.db2.gz YFZZRUCWTHNNJT-IUCAKERBSA-N 0 0 398.706 2.909 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000177182983 552151059 /nfs/dbraw/zinc/15/10/59/552151059.db2.gz GYHXEYVROBJQOD-CYBMUJFWSA-N 0 0 381.885 2.553 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCC1(c2ccc(Br)cc2)CCC1)C(C)C ZINC000178441465 552170202 /nfs/dbraw/zinc/17/02/02/552170202.db2.gz GBRMQAXUFCLDER-OAHLLOKOSA-N 0 0 396.329 2.941 10 0 GFAERN CC(C)(NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1Br ZINC000178981953 552181212 /nfs/dbraw/zinc/18/12/12/552181212.db2.gz CSYIZHSDTIOBGV-LLVKDONJSA-N 0 0 378.274 2.590 10 0 GFAERN COC[C@H](C)NC(=O)NC(=O)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179537868 552195764 /nfs/dbraw/zinc/19/57/64/552195764.db2.gz PFDSOGCVYJHHGH-IUCAKERBSA-N 0 0 380.247 2.644 10 0 GFAERN O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000179644851 552198798 /nfs/dbraw/zinc/19/87/98/552198798.db2.gz BLNOSZCEHQIAMI-CVEARBPZSA-N 0 0 379.865 2.798 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3cccc(C)c3Cl)C2)n1 ZINC000180306987 552222069 /nfs/dbraw/zinc/22/20/69/552222069.db2.gz LKBZYTYZGDMWGJ-OAHLLOKOSA-N 0 0 382.917 2.958 10 0 GFAERN CCc1nnc(CN[C@@H](C)c2cc3c(cc2Br)OCCO3)n1C ZINC000180462873 552226799 /nfs/dbraw/zinc/22/67/99/552226799.db2.gz YMTMTYMPZPWUQM-JTQLQIEISA-N 0 0 381.274 2.762 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Nc1ccc(Br)nc1)CC2 ZINC000181630181 552262852 /nfs/dbraw/zinc/26/28/52/552262852.db2.gz PIKHDGJEGQYHSS-LLVKDONJSA-N 0 0 379.262 2.696 10 0 GFAERN Cc1cc(Br)ccc1CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000181979000 552272046 /nfs/dbraw/zinc/27/20/46/552272046.db2.gz WCPIBYKMWWQZHP-INIZCTEOSA-N 0 0 389.297 2.875 10 0 GFAERN COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CCCC[C@H]1O ZINC000182634254 552289507 /nfs/dbraw/zinc/28/95/07/552289507.db2.gz MLXKWMFTLOTJDZ-LSDHHAIUSA-N 0 0 385.302 2.993 10 0 GFAERN C[C@H]1CN(C(=O)c2cccc(Br)c2Cl)C[C@@H]1N1CCOCC1 ZINC000184077449 552326859 /nfs/dbraw/zinc/32/68/59/552326859.db2.gz NJLXHBSYVWGDDN-FZMZJTMJSA-N 0 0 387.705 2.895 10 0 GFAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000184155845 552328551 /nfs/dbraw/zinc/32/85/51/552328551.db2.gz VAVCASDYTBEUGO-OCCSQVGLSA-N 0 0 376.507 2.970 10 0 GFAERN Cc1csc([C@H]2CCCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)C2)n1 ZINC000184962980 552349653 /nfs/dbraw/zinc/34/96/53/552349653.db2.gz IBHWFHOCDJHVLK-NSHDSACASA-N 0 0 394.444 2.779 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3csc(Br)c3C)CCO2)c1 ZINC000185384732 552362293 /nfs/dbraw/zinc/36/22/93/552362293.db2.gz RDGDUCAIMMFSGT-GFCCVEGCSA-N 0 0 384.299 2.865 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1CCC(=O)Nc1ccc(Br)cc1F ZINC000186376067 552386248 /nfs/dbraw/zinc/38/62/48/552386248.db2.gz RXXISQQOCIGLPU-MRXNPFEDSA-N 0 0 387.249 2.944 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000186640231 552393125 /nfs/dbraw/zinc/39/31/25/552393125.db2.gz PKJFXUAXEVDNEU-UHFFFAOYSA-N 0 0 397.313 2.779 10 0 GFAERN Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)cc1Br ZINC000186654331 552393818 /nfs/dbraw/zinc/39/38/18/552393818.db2.gz RTUMJXNWWXIPEG-AWEZNQCLSA-N 0 0 383.286 2.769 10 0 GFAERN COc1c(Br)cccc1CN1CCCN(Cc2noc(C)n2)CC1 ZINC000186755234 552397161 /nfs/dbraw/zinc/39/71/61/552397161.db2.gz QEYZXZJNHPSBCX-UHFFFAOYSA-N 0 0 395.301 2.857 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)c2cc(Br)cn2CC)C12CCOCC2 ZINC000187124047 552407372 /nfs/dbraw/zinc/40/73/72/552407372.db2.gz JXPFLJSBLFXWAK-GJZGRUSLSA-N 0 0 385.302 2.975 10 0 GFAERN Cc1ccc(Br)cc1CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000187674686 552421399 /nfs/dbraw/zinc/42/13/99/552421399.db2.gz OQRKVPJXFOCIEZ-RHSMWYFYSA-N 0 0 396.329 2.620 10 0 GFAERN C[C@@H]1C(=O)NCCCN1C(=O)COc1ccc2ccccc2c1Br ZINC000188073470 552433876 /nfs/dbraw/zinc/43/38/76/552433876.db2.gz RFIMLSMGSTYIBJ-GFCCVEGCSA-N 0 0 391.265 2.718 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000188227231 552439857 /nfs/dbraw/zinc/43/98/57/552439857.db2.gz UCRTUBRMLUDADN-SJCJKPOMSA-N 0 0 383.286 2.928 10 0 GFAERN Cc1nn(-c2ccc(Br)cc2)cc1CN1CCCNC(=O)[C@H]1C ZINC000189087764 552463059 /nfs/dbraw/zinc/46/30/59/552463059.db2.gz SWTTVIPYARORPW-CYBMUJFWSA-N 0 0 377.286 2.654 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000189332681 552468750 /nfs/dbraw/zinc/46/87/50/552468750.db2.gz UGGMJQJZKVEELB-SMDDNHRTSA-N 0 0 392.257 2.979 10 0 GFAERN C[C@H](CN(C)C(=O)NC[C@H]1CN(C)CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000189366170 552469707 /nfs/dbraw/zinc/46/97/07/552469707.db2.gz RZMWRBWCBRUNEX-OCCSQVGLSA-N 0 0 390.311 2.733 10 0 GFAERN O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000189729990 552478681 /nfs/dbraw/zinc/47/86/81/552478681.db2.gz OJHKFFVDUKLVGA-LLVKDONJSA-N 0 0 376.873 2.936 10 0 GFAERN CS(=O)(=O)c1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1Cl ZINC000189895510 552482166 /nfs/dbraw/zinc/48/21/66/552482166.db2.gz LGTKKKCFRYMFON-CYBMUJFWSA-N 0 0 382.873 2.637 10 0 GFAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190597722 552502975 /nfs/dbraw/zinc/50/29/75/552502975.db2.gz GXKVZNJYNQAQMX-AWEZNQCLSA-N 0 0 398.207 2.945 10 0 GFAERN C[C@H]1OCCC[C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000190906198 552512913 /nfs/dbraw/zinc/51/29/13/552512913.db2.gz RUURELFYHNQDSX-IUODEOHRSA-N 0 0 383.286 2.500 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CCO2)cn1 ZINC000191753090 552537041 /nfs/dbraw/zinc/53/70/41/552537041.db2.gz VTMVEPXMTJXHMO-CVEARBPZSA-N 0 0 384.263 2.843 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)c3ccc(C)nc3Br)CCO2)cn1 ZINC000191752668 552537044 /nfs/dbraw/zinc/53/70/44/552537044.db2.gz WCHBWURBIBGDID-CQSZACIVSA-N 0 0 379.258 2.583 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000192143516 552552835 /nfs/dbraw/zinc/55/28/35/552552835.db2.gz YXRSCCMBWNFFGZ-UHFFFAOYSA-N 0 0 387.249 2.599 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)N2CCS[C@H](C)CC2)N2CCOCC2)s1 ZINC000192429133 552563622 /nfs/dbraw/zinc/56/36/22/552563622.db2.gz CDPDWOCWSBCFAY-GDBMZVCRSA-N 0 0 383.583 2.967 10 0 GFAERN CCO[C@@H]1C[C@@H](NC(=O)c2ncc(Br)s2)C12CCOCC2 ZINC000192498953 552565849 /nfs/dbraw/zinc/56/58/49/552565849.db2.gz GYOIYBIPRLCUIQ-NXEZZACHSA-N 0 0 375.288 2.610 10 0 GFAERN CCCn1cc(CN2CCCN(C(=O)c3ccoc3Br)CC2)cn1 ZINC000193556517 552996458 /nfs/dbraw/zinc/99/64/58/552996458.db2.gz ONPNGDMTQXQMCS-UHFFFAOYSA-N 0 0 395.301 2.997 10 0 GFAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(Br)c2ccccc12 ZINC000193748553 553002165 /nfs/dbraw/zinc/00/21/65/553002165.db2.gz STJZCDOVOLCIBO-BDJLRTHQSA-N 0 0 377.238 2.523 10 0 GFAERN Cn1nccc1C1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194336142 553017575 /nfs/dbraw/zinc/01/75/75/553017575.db2.gz UOLMIYYSTBIOGE-QGZVFWFLSA-N 0 0 390.281 2.892 10 0 GFAERN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1COc2ccccc21 ZINC000194860634 553032295 /nfs/dbraw/zinc/03/22/95/553032295.db2.gz YQDXCIXPYFUESC-HNNXBMFYSA-N 0 0 389.249 2.819 10 0 GFAERN C[C@H](CNC(=O)N(C)[C@@H](C)c1ccccc1Br)N1CCOCC1 ZINC000195056845 553036835 /nfs/dbraw/zinc/03/68/35/553036835.db2.gz VONLXRMHSQWWRH-KGLIPLIRSA-N 0 0 384.318 2.872 10 0 GFAERN O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCN2CCCC[C@@H]2C1 ZINC000195053645 553036857 /nfs/dbraw/zinc/03/68/57/553036857.db2.gz FFGKYENTIRADBI-QGZVFWFLSA-N 0 0 389.297 2.945 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1F)N1CCO[C@@H]2CCCC[C@H]21 ZINC000228765678 553063823 /nfs/dbraw/zinc/06/38/23/553063823.db2.gz NUNYUXCDZVZYQQ-CHWSQXEVSA-N 0 0 378.263 2.920 10 0 GFAERN CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(C)C ZINC000228464277 553063978 /nfs/dbraw/zinc/06/39/78/553063978.db2.gz UCZCQPSOVIZVEY-LLVKDONJSA-N 0 0 397.722 2.914 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000245724558 553096342 /nfs/dbraw/zinc/09/63/42/553096342.db2.gz IENBPTVOCBSBPD-ZNMIVQPWSA-N 0 0 383.330 2.541 10 0 GFAERN Cc1nc(C[C@H]2CCCN([C@@H](C(N)=O)c3cccc(Br)c3)C2)no1 ZINC000245763820 553096985 /nfs/dbraw/zinc/09/69/85/553096985.db2.gz JAHPWTIKCLKUEF-MLGOLLRUSA-N 0 0 393.285 2.622 10 0 GFAERN Cc1csc([C@H]2CN([C@@H](C(N)=O)c3cccc(Br)c3)CCO2)n1 ZINC000245903247 553098844 /nfs/dbraw/zinc/09/88/44/553098844.db2.gz ULADSCWYQSPURF-ZIAGYGMSSA-N 0 0 396.310 2.814 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1C ZINC000246680261 553111352 /nfs/dbraw/zinc/11/13/52/553111352.db2.gz IPANUKZKXKJSMP-KBPBESRZSA-N 0 0 383.330 2.640 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1C ZINC000246765325 553112697 /nfs/dbraw/zinc/11/26/97/553112697.db2.gz PAUGQNOYNFJVRC-QWRGUYRKSA-N 0 0 375.694 2.630 10 0 GFAERN CS(=O)(=O)Cc1nc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)cs1 ZINC000247689986 553125117 /nfs/dbraw/zinc/12/51/17/553125117.db2.gz VSCGEZRBRXWOEM-DLBZAZTESA-N 0 0 380.535 2.776 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(OC)c(Br)n1 ZINC000248441702 553129509 /nfs/dbraw/zinc/12/95/09/553129509.db2.gz KISQITSDENEPKS-DRZSPHRISA-N 0 0 397.269 2.799 10 0 GFAERN C[C@H]1CN([C@@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000248803089 553134855 /nfs/dbraw/zinc/13/48/55/553134855.db2.gz QVQDDIXXDUMTCN-JYJNAYRXSA-N 0 0 383.583 2.904 10 0 GFAERN C[C@H]1CN([C@H](CNC(=O)N2CCSC[C@@H](C)C2)c2cccs2)CCO1 ZINC000248803082 553135166 /nfs/dbraw/zinc/13/51/66/553135166.db2.gz QVQDDIXXDUMTCN-HRCADAONSA-N 0 0 383.583 2.904 10 0 GFAERN CC[C@@H]1CN(C(=O)c2scc(C)c2Br)CCN1C[C@H](C)O ZINC000249016649 553137929 /nfs/dbraw/zinc/13/79/29/553137929.db2.gz KFHSXJJNKCKHKL-NWDGAFQWSA-N 0 0 375.332 2.736 10 0 GFAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000249160221 553140371 /nfs/dbraw/zinc/14/03/71/553140371.db2.gz JBLHMWQPILSDOA-RYUDHWBXSA-N 0 0 376.507 2.505 10 0 GFAERN O=C([C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](CO)[C@@H](O)C1 ZINC000249657696 553145368 /nfs/dbraw/zinc/14/53/68/553145368.db2.gz ZZNOQCGUQDCFKK-QQDQCYIDSA-N 0 0 388.291 2.663 10 0 GFAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000261896705 553162257 /nfs/dbraw/zinc/16/22/57/553162257.db2.gz HEOGFDYXAXIJAT-PELKAZGASA-N 0 0 375.372 2.553 10 0 GFAERN CSc1cccc(NC(=O)[C@H](C)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1 ZINC000263086893 553181939 /nfs/dbraw/zinc/18/19/39/553181939.db2.gz YBUKVYPDAWTDSQ-ZWKOPEQDSA-N 0 0 376.400 2.930 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000263523163 553189191 /nfs/dbraw/zinc/18/91/91/553189191.db2.gz RYUGDSBIHVGHKT-GTPINHCMSA-N 0 0 381.314 2.834 10 0 GFAERN CC(=O)NCCCN(C)c1cnn(-c2ccc(C)c(Cl)c2)c(=O)c1Cl ZINC000301296801 563399463 /nfs/dbraw/zinc/39/94/63/563399463.db2.gz SDKZXIWBRQPIPY-UHFFFAOYSA-N 0 0 383.279 2.810 10 0 GFAERN Cn1ncnc1CNc1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl ZINC000301425796 563402906 /nfs/dbraw/zinc/40/29/06/563402906.db2.gz GRTGUGDUGFEBFW-UHFFFAOYSA-N 0 0 385.642 2.933 10 0 GFAERN Cn1nc(Br)c2c1ncnc2NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000301889095 563414603 /nfs/dbraw/zinc/41/46/03/563414603.db2.gz QIXLDCIOMPUNSP-UHFFFAOYSA-N 0 0 393.264 2.939 10 0 GFAERN COc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)cc1Cl ZINC000328626919 563461832 /nfs/dbraw/zinc/46/18/32/563461832.db2.gz MELYMSMRYDTHHJ-SNVBAGLBSA-N 0 0 390.292 2.739 10 0 GFAERN CCN1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000380153324 563514403 /nfs/dbraw/zinc/51/44/03/563514403.db2.gz XQWHJJRZQJSKGB-SNVBAGLBSA-N 0 0 381.723 2.865 10 0 GFAERN CCc1nn(C)c(NC(=O)Cn2cc(-c3ccc4c(c3)CCC4=O)cn2)c1C ZINC000023581342 570365997 /nfs/dbraw/zinc/36/59/97/570365997.db2.gz AHEPHRSJOBSSOW-UHFFFAOYSA-N 0 0 377.448 2.922 10 0 GFAERN COCCNC(=O)CCC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000006766148 570576666 /nfs/dbraw/zinc/57/66/66/570576666.db2.gz QTULOHVACPKYCD-HXUWFJFHSA-N 0 0 389.883 2.616 10 0 GFAERN O=C(c1ccccc1F)N1CCN([C@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036255808 570588686 /nfs/dbraw/zinc/58/86/86/570588686.db2.gz MVRJXMJUVSYJNC-FQEVSTJZSA-N 0 0 387.499 2.765 10 0 GFAERN CCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000064999633 570641724 /nfs/dbraw/zinc/64/17/24/570641724.db2.gz DGJSAXSUYXQKBB-UHFFFAOYSA-N 0 0 394.518 2.576 10 0 GFAERN COc1ccc([C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]2C[C@@H](O)C2)cc1F ZINC000244874423 570697752 /nfs/dbraw/zinc/69/77/52/570697752.db2.gz XBASCGPLRQQFPJ-KHYOSLBOSA-N 0 0 379.453 2.933 10 0 GFAERN O=C(c1cccc2nc[nH]c21)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000275732972 570699075 /nfs/dbraw/zinc/69/90/75/570699075.db2.gz UVAHUSCHZHCTAZ-HNNXBMFYSA-N 0 0 377.448 2.852 10 0 GFAERN Cc1ncsc1-c1nc(C[S@](=O)CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000252515144 570983217 /nfs/dbraw/zinc/98/32/17/570983217.db2.gz HOPPWUMQQYGHPY-BCHFWKDKSA-N 0 0 396.538 2.691 10 0 GFAERN NC(=O)COc1ccccc1C(=O)Nc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1 ZINC000072290305 571048759 /nfs/dbraw/zinc/04/87/59/571048759.db2.gz XXBZDDWAYHLLLZ-UHFFFAOYSA-N 0 0 394.475 2.994 10 0 GFAERN C[C@H](NC(=O)c1ccc(Br)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000015555914 654511119 /nfs/dbraw/zinc/51/11/19/654511119.db2.gz VCZBNYJKEDGHOI-QMMMGPOBSA-N 0 0 389.296 2.649 10 0 GFAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000033192080 654609287 /nfs/dbraw/zinc/60/92/87/654609287.db2.gz VRCWYXGPMDYHRW-UWVGGRQHSA-N 0 0 397.909 2.706 10 0 GFAERN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000046496065 654681792 /nfs/dbraw/zinc/68/17/92/654681792.db2.gz IKVBUCSDCJEXIW-ZIAGYGMSSA-N 0 0 377.384 2.764 10 0 GFAERN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000046751989 654684749 /nfs/dbraw/zinc/68/47/49/654684749.db2.gz AHFVKDZTJXSPEA-HUUCEWRRSA-N 0 0 381.259 2.903 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1cccs1 ZINC000048880910 654713334 /nfs/dbraw/zinc/71/33/34/654713334.db2.gz GPVRVFQEABAAOB-SECBINFHSA-N 0 0 386.882 2.621 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1)c1cccs1 ZINC000048881554 654713361 /nfs/dbraw/zinc/71/33/61/654713361.db2.gz LQPXTJOAKZUUAQ-JTQLQIEISA-N 0 0 379.869 2.919 10 0 GFAERN COC(=O)[C@@H](NC(=O)c1ccc(I)cc1)c1ccccc1 ZINC000050512800 654720381 /nfs/dbraw/zinc/72/03/81/654720381.db2.gz KALZLHSLACKBLV-AWEZNQCLSA-N 0 0 395.196 2.935 10 0 GFAERN CN(C(=O)Cc1ccc(Br)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000121983622 654726767 /nfs/dbraw/zinc/72/67/67/654726767.db2.gz ISQNWGLMXWYVFK-MRXNPFEDSA-N 0 0 389.297 2.909 10 0 GFAERN CC(C)(C)OC[C@@H](O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000053420333 654746518 /nfs/dbraw/zinc/74/65/18/654746518.db2.gz KMYWBPUKENSBBB-ZDUSSCGKSA-N 0 0 391.375 2.804 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000124497487 654776502 /nfs/dbraw/zinc/77/65/02/654776502.db2.gz MTEKZTQLASAESK-XHDPSFHLSA-N 0 0 376.881 2.861 10 0 GFAERN C[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000124826450 654781912 /nfs/dbraw/zinc/78/19/12/654781912.db2.gz ZXYFALWCBGXWQJ-SSDOTTSWSA-N 0 0 394.400 2.843 10 0 GFAERN CCOC(=O)N1CCN(C(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000125530430 654796986 /nfs/dbraw/zinc/79/69/86/654796986.db2.gz OLJKLICYVRRXQP-GFCCVEGCSA-N 0 0 384.274 2.994 10 0 GFAERN CSCCCCNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000125929073 654805324 /nfs/dbraw/zinc/80/53/24/654805324.db2.gz GYGVXPUGJDPTTK-INIZCTEOSA-N 0 0 377.535 2.942 10 0 GFAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)c1cccc(Br)c1 ZINC000131379954 654904606 /nfs/dbraw/zinc/90/46/06/654904606.db2.gz YNVRVMDODXIKOO-SDDRHHMPSA-N 0 0 389.315 2.727 10 0 GFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000131983423 654923863 /nfs/dbraw/zinc/92/38/63/654923863.db2.gz PRKWAMANURVDRY-ZDUSSCGKSA-N 0 0 386.882 2.761 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NCCOc1ccc(Br)cc1 ZINC000068269917 654958740 /nfs/dbraw/zinc/95/87/40/654958740.db2.gz MBMOHFGNIICKSX-CQSZACIVSA-N 0 0 387.274 2.715 10 0 GFAERN C[C@H](NC(=O)COc1ccc(Br)cc1F)c1nnc2n1CCCC2 ZINC000135253868 655012784 /nfs/dbraw/zinc/01/27/84/655012784.db2.gz BJCHCKLKCBVAOH-JTQLQIEISA-N 0 0 397.248 2.772 10 0 GFAERN O=C(Cc1cccc(Br)c1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135284664 655013165 /nfs/dbraw/zinc/01/31/65/655013165.db2.gz YDGGEADBNNGMDR-HNNXBMFYSA-N 0 0 375.270 2.567 10 0 GFAERN C[C@@H](NC(=O)c1cc(Br)cnc1Cl)c1nnc2n1CCCC2 ZINC000135293530 655013382 /nfs/dbraw/zinc/01/33/82/655013382.db2.gz PWZXBEHOUOARMX-MRVPVSSYSA-N 0 0 384.665 2.916 10 0 GFAERN O=C([C@H]1CC1(Cl)Cl)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000135542127 655019791 /nfs/dbraw/zinc/01/97/91/655019791.db2.gz OJFUOONOGSAPKV-MRXNPFEDSA-N 0 0 379.291 2.710 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000136460662 655032008 /nfs/dbraw/zinc/03/20/08/655032008.db2.gz NCZLZXSNNHTFDJ-LBPRGKRZSA-N 0 0 384.209 2.620 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc(Cl)s1 ZINC000102082932 655050618 /nfs/dbraw/zinc/05/06/18/655050618.db2.gz ZBYPCDQBIKEDEV-ZCFIWIBFSA-N 0 0 393.774 2.925 10 0 GFAERN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@H](C)C1CCOCC1 ZINC000151593776 655052896 /nfs/dbraw/zinc/05/28/96/655052896.db2.gz QICPBRQJWFOGEX-NXEZZACHSA-N 0 0 390.299 2.987 10 0 GFAERN C[C@H](NC(=O)CNC(=O)OCC(F)(F)F)c1cccc(Br)c1 ZINC000104030616 655078072 /nfs/dbraw/zinc/07/80/72/655078072.db2.gz HTWIRXXBASFJBN-QMMMGPOBSA-N 0 0 383.164 2.915 10 0 GFAERN C[C@H](NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H]1CCCO1 ZINC000105570239 655095057 /nfs/dbraw/zinc/09/50/57/655095057.db2.gz FRLUHPFKBWVTTC-GWCFXTLKSA-N 0 0 394.273 2.601 10 0 GFAERN Cc1cnn(C[C@@H]2CN(Cc3cc4c(cc3Br)OCO4)CCO2)c1 ZINC000106197339 655104717 /nfs/dbraw/zinc/10/47/17/655104717.db2.gz GBLWKLWKNSNASH-AWEZNQCLSA-N 0 0 394.269 2.584 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000106397269 655107840 /nfs/dbraw/zinc/10/78/40/655107840.db2.gz CSCZFVOLPOXBEW-OAHLLOKOSA-N 0 0 379.913 2.992 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000106396780 655107867 /nfs/dbraw/zinc/10/78/67/655107867.db2.gz MLPCAESZSAAINM-GFCCVEGCSA-N 0 0 375.694 2.631 10 0 GFAERN CC[C@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)/C=C/c1ccccc1 ZINC000160857526 655124479 /nfs/dbraw/zinc/12/44/79/655124479.db2.gz VBSDSVZKQIDMLR-TUQDCPSNSA-N 0 0 379.503 2.829 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000161402935 655127083 /nfs/dbraw/zinc/12/70/83/655127083.db2.gz KOJCHBPNAAGLLK-DOTOQJQBSA-N 0 0 392.249 2.903 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000108951370 655139698 /nfs/dbraw/zinc/13/96/98/655139698.db2.gz JMHZUPOADPCYLN-CQSZACIVSA-N 0 0 385.555 2.945 10 0 GFAERN Cc1csc([C@H](OC(=O)c2coc(S(=O)(=O)N(C)C)c2)C(F)(F)F)n1 ZINC000166905012 655142436 /nfs/dbraw/zinc/14/24/36/655142436.db2.gz WEDPYEBYBBBHEH-JTQLQIEISA-N 0 0 398.384 2.755 10 0 GFAERN O=C(COc1ccc(Cl)cc1Cl)N1CCCN(c2cccnn2)CC1 ZINC000109630430 655149208 /nfs/dbraw/zinc/14/92/08/655149208.db2.gz QNLMECRIKIRIQK-UHFFFAOYSA-N 0 0 381.263 2.901 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)c3ccc(Br)cc3)CC2)nn1 ZINC000109632710 655149368 /nfs/dbraw/zinc/14/93/68/655149368.db2.gz PETKBWHAFZKZIX-UHFFFAOYSA-N 0 0 375.270 2.900 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3cc(Br)cs3)CC2)cn1 ZINC000109658525 655149892 /nfs/dbraw/zinc/14/98/92/655149892.db2.gz FYSLYZNOUWCBBC-UHFFFAOYSA-N 0 0 383.315 2.592 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)CCc2ccsc2)CC1 ZINC000109667077 655150237 /nfs/dbraw/zinc/15/02/37/655150237.db2.gz UXMUWAOXEMUQIF-UHFFFAOYSA-N 0 0 380.945 2.974 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cccc(Br)c3)CCO2)n1 ZINC000110899317 655161391 /nfs/dbraw/zinc/16/13/91/655161391.db2.gz VFKHQUWBMXCPLF-INIZCTEOSA-N 0 0 378.270 2.804 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(F)cc3Br)CCO2)n1 ZINC000110900989 655161454 /nfs/dbraw/zinc/16/14/54/655161454.db2.gz GPHDXDLHUWDXSA-CQSZACIVSA-N 0 0 396.260 2.943 10 0 GFAERN O=C(NCCSc1ccc(Cl)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111805373 655177473 /nfs/dbraw/zinc/17/74/73/655177473.db2.gz RQYUDQJPAIDHBQ-HNNXBMFYSA-N 0 0 380.901 2.739 10 0 GFAERN CCOCCN1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000111815350 655177748 /nfs/dbraw/zinc/17/77/48/655177748.db2.gz AQBWMCGAKKGMIP-AWEZNQCLSA-N 0 0 384.318 2.874 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(Br)cc3F)CCO2)c1 ZINC000112066698 655181537 /nfs/dbraw/zinc/18/15/37/655181537.db2.gz YFYMPWYCXAZWGL-ZDUSSCGKSA-N 0 0 382.233 2.634 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(Cn3nc(C)c(Br)c3C)CC2)n1 ZINC000112070615 655181890 /nfs/dbraw/zinc/18/18/90/655181890.db2.gz KMTGSMRWOSJCEF-CYBMUJFWSA-N 0 0 397.321 2.544 10 0 GFAERN O=C(N[C@H]1CCc2c1cccc2Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000173908040 655184902 /nfs/dbraw/zinc/18/49/02/655184902.db2.gz XJCKUEMSTWWBQH-DYVFJYSZSA-N 0 0 394.313 2.553 10 0 GFAERN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000174281475 655196906 /nfs/dbraw/zinc/19/69/06/655196906.db2.gz MPQUEKCMHYTYJQ-JSGCOSHPSA-N 0 0 380.901 2.555 10 0 GFAERN CC(C)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1cccc(Br)c1 ZINC000112747737 655197183 /nfs/dbraw/zinc/19/71/83/655197183.db2.gz YOAUWVKTSHPRFC-CQSZACIVSA-N 0 0 392.301 2.632 10 0 GFAERN O=C(N[C@H]1CCc2ncnn2C1)NC1(c2cccc(Br)c2)CCC1 ZINC000112748747 655197423 /nfs/dbraw/zinc/19/74/23/655197423.db2.gz AXHVHTSBZRDYDX-AWEZNQCLSA-N 0 0 390.285 2.734 10 0 GFAERN Cc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)cc(S(N)(=O)=O)c1C ZINC000174595769 655204697 /nfs/dbraw/zinc/20/46/97/655204697.db2.gz SCHSKFDDMVZCRM-CQSZACIVSA-N 0 0 379.507 2.775 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)N(C)Cc2cscn2)N2CCOCC2)s1 ZINC000174999742 655212243 /nfs/dbraw/zinc/21/22/43/655212243.db2.gz KVWLTTGUSMJKFP-OAHLLOKOSA-N 0 0 380.539 2.728 10 0 GFAERN C[C@H](OC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H]1CCOC1 ZINC000175234358 655216021 /nfs/dbraw/zinc/21/60/21/655216021.db2.gz NUJFSVNMJATTGB-RYUDHWBXSA-N 0 0 395.253 2.517 10 0 GFAERN C[C@@H](OC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@H]1CCOC1 ZINC000175289183 655218207 /nfs/dbraw/zinc/21/82/07/655218207.db2.gz FDSYCLNAIZNLKN-ZJUUUORDSA-N 0 0 376.272 2.551 10 0 GFAERN C[C@H](NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)c1ccccc1Br ZINC000175623423 655223915 /nfs/dbraw/zinc/22/39/15/655223915.db2.gz VEQGKOHRQLRZED-GRDNDAEWSA-N 0 0 396.329 2.872 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(F)cc1Br ZINC000175710849 655225837 /nfs/dbraw/zinc/22/58/37/655225837.db2.gz YMTBSYFITSSALG-ZDUSSCGKSA-N 0 0 382.237 2.822 10 0 GFAERN COc1ncc(C)cc1NC(=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000175836331 655227834 /nfs/dbraw/zinc/22/78/34/655227834.db2.gz NCWYORJGZWWVDY-LLVKDONJSA-N 0 0 392.253 2.977 10 0 GFAERN Cc1cnn(CCNC(=O)Nc2cc(Br)ccc2-n2cccn2)c1 ZINC000175849930 655228989 /nfs/dbraw/zinc/22/89/89/655228989.db2.gz ICCVZSGNQZDLEU-UHFFFAOYSA-N 0 0 389.257 2.961 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(Br)ccc1F)CC2 ZINC000114907397 655230296 /nfs/dbraw/zinc/23/02/96/655230296.db2.gz QMPSCGGYJIGOEZ-JTQLQIEISA-N 0 0 382.237 2.879 10 0 GFAERN Cn1cc([C@@H]2[C@H](C(=O)Nc3ccc(Br)cc3)CCC(=O)N2C)cn1 ZINC000115201646 655233200 /nfs/dbraw/zinc/23/32/00/655233200.db2.gz WYMBCZGSAHNCSG-GDBMZVCRSA-N 0 0 391.269 2.731 10 0 GFAERN C[C@@H](CNC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1)N1CCOCC1 ZINC000116528989 655248929 /nfs/dbraw/zinc/24/89/29/655248929.db2.gz UJMKRVMSCGPTIA-YOEHRIQHSA-N 0 0 383.945 2.860 10 0 GFAERN C[C@H](CNC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1)N1CCOCC1 ZINC000116528987 655249000 /nfs/dbraw/zinc/24/90/00/655249000.db2.gz UJMKRVMSCGPTIA-RHSMWYFYSA-N 0 0 383.945 2.860 10 0 GFAERN CCOCCN1CCN(C(=O)c2cccnc2SC(F)(F)F)C[C@H]1C ZINC000117277237 655262913 /nfs/dbraw/zinc/26/29/13/655262913.db2.gz KCZHFGNOMXZCMI-GFCCVEGCSA-N 0 0 377.432 2.876 10 0 GFAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000117521422 655265114 /nfs/dbraw/zinc/26/51/14/655265114.db2.gz UWJLKLUGRAWMFT-GFCCVEGCSA-N 0 0 388.295 2.501 10 0 GFAERN C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2F)C[C@H]1N1CCOCC1 ZINC000177691249 655286457 /nfs/dbraw/zinc/28/64/57/655286457.db2.gz TVGRJUOVGCRWNT-IAQYHMDHSA-N 0 0 386.265 2.773 10 0 GFAERN Cc1nn(C)c(Cl)c1C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000177966728 655293262 /nfs/dbraw/zinc/29/32/62/655293262.db2.gz ZMKZVPXLXBICFA-ZDUSSCGKSA-N 0 0 382.917 2.589 10 0 GFAERN C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1F ZINC000177968025 655293273 /nfs/dbraw/zinc/29/32/73/655293273.db2.gz HFDVDCBCUNVUQC-ZANVPECISA-N 0 0 394.262 2.616 10 0 GFAERN C[C@H](OC(=O)CCN1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000177969454 655293476 /nfs/dbraw/zinc/29/34/76/655293476.db2.gz YVOHAGXKDUPCFQ-JTQLQIEISA-N 0 0 394.262 2.618 10 0 GFAERN Cc1nc(Cl)ccc1COC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F ZINC000180054518 655321423 /nfs/dbraw/zinc/32/14/23/655321423.db2.gz BCJRPLHVVNUHLQ-LLVKDONJSA-N 0 0 386.832 2.593 10 0 GFAERN C[C@H](OC(=O)Cn1nc2ccccn2c1=O)c1ccccc1Br ZINC000186089209 655367734 /nfs/dbraw/zinc/36/77/34/655367734.db2.gz GRAUJFMDEGEVSM-NSHDSACASA-N 0 0 376.210 2.563 10 0 GFAERN Cc1cc(S(=O)(=O)N(C)C(=O)[C@@H]2CCCO[C@H]2C)ccc1Br ZINC000192228023 655403666 /nfs/dbraw/zinc/40/36/66/655403666.db2.gz PDUHGFZCWXBSKL-WCQYABFASA-N 0 0 390.299 2.720 10 0 GFAERN C[C@@H]1CN(CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)CCS1 ZINC000246081720 655428858 /nfs/dbraw/zinc/42/88/58/655428858.db2.gz DMRBTSVWNTWGBS-SJKOYZFVSA-N 0 0 397.338 2.861 10 0 GFAERN O=C(/C=C\c1ccc(I)o1)N[C@@H]1CCCC[C@@H]1CO ZINC000255580114 655439846 /nfs/dbraw/zinc/43/98/46/655439846.db2.gz DGRVLRDLCVWDPB-QZGOCDAISA-N 0 0 375.206 2.565 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000262733459 655446828 /nfs/dbraw/zinc/44/68/28/655446828.db2.gz BGTIMOMYVAPRDY-UHFFFAOYSA-N 0 0 379.507 2.883 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000263461104 655451930 /nfs/dbraw/zinc/45/19/30/655451930.db2.gz DOOJOGZRBPBLDP-UHFFFAOYSA-N 0 0 384.274 2.817 10 0 GFAERN O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000912939927 664311077 /nfs/dbraw/zinc/31/10/77/664311077.db2.gz DRFVMPFCIWHVNK-HOCLYGCPSA-N 0 0 381.263 2.969 10 0 GFAERN Nc1nnc(-c2ccc(OCc3cccnc3)c(I)c2)o1 ZINC000226321108 222705324 /nfs/dbraw/zinc/70/53/24/222705324.db2.gz KXQRKKUFRYWAHF-UHFFFAOYSA-N 0 0 394.172 2.897 10 0 GFAERN CC(=O)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CCCCC1 ZINC000001368292 212240156 /nfs/dbraw/zinc/24/01/56/212240156.db2.gz VHIHVPZWLZMABH-UHFFFAOYSA-N 0 0 377.510 2.846 10 0 GFAERN CCn1c2nc(/C=C/c3cc(C)c(OC)cc3C)n(C)c2c(=O)n(CC)c1=O ZINC000033984730 212159717 /nfs/dbraw/zinc/15/97/17/212159717.db2.gz KLIDVSSHQJVUSP-MDZDMXLPSA-N 0 0 382.464 2.732 10 0 GFAERN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc2c1OCO2 ZINC000005999032 212117328 /nfs/dbraw/zinc/11/73/28/212117328.db2.gz GROYKMASYUMFER-GESALYCCSA-N 0 0 382.368 2.630 10 0 GFAERN CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCCc2ccccc21 ZINC000007477908 220999390 /nfs/dbraw/zinc/99/93/90/220999390.db2.gz BIILFLCCKOYKGM-IBGZPJMESA-N 0 0 384.432 2.557 10 0 GFAERN O=C(CCc1ccccn1)N1CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2C1 ZINC000012319591 221181174 /nfs/dbraw/zinc/18/11/74/221181174.db2.gz OXPYNGFLXXIBKA-FQEVSTJZSA-N 0 0 379.460 2.717 10 0 GFAERN COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)[C@@H]2C[C@@H]4C=C[C@H]2C4)O3)nn1 ZINC000012279850 221174378 /nfs/dbraw/zinc/17/43/78/221174378.db2.gz BPUALDKGPQWLSU-IDCJVQTKSA-N 0 0 377.444 2.784 10 0 GFAERN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](N(C)Cc1cscn1)CC2 ZINC000014754898 221315441 /nfs/dbraw/zinc/31/54/41/221315441.db2.gz BCEOPBKLGGDZQG-OAHLLOKOSA-N 0 0 399.520 2.731 10 0 GFAERN COC(=O)CNC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc(C)oc2C)s1 ZINC000019146260 221398766 /nfs/dbraw/zinc/39/87/66/221398766.db2.gz XFQQPLROQKGXIY-CQSZACIVSA-N 0 0 390.461 2.838 10 0 GFAERN O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCN(c2ccccc2)CC1 ZINC000065255648 136161944 /nfs/dbraw/zinc/16/19/44/136161944.db2.gz ZDMGCUCVWFSXDM-UHFFFAOYSA-N 0 0 381.407 2.596 10 0 GFAERN CCS(=O)(=O)N1CCN(c2nc(-c3ccco3)nc3ccc(C)cc32)CC1 ZINC000096288716 136186126 /nfs/dbraw/zinc/18/61/26/136186126.db2.gz STZQPBWYPVLJHM-UHFFFAOYSA-N 0 0 386.477 2.670 10 0 GFAERN COc1ccc(Cl)cc1NC(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC000224266117 136206562 /nfs/dbraw/zinc/20/65/62/136206562.db2.gz ZGFZJWOXCWHPBQ-UHFFFAOYSA-N 0 0 376.848 2.534 10 0 GFAERN O=c1n(Cc2ccccc2)nc2n1c1ccccc1c(=O)n2Cc1ccccc1 ZINC000035480062 221826305 /nfs/dbraw/zinc/82/63/05/221826305.db2.gz SPHMHNOETNVASU-UHFFFAOYSA-N 0 0 382.423 2.908 10 0 GFAERN O=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc1 ZINC000065179254 222107895 /nfs/dbraw/zinc/10/78/95/222107895.db2.gz GQOIAIGZADSGHF-MRXNPFEDSA-N 0 0 379.460 2.905 10 0 GFAERN Cn1nc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000065219510 222111959 /nfs/dbraw/zinc/11/19/59/222111959.db2.gz RTJBLPXKZIXOBI-ZDUSSCGKSA-N 0 0 382.851 2.896 10 0 GFAERN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc(Cl)cc3)C1)C(=O)N2 ZINC000065248973 222116619 /nfs/dbraw/zinc/11/66/19/222116619.db2.gz XDTPBHLACIHMOD-GOSISDBHSA-N 0 0 392.864 2.633 10 0 GFAERN O=C(NCCCN1CCOCC1)c1ccn2c(c1)nnc2-c1ccc(Cl)cc1 ZINC000065296144 222122248 /nfs/dbraw/zinc/12/22/48/222122248.db2.gz VLVLFZGGHIODSJ-UHFFFAOYSA-N 0 0 399.882 2.502 10 0 GFAERN O=C1NC[C@H](CN2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)O1 ZINC000067881488 222165921 /nfs/dbraw/zinc/16/59/21/222165921.db2.gz RKUNYPCPQOTUTO-CQSZACIVSA-N 0 0 397.456 2.972 10 0 GFAERN COCC(=O)N1CCCCC[C@H]1C1CCN(Cc2nc(C(C)C)no2)CC1 ZINC000071890527 222198971 /nfs/dbraw/zinc/19/89/71/222198971.db2.gz HEGZGVAVYGUOHZ-KRWDZBQOSA-N 0 0 378.517 2.823 10 0 GFAERN [NH3+][C@H]1C[C@@H](C(=O)[O-])N(Cc2nc3ccccc3n2Cc2ccccc2Cl)C1 ZINC000077358887 222279554 /nfs/dbraw/zinc/27/95/54/222279554.db2.gz STGHPWIIXDFTAJ-KSSFIOAISA-N 0 0 384.867 2.724 10 0 GFAERN Cc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)COc2ccccc2)C3)cc1 ZINC000096269238 222405993 /nfs/dbraw/zinc/40/59/93/222405993.db2.gz NNSCLIKUBMEJDO-IBGZPJMESA-N 0 0 377.444 2.953 10 0 GFAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccncc3)nc(-c3ccccc3F)n2)CC1 ZINC000073685504 527610716 /nfs/dbraw/zinc/61/07/16/527610716.db2.gz QPJFFEQKZXFOEL-UHFFFAOYSA-N 0 0 393.422 2.551 10 0 GFAERN CC(C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000503926458 527868222 /nfs/dbraw/zinc/86/82/22/527868222.db2.gz RNZSVLQYJKHBBY-UHFFFAOYSA-N 0 0 381.837 2.784 10 0 GFAERN CN1CCN(c2ncc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cn2)CC1 ZINC000224254497 536427474 /nfs/dbraw/zinc/42/74/74/536427474.db2.gz VMHZSHVFWDUHBR-UHFFFAOYSA-N 0 0 389.887 2.678 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000028265972 551123821 /nfs/dbraw/zinc/12/38/21/551123821.db2.gz DBOVLKBKECPZKL-ZDUSSCGKSA-N 0 0 375.288 2.592 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000028501148 551124839 /nfs/dbraw/zinc/12/48/39/551124839.db2.gz YVTYJKLJEVINOZ-AWEZNQCLSA-N 0 0 378.416 2.526 10 0 GFAERN CCCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)c2ccc(Cl)s2)CC1 ZINC000048793483 551157525 /nfs/dbraw/zinc/15/75/25/551157525.db2.gz PVUARGGSKCXZHX-LLVKDONJSA-N 0 0 393.962 2.966 10 0 GFAERN CCCNC(=O)CN1CCC(NC(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000049272733 551158701 /nfs/dbraw/zinc/15/87/01/551158701.db2.gz NUTDJLLVYZRGJJ-LBPRGKRZSA-N 0 0 386.949 2.752 10 0 GFAERN COC(=O)C[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)c1cccc(Br)c1 ZINC000054820407 551170809 /nfs/dbraw/zinc/17/08/09/551170809.db2.gz XDXUVYXJXFDPSO-BYCMXARLSA-N 0 0 399.285 2.920 10 0 GFAERN C[C@H](NC(=O)NCC(=O)Nc1cccnc1)c1ccccc1Br ZINC000101605205 551196743 /nfs/dbraw/zinc/19/67/43/551196743.db2.gz IZNVXKDLZYIAKO-NSHDSACASA-N 0 0 377.242 2.843 10 0 GFAERN Cn1cc([C@H]2CCN(CC(=O)Nc3c(F)cc(F)cc3Br)C2)cn1 ZINC000116314176 551211830 /nfs/dbraw/zinc/21/18/30/551211830.db2.gz UONSPINNOLNYPP-JTQLQIEISA-N 0 0 399.239 2.889 10 0 GFAERN COCCN1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)C[C@H]1C ZINC000117476967 551213819 /nfs/dbraw/zinc/21/38/19/551213819.db2.gz VCLGPWCYZRQGBL-KGLIPLIRSA-N 0 0 384.318 2.872 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)c2c[nH]c3cccc(Br)c32)n1 ZINC000121033712 551225734 /nfs/dbraw/zinc/22/57/34/551225734.db2.gz HWXDEZARMPVZCA-CYBMUJFWSA-N 0 0 391.225 2.836 10 0 GFAERN NC(=O)NC1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000121236956 551230241 /nfs/dbraw/zinc/23/02/41/551230241.db2.gz JLFNNAPZAAGLHK-IINYFYTJSA-N 0 0 385.295 2.939 10 0 GFAERN C[C@@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000122749930 551301442 /nfs/dbraw/zinc/30/14/42/551301442.db2.gz BRDBHPFEQRQFEX-LSDHHAIUSA-N 0 0 381.519 2.603 10 0 GFAERN C[C@@H](C(=O)N(C)CC(F)(F)F)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000124442012 551314764 /nfs/dbraw/zinc/31/47/64/551314764.db2.gz RJIIWGOMYRWTMM-LURJTMIESA-N 0 0 383.153 2.999 10 0 GFAERN Cc1ccc(Br)c(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000129231015 551355195 /nfs/dbraw/zinc/35/51/95/551355195.db2.gz OLYFUZBCIBFPBP-XJKSGUPXSA-N 0 0 382.302 2.942 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000132767177 551378772 /nfs/dbraw/zinc/37/87/72/551378772.db2.gz WOEFACPCZGKOHX-CQSZACIVSA-N 0 0 383.267 2.686 10 0 GFAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)O1 ZINC000151780236 551420986 /nfs/dbraw/zinc/42/09/86/551420986.db2.gz ZTHGMHVSJJBEGM-WBMJQRKESA-N 0 0 385.277 2.800 10 0 GFAERN C[C@@H](NC(=O)N(C)Cc1ccc(Br)o1)c1nnc2n1CCCC2 ZINC000153286604 551450169 /nfs/dbraw/zinc/45/01/69/551450169.db2.gz GFECCHYNADGFEA-SNVBAGLBSA-N 0 0 382.262 2.873 10 0 GFAERN O=C(CCNS(=O)(=O)c1cccs1)N[C@H]1CCCc2cc(F)ccc21 ZINC000153347453 551451144 /nfs/dbraw/zinc/45/11/44/551451144.db2.gz MCKQHAHTDGXTKW-HNNXBMFYSA-N 0 0 382.482 2.749 10 0 GFAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153372169 551451223 /nfs/dbraw/zinc/45/12/23/551451223.db2.gz MMHGRUKDERLUNQ-XHDPSFHLSA-N 0 0 382.482 2.748 10 0 GFAERN CSC[C@H]1CCCN1C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000153721650 551459010 /nfs/dbraw/zinc/45/90/10/551459010.db2.gz LHLDIRXFBRFCDS-HZPDHXFCSA-N 0 0 383.583 2.967 10 0 GFAERN O=c1ccnc2sc(N(CCCO)Cc3ccc(Cl)c(Cl)c3)nn21 ZINC000154400079 551474053 /nfs/dbraw/zinc/47/40/53/551474053.db2.gz ZJFRAPXLDHXVSN-UHFFFAOYSA-N 0 0 385.276 2.847 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1CCCO1 ZINC000154571052 551477996 /nfs/dbraw/zinc/47/79/96/551477996.db2.gz IMXFQBOPKLXTQX-QPUJVOFHSA-N 0 0 375.650 2.725 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(Cl)s1 ZINC000154814391 551483252 /nfs/dbraw/zinc/48/32/52/551483252.db2.gz NRWCRDAUVIWGPW-MRVPVSSYSA-N 0 0 397.902 2.984 10 0 GFAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)C2)no1 ZINC000154943022 551486340 /nfs/dbraw/zinc/48/63/40/551486340.db2.gz ZPGAFZFARNAOLN-GFCCVEGCSA-N 0 0 387.864 2.955 10 0 GFAERN CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)c(F)cc2I)C1 ZINC000155675479 551505279 /nfs/dbraw/zinc/50/52/79/551505279.db2.gz LAYCZMHMBYXKSR-SECBINFHSA-N 0 0 394.203 2.784 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)c3c(F)cccc3I)C2)cn1 ZINC000156154651 551516043 /nfs/dbraw/zinc/51/60/43/551516043.db2.gz URMOBNLJJLQTLH-JTQLQIEISA-N 0 0 399.207 2.794 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Br)ccc1C ZINC000157094572 551533073 /nfs/dbraw/zinc/53/30/73/551533073.db2.gz FDDTWXXDGOTPPK-LBPRGKRZSA-N 0 0 399.314 2.725 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(Br)c1)CC2 ZINC000158033781 551546146 /nfs/dbraw/zinc/54/61/46/551546146.db2.gz IFSSNDFJKCJBOE-AWEZNQCLSA-N 0 0 392.301 2.978 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCc1ccccc1Br)CC2 ZINC000158036445 551546353 /nfs/dbraw/zinc/54/63/53/551546353.db2.gz XFCLDGYVAOTANR-CYBMUJFWSA-N 0 0 392.301 2.978 10 0 GFAERN CN(C(=O)c1ccc(Br)c(O)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000161804016 551599019 /nfs/dbraw/zinc/59/90/19/551599019.db2.gz WUYSVNMDLDZMPK-ZDUSSCGKSA-N 0 0 391.269 2.686 10 0 GFAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C[C@@H](C)O1 ZINC000164272015 551624624 /nfs/dbraw/zinc/62/46/24/551624624.db2.gz WTBQJEBTTOIGNI-NXEZZACHSA-N 0 0 376.400 2.757 10 0 GFAERN Cc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)c1ccccc1Br)CC2 ZINC000170756254 551639109 /nfs/dbraw/zinc/63/91/09/551639109.db2.gz FAYOSLSWMABPOF-ZYHUDNBSSA-N 0 0 378.274 2.724 10 0 GFAERN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1cc(Br)ccc1C ZINC000171243293 551651091 /nfs/dbraw/zinc/65/10/91/551651091.db2.gz HSBRPRMVFIMPOH-NSHDSACASA-N 0 0 390.299 2.720 10 0 GFAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000171433487 551655625 /nfs/dbraw/zinc/65/56/25/551655625.db2.gz PNTGEXKZDHYKIA-CQSZACIVSA-N 0 0 375.372 2.845 10 0 GFAERN CC(=O)NC[C@H]1CN(C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CCO1 ZINC000172278524 551674848 /nfs/dbraw/zinc/67/48/48/551674848.db2.gz RJYIPKBZPBKPMO-ONGXEEELSA-N 0 0 392.258 2.740 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000172558196 551682067 /nfs/dbraw/zinc/68/20/67/551682067.db2.gz CCQWPGOXDAFWGQ-GFCCVEGCSA-N 0 0 387.249 2.725 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)[C@@H]3SCCc4sccc43)CC2)no1 ZINC000173306822 552082830 /nfs/dbraw/zinc/08/28/30/552082830.db2.gz XFJBTXJWBFFPDU-MRXNPFEDSA-N 0 0 378.523 2.504 10 0 GFAERN C[C@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccc(Br)s1 ZINC000173398193 552084885 /nfs/dbraw/zinc/08/48/85/552084885.db2.gz WYUKXIFKPQZHCX-AGIUHOORSA-N 0 0 387.343 2.793 10 0 GFAERN C[C@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000173399122 552084945 /nfs/dbraw/zinc/08/49/45/552084945.db2.gz CAYARQZSHZSNIF-JTQLQIEISA-N 0 0 381.263 2.916 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000173771521 552091263 /nfs/dbraw/zinc/09/12/63/552091263.db2.gz WRJHOPOUDZKAJR-ZDUSSCGKSA-N 0 0 375.803 2.752 10 0 GFAERN C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@@H]1N1CCOCC1 ZINC000173817984 552092349 /nfs/dbraw/zinc/09/23/49/552092349.db2.gz BJCOIVUAPXBUQO-PBHICJAKSA-N 0 0 393.325 2.660 10 0 GFAERN CC(C)Oc1cc(Br)cc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000174032964 552097455 /nfs/dbraw/zinc/09/74/55/552097455.db2.gz IWQLNBIWODJXQS-OAHLLOKOSA-N 0 0 383.286 2.929 10 0 GFAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174359233 552102989 /nfs/dbraw/zinc/10/29/89/552102989.db2.gz MZNDHCQKCDFROF-AWEZNQCLSA-N 0 0 380.217 2.806 10 0 GFAERN CC[C@H]1CN(C(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)CCS1 ZINC000175006710 552113549 /nfs/dbraw/zinc/11/35/49/552113549.db2.gz QWZJHQJNMHVWQV-JKSUJKDBSA-N 0 0 383.583 2.967 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)NCCc3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000175454242 552122486 /nfs/dbraw/zinc/12/24/86/552122486.db2.gz YGGGEHRYZJNRCJ-AWEZNQCLSA-N 0 0 384.267 2.746 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(Br)cc1C ZINC000175774754 552128975 /nfs/dbraw/zinc/12/89/75/552128975.db2.gz FNMJNXRHHMEJHR-AWEZNQCLSA-N 0 0 378.274 2.992 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000177005303 552149565 /nfs/dbraw/zinc/14/95/65/552149565.db2.gz SFDPXMDXNBPDHN-ZDUSSCGKSA-N 0 0 375.281 2.848 10 0 GFAERN O=C(c1ccc(I)cc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177776940 552158834 /nfs/dbraw/zinc/15/88/34/552158834.db2.gz JHVCLNQVNKLMOX-CQSZACIVSA-N 0 0 381.217 2.793 10 0 GFAERN C[C@H](NCC(=O)NCC(=O)N1CCCC1)c1c(Cl)ccc(F)c1Cl ZINC000179540037 552196221 /nfs/dbraw/zinc/19/62/21/552196221.db2.gz OWXUXNMZCRXGLD-JTQLQIEISA-N 0 0 376.259 2.522 10 0 GFAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000179644878 552198744 /nfs/dbraw/zinc/19/87/44/552198744.db2.gz BLNOSZCEHQIAMI-HZPDHXFCSA-N 0 0 379.865 2.798 10 0 GFAERN CCCc1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)n(C)n1 ZINC000180565385 552230031 /nfs/dbraw/zinc/23/00/31/552230031.db2.gz VVTYEFBYEYHQMX-NSHDSACASA-N 0 0 393.285 2.951 10 0 GFAERN C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)c1ccc(F)c(Cl)c1 ZINC000180922021 552239887 /nfs/dbraw/zinc/23/98/87/552239887.db2.gz FDOSPPXTBINRIU-JTQLQIEISA-N 0 0 387.864 2.559 10 0 GFAERN COC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181495666 552258278 /nfs/dbraw/zinc/25/82/78/552258278.db2.gz IVDHMSDJBKXRLL-HZPDHXFCSA-N 0 0 385.291 2.883 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000181690052 552265557 /nfs/dbraw/zinc/26/55/57/552265557.db2.gz UIMAHOZKAVQPHP-ZDUSSCGKSA-N 0 0 378.466 2.829 10 0 GFAERN COc1cc(Br)ccc1CCCN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000181923533 552271068 /nfs/dbraw/zinc/27/10/68/552271068.db2.gz JJROUDYHCPZSIT-INIZCTEOSA-N 0 0 395.301 2.890 10 0 GFAERN COc1cc(Br)ccc1CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000182180283 552277584 /nfs/dbraw/zinc/27/75/84/552277584.db2.gz DEJJDTXWEYJIDP-INIZCTEOSA-N 0 0 380.286 2.864 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3cnc(Br)c(C)c3)CCO2)c1 ZINC000182428370 552283727 /nfs/dbraw/zinc/28/37/27/552283727.db2.gz DNCLLPJRRCHWPP-CQSZACIVSA-N 0 0 394.273 2.590 10 0 GFAERN COC(=O)c1cc(NC(=O)N[C@H]2CCCC[C@H]2CO)ccc1Br ZINC000182641102 552289557 /nfs/dbraw/zinc/28/95/57/552289557.db2.gz OPBLKLKVSYRUCA-HZMBPMFUSA-N 0 0 385.258 2.908 10 0 GFAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000182937212 552296263 /nfs/dbraw/zinc/29/62/63/552296263.db2.gz QXQFVPURBXTWHJ-SNVBAGLBSA-N 0 0 382.247 2.816 10 0 GFAERN COc1ccc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)nc1Br ZINC000183111603 552300604 /nfs/dbraw/zinc/30/06/04/552300604.db2.gz PMVLCDJWLGPLHV-UHFFFAOYSA-N 0 0 393.285 2.908 10 0 GFAERN CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C(C)C ZINC000183387496 552307827 /nfs/dbraw/zinc/30/78/27/552307827.db2.gz JIMYYJZRQQMTEM-JTQLQIEISA-N 0 0 385.258 2.725 10 0 GFAERN CN(CC(C)(CO)CO)C(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183526200 552311563 /nfs/dbraw/zinc/31/15/63/552311563.db2.gz CHVBXBZENKHNBQ-GOEBONIOSA-N 0 0 390.307 2.910 10 0 GFAERN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000183597266 552314120 /nfs/dbraw/zinc/31/41/20/552314120.db2.gz GDIIBDNIUQIRMC-JSGCOSHPSA-N 0 0 385.251 2.708 10 0 GFAERN C[C@H](NC(=O)c1cn(CC2(C)COC2)nn1)c1ccccc1Br ZINC000183795880 552319303 /nfs/dbraw/zinc/31/93/03/552319303.db2.gz CPYAWKZMFSKUCV-NSHDSACASA-N 0 0 379.258 2.568 10 0 GFAERN O=S(=O)(c1ccc(-n2cccc2)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000183889363 552321909 /nfs/dbraw/zinc/32/19/09/552321909.db2.gz WFUNRLUUAOLLRO-MRXNPFEDSA-N 0 0 375.475 2.696 10 0 GFAERN C[C@H](CN1CCCC1=O)N[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186125552 552380054 /nfs/dbraw/zinc/38/00/54/552380054.db2.gz NLESGJBDIRHUCY-ACJLOTCBSA-N 0 0 389.297 2.929 10 0 GFAERN C[C@@H](NC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)c1cccs1 ZINC000186189321 552380967 /nfs/dbraw/zinc/38/09/67/552380967.db2.gz WONHJYAXHXJKAD-CYBMUJFWSA-N 0 0 379.507 2.848 10 0 GFAERN CCO[C@H]1C[C@@H](NC(=O)COc2ccc(Br)cc2)C12CCOCC2 ZINC000187133612 552407255 /nfs/dbraw/zinc/40/72/55/552407255.db2.gz NMAOMCOZEQHOBU-CVEARBPZSA-N 0 0 398.297 2.918 10 0 GFAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000187207456 552409465 /nfs/dbraw/zinc/40/94/65/552409465.db2.gz HYBNSVUVLPDGID-GWCFXTLKSA-N 0 0 387.249 2.502 10 0 GFAERN CC[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000187381956 552414314 /nfs/dbraw/zinc/41/43/14/552414314.db2.gz MYZWVRPCLUWGAS-SNVBAGLBSA-N 0 0 376.404 2.533 10 0 GFAERN Cc1cc(Br)cc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000187520938 552417591 /nfs/dbraw/zinc/41/75/91/552417591.db2.gz YORABRXRSYRRHO-LLVKDONJSA-N 0 0 399.314 2.725 10 0 GFAERN COc1cc(Br)ccc1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000187591049 552419848 /nfs/dbraw/zinc/41/98/48/552419848.db2.gz KELDHXVWYHDNIH-ZDUSSCGKSA-N 0 0 393.285 2.890 10 0 GFAERN COc1cc(Br)ccc1CNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000187601359 552420491 /nfs/dbraw/zinc/42/04/91/552420491.db2.gz ASYQHUCLKIDUDS-CYBMUJFWSA-N 0 0 394.273 2.692 10 0 GFAERN CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000187813491 552424701 /nfs/dbraw/zinc/42/47/01/552424701.db2.gz CQKRVMNMIWAHIK-HZPDHXFCSA-N 0 0 398.345 2.742 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000188205047 552439039 /nfs/dbraw/zinc/43/90/39/552439039.db2.gz REDZGUKDVZCZMI-OAHLLOKOSA-N 0 0 386.520 2.896 10 0 GFAERN O=C(NC1CN(C(=O)c2c[nH]c3cccc(Br)c23)C1)C1CCC1 ZINC000188485617 552445943 /nfs/dbraw/zinc/44/59/43/552445943.db2.gz RUDQCOKKPAKLBZ-UHFFFAOYSA-N 0 0 376.254 2.671 10 0 GFAERN O=C(Cc1cc(Cl)ccc1Br)N1CC(NC(=O)C2CCC2)C1 ZINC000188496438 552446581 /nfs/dbraw/zinc/44/65/81/552446581.db2.gz DYWWYXMFAHIMJE-UHFFFAOYSA-N 0 0 385.689 2.772 10 0 GFAERN C[C@@H](NC(=O)c1nc(Br)ccc1Br)[C@H]1CCCO1 ZINC000188599923 552449704 /nfs/dbraw/zinc/44/97/04/552449704.db2.gz POMOJWAEDSZXMS-VXNVDRBHSA-N 0 0 378.064 2.904 10 0 GFAERN CCOc1ccc(NC(=O)C(=O)N2CCS[C@@H](C)C2)cc1Br ZINC000188674435 552451622 /nfs/dbraw/zinc/45/16/22/552451622.db2.gz LAXSGJADYRPSTG-JTQLQIEISA-N 0 0 387.299 2.750 10 0 GFAERN O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188870746 552457552 /nfs/dbraw/zinc/45/75/52/552457552.db2.gz SUNHYZFYCQLHJL-RYUDHWBXSA-N 0 0 397.909 2.674 10 0 GFAERN COc1cc(CN2CCCNC(=O)[C@H]2C)cc(Br)c1OC(F)F ZINC000189098931 552462985 /nfs/dbraw/zinc/46/29/85/552462985.db2.gz WGQUMUYLFBPSKM-SECBINFHSA-N 0 0 393.228 2.770 10 0 GFAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCO2)cn1 ZINC000189219308 552466055 /nfs/dbraw/zinc/46/60/55/552466055.db2.gz UFOCRJJQLAUTBP-HNNXBMFYSA-N 0 0 390.292 2.972 10 0 GFAERN Cc1ccc([C@H](CNC(=O)N2CCSCC[C@@H]2C)N2CCOCC2)s1 ZINC000189444254 552472187 /nfs/dbraw/zinc/47/21/87/552472187.db2.gz HUYZMCXBUKRCBM-HOCLYGCPSA-N 0 0 383.583 2.967 10 0 GFAERN COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000189881701 552481653 /nfs/dbraw/zinc/48/16/53/552481653.db2.gz ONSQUBJUIDWXFA-GXFFZTMASA-N 0 0 394.273 2.945 10 0 GFAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000190758101 552507891 /nfs/dbraw/zinc/50/78/91/552507891.db2.gz CRROPJMUKLTVFW-BXUZGUMPSA-N 0 0 379.258 2.843 10 0 GFAERN O=C1CCCN1C[C@H](O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191466622 552529089 /nfs/dbraw/zinc/52/90/89/552529089.db2.gz CRVAZNZEUHMZTN-QGZVFWFLSA-N 0 0 381.314 2.644 10 0 GFAERN O=C(N1CCO[C@@H](Cn2cccn2)C1)C1(c2ccccc2Br)CC1 ZINC000191595506 552532365 /nfs/dbraw/zinc/53/23/65/552532365.db2.gz GDHTXIPQQXPQNJ-CQSZACIVSA-N 0 0 390.281 2.605 10 0 GFAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(Br)c2F)C1 ZINC000192223911 552556733 /nfs/dbraw/zinc/55/67/33/552556733.db2.gz IWQIXMVGJGMAMQ-BXKDBHETSA-N 0 0 384.205 2.882 10 0 GFAERN Cc1ccc([C@H](CNC(=O)N2CCS[C@@H](C)CC2)N2CCOCC2)s1 ZINC000192429131 552563565 /nfs/dbraw/zinc/56/35/65/552563565.db2.gz CDPDWOCWSBCFAY-HOCLYGCPSA-N 0 0 383.583 2.967 10 0 GFAERN C[C@@H](NC(=O)Nc1ccc2ncsc2c1)c1ccc(S(N)(=O)=O)cc1 ZINC000193189263 552985732 /nfs/dbraw/zinc/98/57/32/552985732.db2.gz WRKRFWQZXXHCFM-SNVBAGLBSA-N 0 0 376.463 2.826 10 0 GFAERN O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000193449564 552993230 /nfs/dbraw/zinc/99/32/30/552993230.db2.gz RSVKUQKXQJCWAF-HIFRSBDPSA-N 0 0 395.297 2.544 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000193538325 552996077 /nfs/dbraw/zinc/99/60/77/552996077.db2.gz QUPOBSUOSWMXQN-HOCLYGCPSA-N 0 0 395.297 2.660 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cc(F)c(F)cc3F)CCO2)n1 ZINC000193947075 553007601 /nfs/dbraw/zinc/00/76/01/553007601.db2.gz HISRKRFCBUHEGW-GFCCVEGCSA-N 0 0 378.397 2.631 10 0 GFAERN Cc1noc(C)c1S(=O)(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193955759 553008214 /nfs/dbraw/zinc/00/82/14/553008214.db2.gz WYRHCQOEKIXWED-LBPRGKRZSA-N 0 0 385.511 2.808 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3F)CCO2)n1 ZINC000193954021 553008286 /nfs/dbraw/zinc/00/82/86/553008286.db2.gz ZAILOSYOKQBXDB-JTQLQIEISA-N 0 0 378.397 2.631 10 0 GFAERN Cn1c(CN2CCN(Cc3ccc(Br)s3)CC2)nnc1C1CC1 ZINC000195027594 553036264 /nfs/dbraw/zinc/03/62/64/553036264.db2.gz VSBMMGFYNROKPJ-UHFFFAOYSA-N 0 0 396.358 2.834 10 0 GFAERN O=C(N[C@H]1CCC[C@@H](O)C1)c1ccc(I)c(Cl)c1 ZINC000226777654 553062098 /nfs/dbraw/zinc/06/20/98/553062098.db2.gz SDBKPAFHZJMORI-VHSXEESVSA-N 0 0 379.625 2.978 10 0 GFAERN CS(=O)(=O)c1ccc(NC(=O)CN2CCCC[C@H]2c2nccs2)cc1 ZINC000195362367 553045985 /nfs/dbraw/zinc/04/59/85/553045985.db2.gz VWVRJKIMXAGEJK-HNNXBMFYSA-N 0 0 379.507 2.712 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000245691840 553095671 /nfs/dbraw/zinc/09/56/71/553095671.db2.gz APXJDRRDSMZXDN-RKVPGOIHSA-N 0 0 395.341 2.807 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000245724548 553096183 /nfs/dbraw/zinc/09/61/83/553096183.db2.gz IENBPTVOCBSBPD-KKUMJFAQSA-N 0 0 383.330 2.541 10 0 GFAERN O[C@@]12CCCC[C@H]1CN(Cc1nnnn1-c1ccccc1Br)CC2 ZINC000247977502 553126980 /nfs/dbraw/zinc/12/69/80/553126980.db2.gz HYSQSMYALCPHJX-SUMWQHHRSA-N 0 0 392.301 2.552 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccs1)[C@H](C)C2 ZINC000248407037 553129524 /nfs/dbraw/zinc/12/95/24/553129524.db2.gz CQDXKTHDTGFTCO-IIYDPXPESA-N 0 0 378.519 2.773 10 0 GFAERN CCn1cc([C@@H]2CN(C[C@@H](O)c3cccc(Br)c3)CCO2)cn1 ZINC000248798699 553134886 /nfs/dbraw/zinc/13/48/86/553134886.db2.gz POJRVNFYLQUWBS-SJORKVTESA-N 0 0 380.286 2.772 10 0 GFAERN C[C@H]1CCN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)[C@H]1CO ZINC000248863185 553135920 /nfs/dbraw/zinc/13/59/20/553135920.db2.gz AJONICPVIVXLBM-ZANVPECISA-N 0 0 375.782 2.537 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2ccc(Br)s2)C1 ZINC000262739926 553174767 /nfs/dbraw/zinc/17/47/67/553174767.db2.gz WCWURUDAAGHUNN-UHFFFAOYSA-N 0 0 387.299 2.568 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000262918100 553179118 /nfs/dbraw/zinc/17/91/18/553179118.db2.gz DNSWHAWTQYYQFO-LLVKDONJSA-N 0 0 395.308 2.553 10 0 GFAERN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1CC(F)(F)CN1 ZINC000262957357 553179607 /nfs/dbraw/zinc/17/96/07/553179607.db2.gz KHWWPESLEFFNMI-ZIAGYGMSSA-N 0 0 375.822 2.729 10 0 GFAERN COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)c1c(O)cc(O)cc1C3 ZINC000004654704 560199047 /nfs/dbraw/zinc/19/90/47/560199047.db2.gz FHUWFKLKKCQTOL-UHFFFAOYSA-N 0 0 380.352 2.892 10 0 in-vitro GFAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000370213260 563237157 /nfs/dbraw/zinc/23/71/57/563237157.db2.gz SZBHWOOPHPRFSQ-STQMWFEESA-N 0 0 396.285 2.629 10 0 GFAERN CCc1csc([C@@H]2CCCN(c3cnn(C)c(=O)c3Br)C2)n1 ZINC000301221353 563396400 /nfs/dbraw/zinc/39/64/00/563396400.db2.gz BNWDCHQZOXYIHD-SNVBAGLBSA-N 0 0 383.315 2.946 10 0 GFAERN O=S(=O)(/C=C/c1ccccc1)N1CCN(c2nnc(C3CC3)s2)CC1 ZINC000301735229 563411748 /nfs/dbraw/zinc/41/17/48/563411748.db2.gz QVVJWHHSCSBDHM-MDWZMJQESA-N 0 0 376.507 2.538 10 0 GFAERN CCS(=O)(=O)N1CC(CNc2ccnc3cc(Br)ccc32)C1 ZINC000302567917 563426915 /nfs/dbraw/zinc/42/69/15/563426915.db2.gz PJUJDAAUKDRPDZ-UHFFFAOYSA-N 0 0 384.299 2.691 10 0 GFAERN O=S(=O)(c1cccc(F)c1)N1CCN(c2ncc(C(F)(F)F)s2)CC1 ZINC000302763917 563429530 /nfs/dbraw/zinc/42/95/30/563429530.db2.gz KXWJKYLRUIVQMY-UHFFFAOYSA-N 0 0 395.403 2.812 10 0 GFAERN O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)NCc1cccc(F)c1 ZINC000032944717 570297790 /nfs/dbraw/zinc/29/77/90/570297790.db2.gz LOMXNRDRRDDKLU-UHFFFAOYSA-N 0 0 379.313 2.871 10 0 GFAERN CN(C)c1nccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 ZINC000224240023 570437248 /nfs/dbraw/zinc/43/72/48/570437248.db2.gz KXYUGCNZWVCJER-UHFFFAOYSA-N 0 0 384.461 2.813 10 0 GFAERN CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CCC(NC(=O)C3CC3)CC2)ncn1 ZINC000435344186 570592119 /nfs/dbraw/zinc/59/21/19/570592119.db2.gz SYNWMJRSRCKZRZ-FXAWDEMLSA-N 0 0 387.528 2.587 10 0 GFAERN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)N3CCN(CC)CC3)C2)s1 ZINC000033078315 570804978 /nfs/dbraw/zinc/80/49/78/570804978.db2.gz UNNZRRZKIKYWEB-OAHLLOKOSA-N 0 0 387.553 2.634 10 0 GFAERN CCC(CC)c1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 ZINC000012542504 570843268 /nfs/dbraw/zinc/84/32/68/570843268.db2.gz QLOJNKUNCRQZBF-DRZSPHRISA-N 0 0 376.482 2.720 10 0 GFAERN CN(C)C[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000027150388 654562904 /nfs/dbraw/zinc/56/29/04/654562904.db2.gz DMQVWQPGDOAMDR-QGZVFWFLSA-N 0 0 380.897 2.533 10 0 GFAERN CCc1nc(COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cs1 ZINC000030949627 654590289 /nfs/dbraw/zinc/59/02/89/654590289.db2.gz DMYQNFRVPOKWOP-HNNXBMFYSA-N 0 0 380.491 2.602 10 0 GFAERN COC(=O)[C@@H]1CCCN(Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000123187686 654752713 /nfs/dbraw/zinc/75/27/13/654752713.db2.gz GGQZWOJTVXDSNB-CYBMUJFWSA-N 0 0 384.270 2.995 10 0 GFAERN Cc1nc(NC(=O)N[C@@H](C)c2nnc3n2CCCC3)ccc1Br ZINC000128399398 654845810 /nfs/dbraw/zinc/84/58/10/654845810.db2.gz ZHJQGIGPXZDIIF-JTQLQIEISA-N 0 0 379.262 2.963 10 0 GFAERN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000066058190 654893949 /nfs/dbraw/zinc/89/39/49/654893949.db2.gz YJVBRMCRILABMG-XLFHBGCDSA-N 0 0 384.263 2.891 10 0 GFAERN O=C(c1cc(I)ccc1O)N1CCC(c2cc[nH]n2)CC1 ZINC000131930663 654922101 /nfs/dbraw/zinc/92/21/01/654922101.db2.gz FLLZZBQFPYUYSS-UHFFFAOYSA-N 0 0 397.216 2.740 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)C[C@H]1N1CCOCC1 ZINC000132904527 654948909 /nfs/dbraw/zinc/94/89/09/654948909.db2.gz ZSXZIGSGQDAOBZ-XHDPSFHLSA-N 0 0 387.705 2.895 10 0 GFAERN CC(C)Oc1ccc(Br)cc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000133074366 654954433 /nfs/dbraw/zinc/95/44/33/654954433.db2.gz PZCJMNZMUASPFE-GFCCVEGCSA-N 0 0 394.273 2.964 10 0 GFAERN Cc1cnn(CCNC(=O)Nc2cccc(F)c2I)c1 ZINC000133543547 654966921 /nfs/dbraw/zinc/96/69/21/654966921.db2.gz JEXQTGIYKNTNTL-UHFFFAOYSA-N 0 0 388.184 2.757 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1F ZINC000070707088 654993749 /nfs/dbraw/zinc/99/37/49/654993749.db2.gz XWLRLOVAUSZORJ-ZDUSSCGKSA-N 0 0 393.278 2.731 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(F)ccc1Br ZINC000135179456 655011305 /nfs/dbraw/zinc/01/13/05/655011305.db2.gz BCWOIQMSMVYMCI-NSHDSACASA-N 0 0 398.236 2.983 10 0 GFAERN COCCN1CCN(C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1=O ZINC000093293441 655017887 /nfs/dbraw/zinc/01/78/87/655017887.db2.gz ZLWYTAPQCBDHOZ-JTQLQIEISA-N 0 0 392.258 2.694 10 0 GFAERN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000135877777 655024958 /nfs/dbraw/zinc/02/49/58/655024958.db2.gz INXVQZWVKWOULG-VXGBXAGGSA-N 0 0 399.285 2.811 10 0 GFAERN O=C(Nc1nnc(CCN2CCOCC2)s1)c1ccc(Cl)c(Cl)c1 ZINC000095116122 655029032 /nfs/dbraw/zinc/02/90/32/655029032.db2.gz GAFWIBUUFATABO-UHFFFAOYSA-N 0 0 387.292 2.972 10 0 GFAERN O=S(=O)(/C=C\c1ccccc1)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000097607487 655036967 /nfs/dbraw/zinc/03/69/67/655036967.db2.gz MECNEHHSNKKEBV-KAMYIIQDSA-N 0 0 378.475 2.639 10 0 GFAERN CC(C)[C@H](C)NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000101769926 655047196 /nfs/dbraw/zinc/04/71/96/655047196.db2.gz RXAWDTPXAXFEIC-ZDUSSCGKSA-N 0 0 382.302 2.961 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000102102538 655050994 /nfs/dbraw/zinc/05/09/94/655050994.db2.gz NJHVBSIATOWZGN-ZDUSSCGKSA-N 0 0 386.279 2.839 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(Cn2nc(C)sc2=S)CC1 ZINC000152689931 655061117 /nfs/dbraw/zinc/06/11/17/655061117.db2.gz WCXFFNURGHLLOR-UHFFFAOYSA-N 0 0 386.978 2.707 10 0 GFAERN CCSc1nn(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c(=S)s1 ZINC000152863232 655062471 /nfs/dbraw/zinc/06/24/71/655062471.db2.gz IXEQPRRQEFVOPB-CYBMUJFWSA-N 0 0 385.584 2.958 10 0 GFAERN NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)ccc1Cl ZINC000153166509 655064974 /nfs/dbraw/zinc/06/49/74/655064974.db2.gz ICKGNMIFERYSON-OAHLLOKOSA-N 0 0 382.844 2.934 10 0 GFAERN C[C@H](NC(=O)CNC(=O)OCC(F)(F)F)c1ccccc1Br ZINC000104017056 655078199 /nfs/dbraw/zinc/07/81/99/655078199.db2.gz ORJRAJTVYAPVBR-QMMMGPOBSA-N 0 0 383.164 2.915 10 0 GFAERN COCCN1CCN(Cc2nc(-c3cccc(Br)c3)no2)C[C@@H]1C ZINC000106109043 655103094 /nfs/dbraw/zinc/10/30/94/655103094.db2.gz DTXQGXJOBXVCNV-ZDUSSCGKSA-N 0 0 395.301 2.652 10 0 GFAERN C[C@@H](C(=O)Nc1ccccc1Br)N1CCC[C@H](Cn2cncn2)C1 ZINC000106173343 655104526 /nfs/dbraw/zinc/10/45/26/655104526.db2.gz TUXWWLSTAVUIIV-KBPBESRZSA-N 0 0 392.301 2.780 10 0 GFAERN Cc1cnn([C@H]2CCCN(CC(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000106222390 655105269 /nfs/dbraw/zinc/10/52/69/655105269.db2.gz YYCNFIWFHAKIPL-AWEZNQCLSA-N 0 0 378.274 2.625 10 0 GFAERN COC(=O)NCCC(=O)O[C@H](C)c1ccc(I)cc1 ZINC000107880337 655125710 /nfs/dbraw/zinc/12/57/10/655125710.db2.gz QXNIBCFFHKDAOE-SECBINFHSA-N 0 0 377.178 2.642 10 0 GFAERN C[C@H](CNC(=O)CCCCOc1ccc(Br)cc1)N1CCOCC1 ZINC000108774841 655137862 /nfs/dbraw/zinc/13/78/62/655137862.db2.gz SVHQRUVIYPFUFB-OAHLLOKOSA-N 0 0 399.329 2.835 10 0 GFAERN O=C1C(=O)N(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c2ccc(Br)cc21 ZINC000164931352 655138839 /nfs/dbraw/zinc/13/88/39/655138839.db2.gz PONHKBJFSQMIQM-XIKOKIGWSA-N 0 0 393.281 2.563 10 0 GFAERN Cn1cc([C@H]2CCCN2CN2C(=O)C(=O)c3cc(Br)ccc32)cn1 ZINC000171361373 655151105 /nfs/dbraw/zinc/15/11/05/655151105.db2.gz LFKJLKUWJLORGM-CQSZACIVSA-N 0 0 389.253 2.507 10 0 GFAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000110512851 655156152 /nfs/dbraw/zinc/15/61/52/655156152.db2.gz PDPOKAJZAMTGSK-CVEARBPZSA-N 0 0 382.913 2.940 10 0 GFAERN CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110885729 655161008 /nfs/dbraw/zinc/16/10/08/655161008.db2.gz OFMZKIGEGRYNPK-CQSZACIVSA-N 0 0 380.491 2.539 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(Br)cc3)CCO2)n1 ZINC000110907104 655161683 /nfs/dbraw/zinc/16/16/83/655161683.db2.gz HHJGAEFETCFUDV-MRXNPFEDSA-N 0 0 378.270 2.804 10 0 GFAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000111344183 655169364 /nfs/dbraw/zinc/16/93/64/655169364.db2.gz UBGRYFMUZSZOEU-GFCCVEGCSA-N 0 0 394.396 2.804 10 0 GFAERN O=S(=O)(c1ccc(Br)s1)N1CCO[C@H](c2nccs2)C1 ZINC000111344047 655169418 /nfs/dbraw/zinc/16/94/18/655169418.db2.gz ORBUYAMCCJSPSR-QMMMGPOBSA-N 0 0 395.325 2.729 10 0 GFAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3ccccc3Br)C2)c1 ZINC000111361532 655171075 /nfs/dbraw/zinc/17/10/75/655171075.db2.gz GGKNNESPODGZOL-CYBMUJFWSA-N 0 0 384.299 2.980 10 0 GFAERN CC[C@@H](NC(=O)N1CCC[C@@H](NC(C)=O)C1)c1nc(C(F)(F)F)cs1 ZINC000173732160 655178424 /nfs/dbraw/zinc/17/84/24/655178424.db2.gz ZERCWZLAVLJJSS-GHMZBOCLSA-N 0 0 378.420 2.923 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000173743268 655179076 /nfs/dbraw/zinc/17/90/76/655179076.db2.gz MSOANZLKQODDAM-NSHDSACASA-N 0 0 375.281 2.747 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(Br)cnc3Cl)CCO2)c1 ZINC000112064165 655181563 /nfs/dbraw/zinc/18/15/63/655181563.db2.gz NKXIVHQIVLJDQV-GFCCVEGCSA-N 0 0 399.676 2.544 10 0 GFAERN CC(C)(C)OC(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1F ZINC000173929578 655186289 /nfs/dbraw/zinc/18/62/89/655186289.db2.gz YXTXCZRZMDTPHH-GFCCVEGCSA-N 0 0 376.425 2.643 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)c(F)c1 ZINC000174238883 655194672 /nfs/dbraw/zinc/19/46/72/655194672.db2.gz RZIVAXGRBIAVBP-ZDUSSCGKSA-N 0 0 393.278 2.731 10 0 GFAERN CCc1csc([C@@H]2CCCN(C(=O)CSc3nnnn3C3CC3)C2)n1 ZINC000113201104 655205183 /nfs/dbraw/zinc/20/51/83/655205183.db2.gz TWIWEZPPWYXUED-LLVKDONJSA-N 0 0 378.527 2.525 10 0 GFAERN CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000175236157 655216277 /nfs/dbraw/zinc/21/62/77/655216277.db2.gz AMSIGHPKMPVHHY-SNVBAGLBSA-N 0 0 395.308 2.543 10 0 GFAERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)n1 ZINC000113944839 655216238 /nfs/dbraw/zinc/21/62/38/655216238.db2.gz KBLISEZXSWQFCO-LLVKDONJSA-N 0 0 388.946 2.969 10 0 GFAERN CNS(=O)(=O)c1ccc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000175488646 655221658 /nfs/dbraw/zinc/22/16/58/655221658.db2.gz BKWTUPFSBRGQPC-LLVKDONJSA-N 0 0 394.396 2.820 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc3c(cccc3Br)[nH]1)CC2 ZINC000114862656 655229806 /nfs/dbraw/zinc/22/98/06/655229806.db2.gz PIOFMSWIFQBYDL-SNVBAGLBSA-N 0 0 388.269 2.829 10 0 GFAERN Cn1cc([C@H]2[C@@H](C(=O)Oc3cccc(Br)c3)CCC(=O)N2C)cn1 ZINC000115202000 655233275 /nfs/dbraw/zinc/23/32/75/655233275.db2.gz FOILGLLTXGUVDF-HOCLYGCPSA-N 0 0 392.253 2.698 10 0 GFAERN O=C(c1nc2ncc(Br)cn2n1)N1CCCC[C@@H]1c1nccs1 ZINC000115365350 655236142 /nfs/dbraw/zinc/23/61/42/655236142.db2.gz HMEBQLDFCHSEOM-SNVBAGLBSA-N 0 0 393.270 2.711 10 0 GFAERN CNc1snc(C)c1C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000176593352 655250558 /nfs/dbraw/zinc/25/05/58/655250558.db2.gz PYQCBNXMCIZULW-DGCLKSJQSA-N 0 0 380.539 2.747 10 0 GFAERN CCOCCN1CCN(c2ccccc2S(=O)(=O)C(F)F)C[C@H]1CC ZINC000116871293 655255187 /nfs/dbraw/zinc/25/51/87/655255187.db2.gz VVTPCJZRFPLHGH-CQSZACIVSA-N 0 0 376.469 2.620 10 0 GFAERN Cc1cnn(CCNC(=O)CCC[S@](=O)c2ccc(Br)cc2)c1 ZINC000117817391 655268319 /nfs/dbraw/zinc/26/83/19/655268319.db2.gz GKBQPMIMSMHEPZ-HSZRJFAPSA-N 0 0 398.326 2.658 10 0 GFAERN Cc1cnn(CCNC(=O)Cn2c(=S)[nH]nc2-c2ccc(Cl)cc2)c1 ZINC000117987264 655270937 /nfs/dbraw/zinc/27/09/37/655270937.db2.gz MMZHKDGUZBOKLL-UHFFFAOYSA-N 0 0 376.873 2.582 10 0 GFAERN COc1ccc([C@@H](C)NC(=O)N[C@H]2CCCn3ncnc32)cc1Br ZINC000177373324 655274397 /nfs/dbraw/zinc/27/43/97/655274397.db2.gz VCGURYSSJUAGCZ-MFKMUULPSA-N 0 0 394.273 2.945 10 0 GFAERN O=C(CCCOc1ccccc1Br)N[C@H]1CCCn2ncnc21 ZINC000177591416 655283163 /nfs/dbraw/zinc/28/31/63/655283163.db2.gz TUBIGQKNBXTPLR-ZDUSSCGKSA-N 0 0 379.258 2.851 10 0 GFAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3cccc(Br)c3)C2)c1 ZINC000177674089 655285290 /nfs/dbraw/zinc/28/52/90/655285290.db2.gz LXOHXRJDCGGVAJ-HNNXBMFYSA-N 0 0 391.269 2.756 10 0 GFAERN O=C(N[C@H]1CCCn2ncnc21)N1CCc2cc(Br)cc(F)c21 ZINC000177884478 655290184 /nfs/dbraw/zinc/29/01/84/655290184.db2.gz ANQOPRMPSHUMGP-LBPRGKRZSA-N 0 0 380.221 2.787 10 0 GFAERN O=C(Cc1cc(Cl)ccc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000119107971 655290719 /nfs/dbraw/zinc/29/07/19/655290719.db2.gz MTLQDXACBGJLNR-AWEZNQCLSA-N 0 0 387.705 2.578 10 0 GFAERN C[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1c(Cl)ccc(F)c1Cl ZINC000119242357 655294923 /nfs/dbraw/zinc/29/49/23/655294923.db2.gz AIATWAHPJJZFLW-LURJTMIESA-N 0 0 381.212 2.864 10 0 GFAERN Cc1ccc(OC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000119924024 655321514 /nfs/dbraw/zinc/32/15/14/655321514.db2.gz AUOPPUFEWPIARD-NSHDSACASA-N 0 0 378.837 2.681 10 0 GFAERN O=S(=O)(Cc1ccc(Br)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000120771367 655343560 /nfs/dbraw/zinc/34/35/60/655343560.db2.gz FGVNCRYTFHYJNI-UHFFFAOYSA-N 0 0 384.299 2.882 10 0 GFAERN O=C(OCC(F)F)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183530054 655352054 /nfs/dbraw/zinc/35/20/54/655352054.db2.gz XJXVBVNAMRMKFZ-CYBMUJFWSA-N 0 0 387.429 2.672 10 0 GFAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)/C=C/c3cccc(Cl)c3)CCO2)c1 ZINC000184146041 655355324 /nfs/dbraw/zinc/35/53/24/655355324.db2.gz PUDUOWDFKABRFN-JZLODUJNSA-N 0 0 381.885 2.546 10 0 GFAERN Cc1ccc(S(=O)(=O)C[C@H](C)NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000186357796 655368950 /nfs/dbraw/zinc/36/89/50/655368950.db2.gz HEHDKBPNEUUCOG-DBTPVHCXSA-N 0 0 379.503 2.748 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000186754100 655371300 /nfs/dbraw/zinc/37/13/00/655371300.db2.gz BJYAGLKDMBQYJN-UHFFFAOYSA-N 0 0 395.308 2.553 10 0 GFAERN CCOC[C@H](C)OC(=O)c1cc(OC)c(OC)cc1I ZINC000190791370 655394825 /nfs/dbraw/zinc/39/48/25/655394825.db2.gz WUBQUEHUMHSSQD-VIFPVBQESA-N 0 0 394.205 2.890 10 0 GFAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(Cl)cc1F ZINC000192599809 655406119 /nfs/dbraw/zinc/40/61/19/655406119.db2.gz MEDWEGJSBCDPIJ-VIFPVBQESA-N 0 0 381.816 2.545 10 0 GFAERN COC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(Br)c(F)c1 ZINC000195277726 655419740 /nfs/dbraw/zinc/41/97/40/655419740.db2.gz CBMCTJNQZPLLBK-CYBMUJFWSA-N 0 0 375.238 2.975 10 0 GFAERN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245736723 655428355 /nfs/dbraw/zinc/42/83/55/655428355.db2.gz UWYCOARVLBOLJE-HZSPNIEDSA-N 0 0 379.551 2.690 10 0 GFAERN CC(=O)N[C@H](CC(=O)O[C@H](C)[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000246406191 655429995 /nfs/dbraw/zinc/42/99/95/655429995.db2.gz AUUWYLSSRALAKD-DIOULYMOSA-N 0 0 384.270 2.985 10 0 GFAERN COc1ccc(CNC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c(Br)c1 ZINC000263535069 655452460 /nfs/dbraw/zinc/45/24/60/655452460.db2.gz YRMFUXAIUZOINM-UHFFFAOYSA-N 0 0 397.313 2.875 10 0 GFAERN C[C@H](NC(=O)c1cc(Br)sc1Br)c1cn(C)nn1 ZINC000720615866 655524541 /nfs/dbraw/zinc/52/45/41/655524541.db2.gz UXLMSLKBDIZKDC-YFKPBYRVSA-N 0 0 394.092 2.893 10 0 GFAERN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900929051 663726394 /nfs/dbraw/zinc/72/63/94/663726394.db2.gz CLDSDJBXINBSSM-FLGGNLOJSA-N 0 0 379.547 2.902 10 0 GFAERN Nc1cn([C@@H]2CCCCO2)nc1C(=O)N[C@H]1CC[C@H](O[C@@H]2CCCCO2)CC1 ZINC000216061480 222574932 /nfs/dbraw/zinc/57/49/32/222574932.db2.gz MDOWQBXYJOGFFM-CIRFHOKZSA-N 0 0 392.500 2.749 10 0 GFAERN CCc1nnc(N2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)s1 ZINC000091646063 230965440 /nfs/dbraw/zinc/96/54/40/230965440.db2.gz XNCTWVTVOGOVRC-UHFFFAOYSA-N 0 0 388.541 2.596 10 0 GFAERN C[C@@H](CCc1ccccc1)NC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O ZINC000002952341 220588600 /nfs/dbraw/zinc/58/86/00/220588600.db2.gz GHDPPGCMKRNOAZ-KRWDZBQOSA-N 0 0 393.487 2.998 10 0 GFAERN C[C@H]1O[C@@H](NC(=O)c2ccccc2F)[C@@H](NC(=O)c2ccccc2F)O[C@@H]1C ZINC000005530739 220879426 /nfs/dbraw/zinc/87/94/26/220879426.db2.gz FKTZWRKOVOUXRB-MWRFHTASSA-N 0 0 390.386 2.601 10 0 GFAERN C[C@@H]1CN(CC(=O)NCCSc2nccn2C)Cc2cc(Cl)ccc2O1 ZINC000011970326 221141301 /nfs/dbraw/zinc/14/13/01/221141301.db2.gz UDEKNQIGUNOGPF-CYBMUJFWSA-N 0 0 394.928 2.565 10 0 GFAERN O=C(N[C@H]1CCCc2ccccc21)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000012020441 221143177 /nfs/dbraw/zinc/14/31/77/221143177.db2.gz JEOLGECLMCHCOJ-SFHVURJKSA-N 0 0 384.457 2.561 10 0 GFAERN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCCCC2)cc1 ZINC000012717197 221221179 /nfs/dbraw/zinc/22/11/79/221221179.db2.gz LUJYZPMMUPIBNN-HXUWFJFHSA-N 0 0 387.524 2.615 10 0 GFAERN COc1cccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)c1 ZINC000012755496 221225982 /nfs/dbraw/zinc/22/59/82/221225982.db2.gz IIAQNUHGGWWOBU-HXUWFJFHSA-N 0 0 392.463 2.664 10 0 GFAERN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cc(C)n[nH]3)C2)c1 ZINC000013596692 221277423 /nfs/dbraw/zinc/27/74/23/221277423.db2.gz XUZIWIXQMPDPJW-MRXNPFEDSA-N 0 0 384.480 2.676 10 0 GFAERN CCCN1c2cc(C(=O)NCc3ccccc3)ccc2N2C(=O)CC[C@@H]2C1=O ZINC000065202253 136160049 /nfs/dbraw/zinc/16/00/49/136160049.db2.gz MIDPDYFZSQGNPI-GOSISDBHSA-N 0 0 377.444 2.869 10 0 GFAERN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC000224255089 136206578 /nfs/dbraw/zinc/20/65/78/136206578.db2.gz RZSXXOWTYLLBEN-UHFFFAOYSA-N 0 0 394.504 2.913 10 0 GFAERN CN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCCCCC2)n1 ZINC000027517202 221652863 /nfs/dbraw/zinc/65/28/63/221652863.db2.gz OCCSGCPZFIJWJK-UHFFFAOYSA-N 0 0 399.499 2.519 10 0 GFAERN O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000035482917 221825803 /nfs/dbraw/zinc/82/58/03/221825803.db2.gz DQBIERCTSYUMIB-AEFFLSMTSA-N 0 0 384.455 2.794 10 0 GFAERN COc1cccc(C2=NN(C(=O)CN(C)C(C)=O)[C@@H](c3ccccc3OC)C2)c1 ZINC000035962508 221836955 /nfs/dbraw/zinc/83/69/55/221836955.db2.gz BWLAKWOWAWJCOW-HXUWFJFHSA-N 0 0 395.459 2.860 10 0 GFAERN CC(C)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COC(C)(C)C ZINC000036158965 221844247 /nfs/dbraw/zinc/84/42/47/221844247.db2.gz KCAAJVCUCWDNLC-ZDUSSCGKSA-N 0 0 393.553 2.860 10 0 GFAERN O=C(NCCc1ccco1)[C@H]1CCCN(C(=O)c2cccn2-c2cccnc2)C1 ZINC000045901766 221965351 /nfs/dbraw/zinc/96/53/51/221965351.db2.gz MBWHQYAXBPMQCC-KRWDZBQOSA-N 0 0 392.459 2.676 10 0 GFAERN Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NC[C@@H]3CCCO3)sc12 ZINC000065294058 222121129 /nfs/dbraw/zinc/12/11/29/222121129.db2.gz WBCSBUSUIPLXTJ-HNNXBMFYSA-N 0 0 385.493 2.522 10 0 GFAERN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(c2nnc3c(Cl)cccn32)C1 ZINC000065312676 222123284 /nfs/dbraw/zinc/12/32/84/222123284.db2.gz OVJVMWOPUNJGFR-LBPRGKRZSA-N 0 0 399.838 2.967 10 0 GFAERN Cc1ccc2nc(C[NH2+][C@H]3CCc4c(c(C(=O)[O-])nn4CC(C)C)C3)cn2c1 ZINC000067757732 222158277 /nfs/dbraw/zinc/15/82/77/222158277.db2.gz AEKQDMZEAKYPJF-HNNXBMFYSA-N 0 0 381.480 2.841 10 0 GFAERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)OCCO2 ZINC000095075236 222329147 /nfs/dbraw/zinc/32/91/47/222329147.db2.gz NSDDYRHWNQRLRY-HNNXBMFYSA-N 0 0 376.453 2.929 10 0 GFAERN CC(C)(C)OC(=O)N1CC[C@H]([S@](=O)c2cccc(Br)n2)C1 ZINC000095083191 222329502 /nfs/dbraw/zinc/32/95/02/222329502.db2.gz NUDJUAOSWHPBQM-CHNSCGDPSA-N 0 0 375.288 2.961 10 0 GFAERN CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1=NS(=O)(=O)c2ccccc21 ZINC000095075038 222329698 /nfs/dbraw/zinc/32/96/98/222329698.db2.gz COERWEMTFJAAKQ-AWEZNQCLSA-N 0 0 393.509 2.857 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2cnc3ccccc3n2)C1 ZINC000095084847 222330232 /nfs/dbraw/zinc/33/02/32/222330232.db2.gz YWCFBOWZHKVPRQ-CYBMUJFWSA-N 0 0 377.466 2.803 10 0 GFAERN CC(C)(C)OC(=O)N1CCC[C@H](CS(=O)(=O)c2ccc(Cl)nn2)C1 ZINC000095085498 222330708 /nfs/dbraw/zinc/33/07/08/222330708.db2.gz ZWYBSKPYHACRNZ-NSHDSACASA-N 0 0 375.878 2.551 10 0 GFAERN O=S(=O)(NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1ccccc1 ZINC000096112921 222381607 /nfs/dbraw/zinc/38/16/07/222381607.db2.gz ZNXNYSJHUKEZQX-INIZCTEOSA-N 0 0 387.436 2.567 10 0 GFAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)Nc1cnn(C)c1)CC2 ZINC000275469103 519469991 /nfs/dbraw/zinc/46/99/91/519469991.db2.gz AIXZPTNSOYERES-QGZVFWFLSA-N 0 0 387.509 2.917 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H]2O[C@H](CNC(=O)OCc3ccccc3)C[C@H]2C1 ZINC000307143371 526427369 /nfs/dbraw/zinc/42/73/69/526427369.db2.gz FJWIJNWULWSJNU-ULQDDVLXSA-N 0 0 376.453 2.937 10 0 GFAERN CCC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064590329 534932583 /nfs/dbraw/zinc/93/25/83/534932583.db2.gz UWCDPQQRQHXJHF-UHFFFAOYSA-N 0 0 397.475 2.934 10 0 GFAERN C[C@H](NC(=O)c1ccccc1OCC(N)=O)c1cccc(Br)c1 ZINC000030465480 551127800 /nfs/dbraw/zinc/12/78/00/551127800.db2.gz SXPWVFRCJJFTMV-NSHDSACASA-N 0 0 377.238 2.804 10 0 GFAERN COC(=O)C[C@H](NC(=O)Nc1nncs1)c1cccc(Br)c1 ZINC000053754838 551167764 /nfs/dbraw/zinc/16/77/64/551167764.db2.gz XGCIISRIONHDNV-JTQLQIEISA-N 0 0 385.243 2.727 10 0 GFAERN Cn1cc([C@@H]2CCN(CC(=O)Nc3c(F)cc(F)cc3Br)C2)cn1 ZINC000116314173 551211956 /nfs/dbraw/zinc/21/19/56/551211956.db2.gz UONSPINNOLNYPP-SNVBAGLBSA-N 0 0 399.239 2.889 10 0 GFAERN Cc1cc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)ccc1Br ZINC000116310481 551211990 /nfs/dbraw/zinc/21/19/90/551211990.db2.gz UITTWNVJFXYNPL-CYBMUJFWSA-N 0 0 377.286 2.919 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)cs1 ZINC000116351299 551212810 /nfs/dbraw/zinc/21/28/10/551212810.db2.gz WPJSLPJOBJSPAB-UHFFFAOYSA-N 0 0 387.477 2.626 10 0 GFAERN O=S(=O)(NCCNc1ccc(-c2ccc(F)cc2)nn1)c1cccs1 ZINC000120014107 551218874 /nfs/dbraw/zinc/21/88/74/551218874.db2.gz HOJMSOYZECCEIW-UHFFFAOYSA-N 0 0 378.454 2.735 10 0 GFAERN O=C(c1cncc(I)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000121366488 551233181 /nfs/dbraw/zinc/23/31/81/551233181.db2.gz RUGFWASSJBJHNQ-ZDUSSCGKSA-N 0 0 382.205 2.777 10 0 GFAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000121689278 551239765 /nfs/dbraw/zinc/23/97/65/551239765.db2.gz UVANMUHKPZSVSZ-UGSOOPFHSA-N 0 0 385.913 2.901 10 0 GFAERN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1Br ZINC000123070055 551302468 /nfs/dbraw/zinc/30/24/68/551302468.db2.gz OFTNBICAKYALKI-GFCCVEGCSA-N 0 0 379.258 2.984 10 0 GFAERN O=C(Nc1cccnc1Br)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000127170360 551337724 /nfs/dbraw/zinc/33/77/24/551337724.db2.gz LQVUTXQMADOBSC-NSHDSACASA-N 0 0 395.282 2.993 10 0 GFAERN C[C@H](NC(=O)NCCN1CCCS1(=O)=O)c1c(Cl)ccc(F)c1Cl ZINC000127670512 551342880 /nfs/dbraw/zinc/34/28/80/551342880.db2.gz WFTPTKQWMSHPOO-VIFPVBQESA-N 0 0 398.287 2.528 10 0 GFAERN CNS(=O)(=O)c1csc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000128798832 551352615 /nfs/dbraw/zinc/35/26/15/551352615.db2.gz NBERZFGMFDQUIY-ZDUSSCGKSA-N 0 0 392.424 2.560 10 0 GFAERN O=C(Cc1cccc(I)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000129821124 551360187 /nfs/dbraw/zinc/36/01/87/551360187.db2.gz KNWUOVVERVUYBJ-OAHLLOKOSA-N 0 0 384.261 2.530 10 0 GFAERN CCN(CC)S(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@H]2C)ccc1Cl ZINC000131288854 551374044 /nfs/dbraw/zinc/37/40/44/551374044.db2.gz VAHGPQGEGLFMFA-CHWSQXEVSA-N 0 0 388.917 2.620 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000153084180 551446283 /nfs/dbraw/zinc/44/62/83/551446283.db2.gz MJRATTYXMPNTAM-SECBINFHSA-N 0 0 385.791 2.933 10 0 GFAERN CS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000154653544 551480339 /nfs/dbraw/zinc/48/03/39/551480339.db2.gz ZFBANJWABUIODC-GDBMZVCRSA-N 0 0 379.503 2.880 10 0 GFAERN Cc1ccc(S(=O)(=O)NCCNc2nn3cc(C(C)(C)C)nc3s2)s1 ZINC000154703039 551480999 /nfs/dbraw/zinc/48/09/99/551480999.db2.gz OGSXZMYDZWOOST-UHFFFAOYSA-N 0 0 399.567 2.849 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CCO2)n1 ZINC000154752073 551482138 /nfs/dbraw/zinc/48/21/38/551482138.db2.gz JWHYYSXDRRDSQX-ZDUSSCGKSA-N 0 0 383.279 2.930 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)c(F)c1 ZINC000154995070 551488294 /nfs/dbraw/zinc/48/82/94/551488294.db2.gz ZMBSQGKZTWWVCG-GFCCVEGCSA-N 0 0 383.221 2.591 10 0 GFAERN COc1ccncc1NC(=O)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000155369927 551498663 /nfs/dbraw/zinc/49/86/63/551498663.db2.gz CGXJXNRYFFAYSV-JTQLQIEISA-N 0 0 378.226 2.669 10 0 GFAERN Cc1cc(Br)cc(CN2CCS(=O)(=O)[C@H](C)C2)c1OC(F)F ZINC000156319079 551519705 /nfs/dbraw/zinc/51/97/05/551519705.db2.gz ZHOZYBSMFCAEOV-SNVBAGLBSA-N 0 0 398.269 2.978 10 0 GFAERN CCN(CC)S(=O)(=O)CC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000156742657 551527307 /nfs/dbraw/zinc/52/73/07/551527307.db2.gz ISIOKBYUTCIWKK-SMDDNHRTSA-N 0 0 393.336 2.885 10 0 GFAERN COc1ccc(Br)c(CC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000158533275 551553340 /nfs/dbraw/zinc/55/33/40/551553340.db2.gz WKHXZRYOINIHOZ-LBPRGKRZSA-N 0 0 378.270 2.750 10 0 GFAERN C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CCCn2ncnc21 ZINC000164776833 551627107 /nfs/dbraw/zinc/62/71/07/551627107.db2.gz VEFVORQGYARABR-RISCZKNCSA-N 0 0 378.274 2.882 10 0 GFAERN CN(C(=O)Nc1ccc(Br)nc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000166026188 551630919 /nfs/dbraw/zinc/63/09/19/551630919.db2.gz YPPOPCBZQAUCTE-ZDUSSCGKSA-N 0 0 391.273 2.767 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000170823771 551640947 /nfs/dbraw/zinc/64/09/47/551640947.db2.gz ZGISZAGNHBHEGT-LDWIPMOCSA-N 0 0 376.048 2.675 10 0 GFAERN C[C@H](NC(=O)NCCc1ccc(I)s1)[C@H]1CCCO1 ZINC000171101237 551646631 /nfs/dbraw/zinc/64/66/31/551646631.db2.gz AWAMOQNCIKZOEE-GXSJLCMTSA-N 0 0 394.278 2.762 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1Br ZINC000171396034 551654732 /nfs/dbraw/zinc/65/47/32/551654732.db2.gz HYGPJIQOZILMTQ-HNNXBMFYSA-N 0 0 391.269 2.793 10 0 GFAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)cn1 ZINC000171433517 551655784 /nfs/dbraw/zinc/65/57/84/551655784.db2.gz RNZHXCHQXRFVGZ-JTQLQIEISA-N 0 0 376.301 2.770 10 0 GFAERN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1Br ZINC000171615953 551659061 /nfs/dbraw/zinc/65/90/61/551659061.db2.gz NFOQSSSMPJUFEO-SNVBAGLBSA-N 0 0 395.305 2.755 10 0 GFAERN O=C(CN1CCO[C@H](c2nccs2)C1)Nc1nc(-c2ccco2)cs1 ZINC000171662981 551660449 /nfs/dbraw/zinc/66/04/49/551660449.db2.gz SVNKGOFRBWXFJZ-ZDUSSCGKSA-N 0 0 376.463 2.872 10 0 GFAERN O=C(CN1CCO[C@@H](c2nccs2)C1)Nc1ccccc1Br ZINC000171667688 551660853 /nfs/dbraw/zinc/66/08/53/551660853.db2.gz COOUPUVZTHORMB-CYBMUJFWSA-N 0 0 382.283 2.918 10 0 GFAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000172559736 551681986 /nfs/dbraw/zinc/68/19/86/551681986.db2.gz KPVWFTHWPVKFCM-HZPDHXFCSA-N 0 0 378.519 2.939 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(C(=O)Cc2cc(Br)ccc2OC)C1 ZINC000172936417 551690068 /nfs/dbraw/zinc/69/00/68/551690068.db2.gz FGQTZAXPONNCNF-HNNXBMFYSA-N 0 0 397.313 2.908 10 0 GFAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000173049383 551693632 /nfs/dbraw/zinc/69/36/32/551693632.db2.gz DGSGENSJKGVHJQ-QWHCGFSZSA-N 0 0 378.270 2.966 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(Br)cc3Cl)CCO2)[nH]1 ZINC000173098419 551696134 /nfs/dbraw/zinc/69/61/34/551696134.db2.gz MWANAKMTTNSTLZ-GFCCVEGCSA-N 0 0 399.676 2.997 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000173131469 552078676 /nfs/dbraw/zinc/07/86/76/552078676.db2.gz FMWNISZABQHXND-AWEZNQCLSA-N 0 0 378.416 2.934 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)C[C@@H]1N1CCOCC1 ZINC000173398776 552084899 /nfs/dbraw/zinc/08/48/99/552084899.db2.gz VSZAKLIHFXLJPJ-PXAZEXFGSA-N 0 0 392.297 2.723 10 0 GFAERN CC(C)c1csc([C@@H]2CCCN(Cc3nc(CS(C)(=O)=O)no3)C2)n1 ZINC000173802375 552091871 /nfs/dbraw/zinc/09/18/71/552091871.db2.gz UJJVTXSQGNXDII-GFCCVEGCSA-N 0 0 384.527 2.574 10 0 GFAERN C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000173804354 552092030 /nfs/dbraw/zinc/09/20/30/552092030.db2.gz ADBRDXMXMLYSNZ-PBHICJAKSA-N 0 0 381.314 2.561 10 0 GFAERN C[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@@H]1N1CCOCC1 ZINC000173967925 552096276 /nfs/dbraw/zinc/09/62/76/552096276.db2.gz WUABVHGAYPCCGT-HIFRSBDPSA-N 0 0 377.535 2.568 10 0 GFAERN COC(=O)c1ccsc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000174612539 552106738 /nfs/dbraw/zinc/10/67/38/552106738.db2.gz XMDOOKHIZVIPTL-IUCAKERBSA-N 0 0 378.372 2.711 10 0 GFAERN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CCN1C[C@@H](C)O ZINC000174629763 552107631 /nfs/dbraw/zinc/10/76/31/552107631.db2.gz RRLJHMWQJBEQLF-VXGBXAGGSA-N 0 0 383.901 2.974 10 0 GFAERN Cc1ccc([C@H](CNC(=O)N2CCS[C@H](C)[C@@H]2C)N2CCOCC2)s1 ZINC000175013068 552113817 /nfs/dbraw/zinc/11/38/17/552113817.db2.gz ZGSHXVHQMJTTEA-XHSDSOJGSA-N 0 0 383.583 2.965 10 0 GFAERN COc1cc(Br)c(NC(=O)N[C@H]2CCCn3ncnc32)cc1OC ZINC000175960524 552133228 /nfs/dbraw/zinc/13/32/28/552133228.db2.gz JGVURSGPDKBDJT-JTQLQIEISA-N 0 0 396.245 2.714 10 0 GFAERN CSc1cc(C(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)ccn1 ZINC000176555299 552141321 /nfs/dbraw/zinc/14/13/21/552141321.db2.gz PATODIVLBGLFKL-OAHLLOKOSA-N 0 0 377.535 2.977 10 0 GFAERN CCc1nnc(CN2CCN(Cc3ccc(Br)c(F)c3)CC2)n1C ZINC000177709318 552157298 /nfs/dbraw/zinc/15/72/98/552157298.db2.gz IZDJMFJXGMTRHP-UHFFFAOYSA-N 0 0 396.308 2.597 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000177718375 552157788 /nfs/dbraw/zinc/15/77/88/552157788.db2.gz MQJXVJKEHGNXAT-MFKMUULPSA-N 0 0 379.258 2.768 10 0 GFAERN Cc1csc(CNC(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)n1 ZINC000178487046 552171260 /nfs/dbraw/zinc/17/12/60/552171260.db2.gz WDILXLCAOZPAAB-ZIAGYGMSSA-N 0 0 380.539 2.774 10 0 GFAERN C[C@@H](NC(=O)c1cc2c(c(Br)c1)OCO2)c1nnc2n1CCCC2 ZINC000178602805 552172977 /nfs/dbraw/zinc/17/29/77/552172977.db2.gz XBVGLYAIBZXJAF-SECBINFHSA-N 0 0 393.241 2.597 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000178989484 552181188 /nfs/dbraw/zinc/18/11/88/552181188.db2.gz SHPUMUCYDYSIEV-CYBMUJFWSA-N 0 0 386.880 2.800 10 0 GFAERN CC(=O)N[C@H](CC(=O)N[C@H]1CCCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000179238285 552187861 /nfs/dbraw/zinc/18/78/61/552187861.db2.gz UQLCISWTUXPSGY-HYVNUMGLSA-N 0 0 397.313 2.684 10 0 GFAERN CC(=O)N[C@H]1CCCN(C(=O)CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)C1 ZINC000179540354 552196086 /nfs/dbraw/zinc/19/60/86/552196086.db2.gz GEQMOAOACNWTMF-JQWIXIFHSA-N 0 0 390.286 2.910 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)c1nccn1-c1cccc(Cl)c1C ZINC000179620972 552197606 /nfs/dbraw/zinc/19/76/06/552197606.db2.gz NVPQIVOLNKRVGK-UHFFFAOYSA-N 0 0 379.873 2.728 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000179990891 552208987 /nfs/dbraw/zinc/20/89/87/552208987.db2.gz NNWDJHGPIFTYLX-KBPBESRZSA-N 0 0 383.279 2.702 10 0 GFAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000180235516 552218670 /nfs/dbraw/zinc/21/86/70/552218670.db2.gz FQPUWFLTVNBUPZ-CMPLNLGQSA-N 0 0 394.324 2.778 10 0 GFAERN CN(CCS(C)(=O)=O)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180708349 552233388 /nfs/dbraw/zinc/23/33/88/552233388.db2.gz JNIHBKNHUACLDK-AWEZNQCLSA-N 0 0 378.416 2.843 10 0 GFAERN COCc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)ncn1 ZINC000181348776 552253902 /nfs/dbraw/zinc/25/39/02/552253902.db2.gz XWABLKZSTSDDQM-VIFPVBQESA-N 0 0 383.235 2.746 10 0 GFAERN COC(=O)C1(CNC(=O)N[C@H](C)c2ccccc2Br)CCOCC1 ZINC000181546704 552260661 /nfs/dbraw/zinc/26/06/61/552260661.db2.gz HIFJPJSOLWKKNE-GFCCVEGCSA-N 0 0 399.285 2.779 10 0 GFAERN Cc1cc(N2CCC[C@H](N[C@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000182349876 552281553 /nfs/dbraw/zinc/28/15/53/552281553.db2.gz MBZYKLQKULSESX-MNOVXSKESA-N 0 0 398.330 2.794 10 0 GFAERN O=C(Nc1cc(F)c(Br)c(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000182496819 552285652 /nfs/dbraw/zinc/28/56/52/552285652.db2.gz QXVUVMIQZGWDIU-NSHDSACASA-N 0 0 390.228 2.666 10 0 GFAERN CCCN(C)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183508863 552311899 /nfs/dbraw/zinc/31/18/99/552311899.db2.gz RATFPZQUQCDRJG-MRXNPFEDSA-N 0 0 378.519 2.732 10 0 GFAERN Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000184831735 552345462 /nfs/dbraw/zinc/34/54/62/552345462.db2.gz CMQXZKZGMAJQSH-GFCCVEGCSA-N 0 0 386.265 2.835 10 0 GFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(F)ccc2Cl)C12CCOCC2 ZINC000185156772 552355965 /nfs/dbraw/zinc/35/59/65/552355965.db2.gz PHBFCLDXNKUMDW-HUUCEWRRSA-N 0 0 377.865 2.732 10 0 GFAERN CN(CCS(C)(=O)=O)C(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000185180913 552356522 /nfs/dbraw/zinc/35/65/22/552356522.db2.gz YXDYPGUXCHJBJE-HIFRSBDPSA-N 0 0 394.320 2.964 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)c1nc(Br)ccc1Br ZINC000188009632 552431201 /nfs/dbraw/zinc/43/12/01/552431201.db2.gz RQZCXZTYHWMPBN-PSASIEDQSA-N 0 0 392.091 2.888 10 0 GFAERN C[C@H]1CN([C@@H](CNC(=O)c2cn3ccnc3s2)c2cccs2)CCO1 ZINC000188484948 552446183 /nfs/dbraw/zinc/44/61/83/552446183.db2.gz WQRCJOUEMQDIRS-STQMWFEESA-N 0 0 376.507 2.649 10 0 GFAERN CCn1cc([C@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCO2)cn1 ZINC000189219327 552466053 /nfs/dbraw/zinc/46/60/53/552466053.db2.gz UFOCRJJQLAUTBP-OAHLLOKOSA-N 0 0 390.292 2.972 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000189314307 552468724 /nfs/dbraw/zinc/46/87/24/552468724.db2.gz HXMUFYPBEQOKHU-UONOGXRCSA-N 0 0 395.257 2.541 10 0 GFAERN C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189429643 552471440 /nfs/dbraw/zinc/47/14/40/552471440.db2.gz ZZGLGDLWRMLPRR-SNVBAGLBSA-N 0 0 383.311 2.667 10 0 GFAERN CCN1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)C1 ZINC000190553570 552500896 /nfs/dbraw/zinc/50/08/96/552500896.db2.gz QJQQKHJYKFCCBU-DZGCQCFKSA-N 0 0 390.933 2.516 10 0 GFAERN O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@H]1COc2ccccc21 ZINC000191170382 552520230 /nfs/dbraw/zinc/52/02/30/552520230.db2.gz GGDHGWPJZMHVNA-LBPRGKRZSA-N 0 0 397.175 2.916 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)C1(c3ccccc3Br)CC1)CC2 ZINC000191672766 552534729 /nfs/dbraw/zinc/53/47/29/552534729.db2.gz BSWXSODXEDOFHX-LBPRGKRZSA-N 0 0 389.297 2.766 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Cc3ccc(Br)cc3)CCO2)cn1 ZINC000191768031 552537422 /nfs/dbraw/zinc/53/74/22/552537422.db2.gz LQWMGNNNBHKCDT-MRXNPFEDSA-N 0 0 378.270 2.808 10 0 GFAERN O=C(Nc1c(F)cc(F)cc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000192286548 552558435 /nfs/dbraw/zinc/55/84/35/552558435.db2.gz ISRYZQSBGLPQHK-NSHDSACASA-N 0 0 390.228 2.666 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCc2ccccc2Br)C1 ZINC000192374732 552561133 /nfs/dbraw/zinc/56/11/33/552561133.db2.gz GKPIBMFYNSOPGQ-GXTWGEPZSA-N 0 0 395.257 2.812 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[C@H]1CCCO1 ZINC000192957439 552978925 /nfs/dbraw/zinc/97/89/25/552978925.db2.gz WSIMSKASBULGRX-ZUZCIYMTSA-N 0 0 381.270 2.560 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193342481 552990662 /nfs/dbraw/zinc/99/06/62/552990662.db2.gz GJECQSQQEQLZRX-BBRMVZONSA-N 0 0 395.297 2.544 10 0 GFAERN CC(C)c1nnc(C[S@@](=O)Cc2cn3cc(Br)ccc3n2)n1C ZINC000194268128 553015984 /nfs/dbraw/zinc/01/59/84/553015984.db2.gz RTELSVHLYYWKTK-QHCPKHFHSA-N 0 0 396.314 2.798 10 0 GFAERN Cc1cccc(C(=O)N2CCN3CCCC[C@@H]3C2)c1I ZINC000195057921 553036721 /nfs/dbraw/zinc/03/67/21/553036721.db2.gz VUZBSKJUHIBUIP-CYBMUJFWSA-N 0 0 384.261 2.910 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Cc1ccc(Br)cc1)CC2 ZINC000195264668 553043134 /nfs/dbraw/zinc/04/31/34/553043134.db2.gz AAXXEUMOBZNKIS-CQSZACIVSA-N 0 0 377.286 2.838 10 0 GFAERN COC(=O)c1ccc(Nc2ncncc2I)cc1OC ZINC000223508215 553056474 /nfs/dbraw/zinc/05/64/74/553056474.db2.gz HCZQVHUGSFQHHZ-UHFFFAOYSA-N 0 0 385.161 2.620 10 0 GFAERN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1ccc(Cl)c(Br)c1 ZINC000236520543 553069100 /nfs/dbraw/zinc/06/91/00/553069100.db2.gz NFDSZKUAXWXWPP-NOZJJQNGSA-N 0 0 382.707 2.932 10 0 GFAERN C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCCO1 ZINC000245526234 553092265 /nfs/dbraw/zinc/09/22/65/553092265.db2.gz OYUOCWLOUVSXOR-LKTVYLICSA-N 0 0 386.279 2.965 10 0 GFAERN NC(=O)[C@H](c1cccc(Br)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000245897767 553098997 /nfs/dbraw/zinc/09/89/97/553098997.db2.gz SUQJVFNSMZIFCB-OLZOCXBDSA-N 0 0 382.283 2.506 10 0 GFAERN COCCN1CCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000247869949 553125706 /nfs/dbraw/zinc/12/57/06/553125706.db2.gz XIRPPORXKAAKCV-ZIAGYGMSSA-N 0 0 388.339 2.823 10 0 GFAERN Cc1csc([C@@H]2CCCN(C[C@@H](O)c3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000249907667 553146942 /nfs/dbraw/zinc/14/69/42/553146942.db2.gz VFZPQRXXGHMQOM-NVXWUHKLSA-N 0 0 380.535 2.768 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000262527881 553171920 /nfs/dbraw/zinc/17/19/20/553171920.db2.gz RZTBPDUVFWNJTK-LBPRGKRZSA-N 0 0 388.295 2.803 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000263100261 553182400 /nfs/dbraw/zinc/18/24/00/553182400.db2.gz WIHBZQFABTYDDB-QGLTVNCISA-N 0 0 398.301 2.747 10 0 GFAERN CCN1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263281095 553185483 /nfs/dbraw/zinc/18/54/83/553185483.db2.gz UGEGBLOHIHQVBC-KKUMJFAQSA-N 0 0 375.822 2.728 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cccc(Br)c2C)C1 ZINC000263504061 553188677 /nfs/dbraw/zinc/18/86/77/553188677.db2.gz UWNPMKHFVAOODB-UHFFFAOYSA-N 0 0 384.274 2.817 10 0 GFAERN COC(=O)c1cc(N2CC[C@@H](C)[C@@H](O)C2)c2cc(Br)ccc2n1 ZINC000301964411 563417322 /nfs/dbraw/zinc/41/73/22/563417322.db2.gz WCXLDDAADXALRQ-HWPZZCPQSA-N 0 0 379.254 2.991 10 0 GFAERN COC(=O)c1ccc(F)c(CNc2ncnc3c2c(Br)nn3C)c1 ZINC000302187323 563422560 /nfs/dbraw/zinc/42/25/60/563422560.db2.gz PZNKKESEWCKHGU-UHFFFAOYSA-N 0 0 394.204 2.664 10 0 GFAERN Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1I ZINC000398682417 563532850 /nfs/dbraw/zinc/53/28/50/563532850.db2.gz KUFNANJDARLALL-AVGNSLFASA-N 0 0 385.245 2.833 10 0 GFAERN O=C(c1csc(I)c1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398807313 563533706 /nfs/dbraw/zinc/53/37/06/563533706.db2.gz UDFJDEPYTPTYQR-NGZCFLSTSA-N 0 0 377.247 2.586 10 0 GFAERN C[C@H](NC(=O)NCCNC(=O)c1ccco1)c1cccc(Br)c1 ZINC000500399604 564952151 /nfs/dbraw/zinc/95/21/51/564952151.db2.gz FVDPZZRSCDOUGC-NSHDSACASA-N 0 0 380.242 2.832 10 0 GFAERN COc1ccnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3n2C)c1OC ZINC000022063555 570303905 /nfs/dbraw/zinc/30/39/05/570303905.db2.gz NQWYXCHABHQOMJ-HHHXNRCGSA-N 0 0 397.403 2.895 10 0 in-vitro GFAERN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(C)=O)CC1 ZINC000036209996 570570864 /nfs/dbraw/zinc/57/08/64/570570864.db2.gz QSRIKDFIBICCAM-ACJLOTCBSA-N 0 0 393.915 2.612 10 0 GFAERN CCC(=O)N1CCC([C@H](NC(=O)c2cccc(C)c2)C(=O)N[C@@H](C)CC)CC1 ZINC000036211973 570572827 /nfs/dbraw/zinc/57/28/27/570572827.db2.gz HSNDJBUHNNUBGM-JXFKEZNVSA-N 0 0 387.524 2.657 10 0 GFAERN C[C@@H](NC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)c1ccccc1 ZINC000006798667 570599861 /nfs/dbraw/zinc/59/98/61/570599861.db2.gz SYYWDZAJFQQFKP-GDBMZVCRSA-N 0 0 399.520 2.759 10 0 GFAERN O=C(c1ccc2[nH]ccc2c1)N1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)c1ccccc1 ZINC000097125817 570664798 /nfs/dbraw/zinc/66/47/98/570664798.db2.gz UTWQSODFCWZWLJ-ZWOKBUDYSA-N 0 0 395.484 2.749 10 0 GFAERN C[C@H]1CN2C=NC(N3CCN(C(=O)Nc4ccc(Cl)cc4F)CC3)=CC2=N1 ZINC000065265506 570766534 /nfs/dbraw/zinc/76/65/34/570766534.db2.gz BZTWINXIZQDGHY-LBPRGKRZSA-N 0 0 390.850 2.615 10 0 GFAERN CN1OC[C@H](S(=O)(=O)N2CCc3ccccc3C2)[C@H]1c1cc(F)ccc1F ZINC000105050191 570913880 /nfs/dbraw/zinc/91/38/80/570913880.db2.gz HZZBPBQJFCHZKZ-RBUKOAKNSA-N 0 0 394.443 2.640 10 0 GFAERN O=C(N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 ZINC000097086828 570936740 /nfs/dbraw/zinc/93/67/40/570936740.db2.gz HNORNSNPGWJVQP-UBHSHLNASA-N 0 0 385.445 2.902 10 0 GFAERN C[C@@H](C(=O)Nc1cccc(I)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000025412774 654549632 /nfs/dbraw/zinc/54/96/32/654549632.db2.gz PUNUKBUSKTWOKQ-UTUOFQBUSA-N 0 0 388.249 2.727 10 0 GFAERN C[C@@H](NC(=O)CCOc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000031545985 654595418 /nfs/dbraw/zinc/59/54/18/654595418.db2.gz WHCCAQNZMGJKRY-GFCCVEGCSA-N 0 0 382.869 2.634 10 0 GFAERN Nc1c(Cl)cc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1Cl ZINC000041819342 654632387 /nfs/dbraw/zinc/63/23/87/654632387.db2.gz WNRHTFXBHHWAJW-CQSZACIVSA-N 0 0 377.235 2.985 10 0 GFAERN C[C@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1cccs1 ZINC000048768077 654713006 /nfs/dbraw/zinc/71/30/06/654713006.db2.gz ZNHMXVSFDAUNJC-HZMBPMFUSA-N 0 0 376.404 2.682 10 0 GFAERN CNS(=O)(=O)c1cc(C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)c(C)o1 ZINC000122122497 654729244 /nfs/dbraw/zinc/72/92/44/654729244.db2.gz LPVWKBYWEXVGQW-JTQLQIEISA-N 0 0 398.384 2.721 10 0 GFAERN COC(=O)[C@H](c1cccc(Br)c1)N(C)C[C@H](O)COC(C)(C)C ZINC000122328564 654734152 /nfs/dbraw/zinc/73/41/52/654734152.db2.gz LJLKXEUCKFMQKD-GJZGRUSLSA-N 0 0 388.302 2.771 10 0 GFAERN NC(=O)c1ccccc1COC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000124120152 654771019 /nfs/dbraw/zinc/77/10/19/654771019.db2.gz BLVNFFMZOSOGGY-AWEZNQCLSA-N 0 0 376.206 2.767 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1cnc(-c2cccs2)o1 ZINC000124604830 654779232 /nfs/dbraw/zinc/77/92/32/654779232.db2.gz KVJCCTUOGDSLSX-CYBMUJFWSA-N 0 0 384.479 2.651 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1)c1ccc(Cl)s1 ZINC000125429472 654794270 /nfs/dbraw/zinc/79/42/70/654794270.db2.gz OZGRSBMQWIDXIB-JTQLQIEISA-N 0 0 375.841 2.798 10 0 GFAERN O=S(=O)(/C=C/c1ccccc1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000126038070 654807750 /nfs/dbraw/zinc/80/77/50/654807750.db2.gz GJKFIQHTSXTODD-MVIRQZGPSA-N 0 0 379.503 2.873 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)NCc3ccc(O)c(Br)c3)C2)cn1 ZINC000126226359 654810818 /nfs/dbraw/zinc/81/08/18/654810818.db2.gz DAEMGGWMHZPDJI-GFCCVEGCSA-N 0 0 379.258 2.587 10 0 GFAERN CN(Cc1nccs1)C(=O)[C@H]1CCC[C@@H]1C(=O)N(C)Cc1nccs1 ZINC000126822271 654821877 /nfs/dbraw/zinc/82/18/77/654821877.db2.gz YYTYSLXEQCZYQO-STQMWFEESA-N 0 0 378.523 2.633 10 0 GFAERN O=C(CCCS(=O)(=O)N1CCCC1)Oc1ccc(F)cc1Br ZINC000127192091 654825887 /nfs/dbraw/zinc/82/58/87/654825887.db2.gz AEXUQWYLBAMHFI-UHFFFAOYSA-N 0 0 394.262 2.699 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000129417513 654863285 /nfs/dbraw/zinc/86/32/85/654863285.db2.gz DJIRBVCLDVYWCE-QSYFUGGGSA-N 0 0 382.873 2.503 10 0 GFAERN CCc1nn(C)c(Cl)c1C(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000129491607 654864608 /nfs/dbraw/zinc/86/46/08/654864608.db2.gz TXLIEZOCBINBIJ-UHFFFAOYSA-N 0 0 381.933 2.749 10 0 GFAERN CSC[C@@H](C)NC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000131720629 654915074 /nfs/dbraw/zinc/91/50/74/654915074.db2.gz RTIJPTBCNPQBJZ-HTQZYQBOSA-N 0 0 375.277 2.846 10 0 GFAERN CCn1ccnc1CN1C(=O)N[C@](C)(c2ccc(F)cc2Br)C1=O ZINC000067784904 654945472 /nfs/dbraw/zinc/94/54/72/654945472.db2.gz BZDWHDPQTQVBOH-MRXNPFEDSA-N 0 0 395.232 2.772 10 0 GFAERN Cc1ccc([C@@H](CNC(=O)CSCc2cscn2)N2CCOCC2)s1 ZINC000133291084 654959474 /nfs/dbraw/zinc/95/94/74/654959474.db2.gz HINQDXKTKBSQFU-OAHLLOKOSA-N 0 0 397.591 2.936 10 0 GFAERN CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000071017296 654998531 /nfs/dbraw/zinc/99/85/31/654998531.db2.gz SMUBHKFYXICVCM-SNVBAGLBSA-N 0 0 379.869 2.967 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(Br)ccc1F ZINC000134989257 655006983 /nfs/dbraw/zinc/00/69/83/655006983.db2.gz OZKDMAHNRBUYSA-LLVKDONJSA-N 0 0 398.236 2.983 10 0 GFAERN O=C(Cc1ccccc1Br)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135266895 655012847 /nfs/dbraw/zinc/01/28/47/655012847.db2.gz SCUWRGDYNAFJEC-AWEZNQCLSA-N 0 0 375.270 2.567 10 0 GFAERN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000093886940 655021632 /nfs/dbraw/zinc/02/16/32/655021632.db2.gz VIAAHODVBWGIGB-KGLIPLIRSA-N 0 0 376.400 2.643 10 0 GFAERN CCS(=O)(=O)CCNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000094033468 655026234 /nfs/dbraw/zinc/02/62/34/655026234.db2.gz SHUKDSZOCRESCU-CQSZACIVSA-N 0 0 378.416 2.890 10 0 GFAERN O=C(Cc1cc(F)ccc1Br)N1CCCN(c2cccnn2)CC1 ZINC000137617427 655041195 /nfs/dbraw/zinc/04/11/95/655041195.db2.gz BCNGTXQGFJTGSA-UHFFFAOYSA-N 0 0 393.260 2.660 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Br)nc1)c1ccc(F)c(F)c1 ZINC000151089989 655047937 /nfs/dbraw/zinc/04/79/37/655047937.db2.gz UWOWHKKCJNUOCK-MRVPVSSYSA-N 0 0 384.180 2.938 10 0 GFAERN O=C(OCc1ccnc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000101964316 655049410 /nfs/dbraw/zinc/04/94/10/655049410.db2.gz KMFDQIDXTYXSSK-HNNXBMFYSA-N 0 0 380.853 2.632 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)c1ccc(Cl)s1 ZINC000102962894 655064901 /nfs/dbraw/zinc/06/49/01/655064901.db2.gz FKSDWFIVFZPFBU-MRVPVSSYSA-N 0 0 379.825 2.662 10 0 GFAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1ccc(Cl)cc1Cl ZINC000106070987 655101656 /nfs/dbraw/zinc/10/16/56/655101656.db2.gz IDICLVXIZQIQOV-UHFFFAOYSA-N 0 0 380.279 2.934 10 0 GFAERN Cc1csc([C@H]2CCCN(Cn3nnn(C4CCOCC4)c3=S)C2)n1 ZINC000106062780 655101759 /nfs/dbraw/zinc/10/17/59/655101759.db2.gz PWDPICAUWFPDCB-ZDUSSCGKSA-N 0 0 380.543 2.763 10 0 GFAERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3Cl)CCO2)c1 ZINC000106198481 655104928 /nfs/dbraw/zinc/10/49/28/655104928.db2.gz YTFFEUPXKMKYIR-AWEZNQCLSA-N 0 0 383.279 2.838 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000106396627 655107787 /nfs/dbraw/zinc/10/77/87/655107787.db2.gz KOPZHPOOJTVWBV-KRWDZBQOSA-N 0 0 395.341 2.786 10 0 GFAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c[nH]c1=O ZINC000170725807 655145438 /nfs/dbraw/zinc/14/54/38/655145438.db2.gz VQKRWXWCFCCBJZ-JTQLQIEISA-N 0 0 388.262 2.769 10 0 GFAERN CCOc1nn(CN2CCN(c3nc4ccccc4o3)CC2)c(=S)s1 ZINC000172497322 655158388 /nfs/dbraw/zinc/15/83/88/655158388.db2.gz LEKUAPJXFMBKCY-UHFFFAOYSA-N 0 0 377.495 2.994 10 0 GFAERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111077635 655163951 /nfs/dbraw/zinc/16/39/51/655163951.db2.gz NNFSCDLUSLXMSZ-QWHCGFSZSA-N 0 0 384.263 2.885 10 0 GFAERN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000111343389 655169211 /nfs/dbraw/zinc/16/92/11/655169211.db2.gz ZWCGUAWILREFDO-LBPRGKRZSA-N 0 0 378.397 2.924 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccc(C)c(Cl)c3)CCO2)n1 ZINC000111345213 655169359 /nfs/dbraw/zinc/16/93/59/655169359.db2.gz WMHBYLJQGSKDDJ-HNNXBMFYSA-N 0 0 383.901 2.551 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)C[C@H]1N1CCOCC1 ZINC000173401902 655169990 /nfs/dbraw/zinc/16/99/90/655169990.db2.gz VQDLXHMOGNEBLA-IAQYHMDHSA-N 0 0 387.705 2.895 10 0 GFAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccccc2Br)ncn1 ZINC000173438118 655172399 /nfs/dbraw/zinc/17/23/99/655172399.db2.gz HIZFYVDLRYQAHN-LBPRGKRZSA-N 0 0 390.285 2.680 10 0 GFAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Cl)CCO2)c1 ZINC000112093618 655182029 /nfs/dbraw/zinc/18/20/29/655182029.db2.gz MLUUFRZKNHFVHU-GFCCVEGCSA-N 0 0 390.292 2.588 10 0 GFAERN CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173901175 655184361 /nfs/dbraw/zinc/18/43/61/655184361.db2.gz VZJZSLYSMBOXNA-CQSZACIVSA-N 0 0 398.301 2.786 10 0 GFAERN O=C(Nc1c(F)cc(Br)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000173905863 655184687 /nfs/dbraw/zinc/18/46/87/655184687.db2.gz LEKMNAKLTMVFED-NSHDSACASA-N 0 0 390.228 2.666 10 0 GFAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000112654600 655194485 /nfs/dbraw/zinc/19/44/85/655194485.db2.gz MIPBMZKEPWEAMH-JTQLQIEISA-N 0 0 377.235 2.515 10 0 GFAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000113373540 655208919 /nfs/dbraw/zinc/20/89/19/655208919.db2.gz PBQWTBHKQXKWKB-VXGBXAGGSA-N 0 0 391.331 2.975 10 0 GFAERN Cc1c(C(=O)O[C@@H](C)[C@H]2CCOC2)nnn1-c1cccc(Br)c1 ZINC000175251004 655216532 /nfs/dbraw/zinc/21/65/32/655216532.db2.gz AFPOWGDKLBRWNU-RYUDHWBXSA-N 0 0 380.242 2.920 10 0 GFAERN C[C@H](OC(=O)COc1ccc(I)cc1)[C@H]1CCOC1 ZINC000175262933 655216720 /nfs/dbraw/zinc/21/67/20/655216720.db2.gz DBSNUBJWUYXJSN-QWRGUYRKSA-N 0 0 376.190 2.638 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)NCCc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000175293788 655218454 /nfs/dbraw/zinc/21/84/54/655218454.db2.gz ASEUNTMSRLHOLA-AWEZNQCLSA-N 0 0 384.267 2.746 10 0 GFAERN COC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000114456346 655224551 /nfs/dbraw/zinc/22/45/51/655224551.db2.gz MGXBFWKEYAEDIT-SECBINFHSA-N 0 0 386.271 2.946 10 0 GFAERN COc1ccc(-c2nc(C[S@](=O)Cc3nnnn3C(C)C)cs2)cc1 ZINC000176498768 655247914 /nfs/dbraw/zinc/24/79/14/655247914.db2.gz XJZFTOGOJWJJKV-VWLOTQADSA-N 0 0 377.495 2.835 10 0 GFAERN Cc1oc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1S(=O)(=O)N(C)C ZINC000176527481 655249588 /nfs/dbraw/zinc/24/95/88/655249588.db2.gz PJUVJNZASOCLOC-MNOVXSKESA-N 0 0 382.404 2.689 10 0 GFAERN Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1Cl ZINC000116587057 655249800 /nfs/dbraw/zinc/24/98/00/655249800.db2.gz OLPNZXCLGTYDLV-NSHDSACASA-N 0 0 381.263 2.990 10 0 GFAERN CSc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000116899979 655256251 /nfs/dbraw/zinc/25/62/51/655256251.db2.gz PTOFRBDZDIZBLB-OAHLLOKOSA-N 0 0 380.539 2.718 10 0 GFAERN COCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C[C@@H]1C ZINC000117284235 655263300 /nfs/dbraw/zinc/26/33/00/655263300.db2.gz RMVHIJVVGFSJEZ-IAOVAPTHSA-N 0 0 381.314 2.732 10 0 GFAERN O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC[C@@H]1Cn1ccnc1 ZINC000177405869 655275720 /nfs/dbraw/zinc/27/57/20/655275720.db2.gz XFXKNVHKMJVBIE-CYBMUJFWSA-N 0 0 383.283 2.871 10 0 GFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccc(Br)cc1F ZINC000118672231 655280522 /nfs/dbraw/zinc/28/05/22/655280522.db2.gz WTONYFPKVFETIU-LBPRGKRZSA-N 0 0 379.233 2.777 10 0 GFAERN O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177546057 655280541 /nfs/dbraw/zinc/28/05/41/655280541.db2.gz AHJIAXDDHYJUHU-SKDRFNHKSA-N 0 0 378.778 2.965 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(Br)ccc1F ZINC000118674571 655280769 /nfs/dbraw/zinc/28/07/69/655280769.db2.gz ZMKBXGQBKZSAPF-GFCCVEGCSA-N 0 0 379.233 2.777 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C[C@@H](C)O1 ZINC000177598840 655283114 /nfs/dbraw/zinc/28/31/14/655283114.db2.gz JRGZZEURURLDJH-VXGBXAGGSA-N 0 0 388.917 2.666 10 0 GFAERN O=C(NCc1nc(C2CC2)cs1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000177903477 655290560 /nfs/dbraw/zinc/29/05/60/655290560.db2.gz ZUGPPCRIRRCZFE-ZDUSSCGKSA-N 0 0 377.491 2.738 10 0 GFAERN C[C@@H](NC(=O)c1nc(Br)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000119159404 655291562 /nfs/dbraw/zinc/29/15/62/655291562.db2.gz WMSWDCQSYIZJQJ-MRVPVSSYSA-N 0 0 389.296 2.800 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cc(F)ccc1Br ZINC000119568822 655307362 /nfs/dbraw/zinc/30/73/62/655307362.db2.gz JOHJRDFPUMJYNZ-ZDUSSCGKSA-N 0 0 397.248 2.520 10 0 GFAERN CNC(=O)[C@H](NC(=O)c1cc(Br)sc1Br)C(C)C ZINC000178675170 655307996 /nfs/dbraw/zinc/30/79/96/655307996.db2.gz UCBKMMYJAIXAKW-MRVPVSSYSA-N 0 0 398.120 2.774 10 0 GFAERN COc1ccc([C@H](C)OC(=O)c2ccc(C(N)=O)cn2)c(Br)c1 ZINC000179956061 655320050 /nfs/dbraw/zinc/32/00/50/655320050.db2.gz AVIRTJJGKXQAPG-VIFPVBQESA-N 0 0 379.210 2.870 10 0 GFAERN COc1ccc([C@H](C)C(=O)OCCn2cc(Br)ccc2=O)cc1 ZINC000181365123 655336174 /nfs/dbraw/zinc/33/61/74/655336174.db2.gz JRMHEWMCARGKJH-LBPRGKRZSA-N 0 0 380.238 2.966 10 0 GFAERN O=C(Oc1ccc(F)cc1Br)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000120770640 655343585 /nfs/dbraw/zinc/34/35/85/655343585.db2.gz WLHJPVPTNCJYNH-ZETCQYMHSA-N 0 0 384.123 2.904 10 0 GFAERN COc1cc(Br)cc(S(=O)(=O)N[C@@H]2COc3ccccc32)c1 ZINC000185739844 655366098 /nfs/dbraw/zinc/36/60/98/655366098.db2.gz JKGGARQQIVIVPJ-CQSZACIVSA-N 0 0 384.251 2.870 10 0 GFAERN C[C@H](CCS(C)(=O)=O)OC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000185742872 655366155 /nfs/dbraw/zinc/36/61/55/655366155.db2.gz NRRVDXWCSYIEFR-HONMWMINSA-N 0 0 375.284 2.919 10 0 GFAERN C=C[C@@H](C)OC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000187625599 655375738 /nfs/dbraw/zinc/37/57/38/655375738.db2.gz WTUSUKQDLCLKEG-CZUORRHYSA-N 0 0 377.487 2.981 10 0 GFAERN CCn1cc([C@H]2CN(Cn3nc(C(F)(F)F)sc3=S)CCO2)cn1 ZINC000189843081 655388775 /nfs/dbraw/zinc/38/87/75/655388775.db2.gz BVIXZNZMAOMCGC-SNVBAGLBSA-N 0 0 379.433 2.940 10 0 GFAERN COCCn1c(C(=O)NCCCn2cccn2)cc2oc(Br)cc21 ZINC000223706997 655422499 /nfs/dbraw/zinc/42/24/99/655422499.db2.gz CVJXMGOVHNYZPG-UHFFFAOYSA-N 0 0 395.257 2.660 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000255073293 655436864 /nfs/dbraw/zinc/43/68/64/655436864.db2.gz IIYIYEOBYOIFAT-LEJCZOIISA-N 0 0 397.298 2.774 10 0 GFAERN O=C([O-])[C@@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)C[C@H]1C(F)(F)F ZINC000262930488 655447848 /nfs/dbraw/zinc/44/78/48/655447848.db2.gz HVDGGFOASPRQIL-VXGBXAGGSA-N 0 0 378.778 2.541 10 0 GFAERN Cc1cnc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1 ZINC000702855797 655521914 /nfs/dbraw/zinc/52/19/14/655521914.db2.gz CTGNPUDDVSNXGM-YPMHNXCESA-N 0 0 386.290 2.792 10 0 GFAERN COC(=O)c1cc(Br)c(N2CCO[C@@H](c3nccs3)C2)nc1C ZINC000892245167 663366952 /nfs/dbraw/zinc/36/69/52/663366952.db2.gz QIKNVPYCRLEDNJ-GFCCVEGCSA-N 0 0 398.282 2.974 10 0 GFAERN NS(=O)(=O)c1ccc(SCC(=O)N2CCCC[C@@H]2c2ccco2)cc1 ZINC000900735706 663720554 /nfs/dbraw/zinc/72/05/54/663720554.db2.gz SZEFLIUULKXORN-OAHLLOKOSA-N 0 0 380.491 2.773 10 0 GFAERN CN1CCN(C(=O)c2ccnc(Cl)c2Cl)C[C@@H]1c1nc(C2CC2)no1 ZINC000908096423 664082690 /nfs/dbraw/zinc/08/26/90/664082690.db2.gz NUEOJNWYKIQVGT-LLVKDONJSA-N 0 0 382.251 2.778 10 0 GFAERN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC[C@@H]1C(F)(F)F ZINC000913020979 664317003 /nfs/dbraw/zinc/31/70/03/664317003.db2.gz FTXSJGGNZYXGAX-CQSZACIVSA-N 0 0 376.400 2.603 10 0 GFAERN CN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1cccc2cccnc21 ZINC000005067255 529837827 /nfs/dbraw/zinc/83/78/27/529837827.db2.gz JQTHZNHLBKUMAX-UHFFFAOYSA-N 0 0 391.399 2.772 10 0 GFAERN C[C@@H]1Cc2cc(-c3csc(NC(=O)C4CC4)n3)ccc2N1S(C)(=O)=O ZINC000001365882 212144037 /nfs/dbraw/zinc/14/40/37/212144037.db2.gz PAOFRJWNUFASEF-SNVBAGLBSA-N 0 0 377.491 2.869 10 0 GFAERN O=c1oc2cccnc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000604423 212142992 /nfs/dbraw/zinc/14/29/92/212142992.db2.gz YQARSAGBQNDCCY-UHFFFAOYSA-N 0 0 392.381 2.831 10 0 GFAERN COC1(c2nc(-c3ccccn3)no2)CCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000225838987 212114946 /nfs/dbraw/zinc/11/49/46/212114946.db2.gz FMCDEYYPEYXPPL-UHFFFAOYSA-N 0 0 394.431 2.544 10 0 GFAERN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O ZINC000003462541 220647930 /nfs/dbraw/zinc/64/79/30/220647930.db2.gz GRZHILVFICPETC-SFHVURJKSA-N 0 0 375.787 2.885 10 0 GFAERN CC1(C)CS(=O)(=O)N(c2cc(C(=O)Nc3nccs3)ccc2Cl)C1=O ZINC000012004739 221142580 /nfs/dbraw/zinc/14/25/80/221142580.db2.gz SYJQPCVSSXNOON-UHFFFAOYSA-N 0 0 399.881 2.751 10 0 GFAERN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3cccs3)c(Cl)c2)C1=O ZINC000012025601 221142986 /nfs/dbraw/zinc/14/29/86/221142986.db2.gz VDVGJENNXOSEKN-JTQLQIEISA-N 0 0 398.893 2.644 10 0 GFAERN O=C1CCCC(=O)N1c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000012202319 221166889 /nfs/dbraw/zinc/16/68/89/221166889.db2.gz MEPWWNFLWFUPCS-UHFFFAOYSA-N 0 0 384.457 2.872 10 0 GFAERN CC[C@H]1CCCCN1S(=O)(=O)c1cc(N2C(=O)CCCC2=O)ccc1OC ZINC000012203440 221167597 /nfs/dbraw/zinc/16/75/97/221167597.db2.gz HKUQPFCLILIHNP-AWEZNQCLSA-N 0 0 394.493 2.692 10 0 GFAERN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000012386428 221187699 /nfs/dbraw/zinc/18/76/99/221187699.db2.gz DMICTKVCPIRNSO-HNNXBMFYSA-N 0 0 386.452 2.546 10 0 GFAERN COc1cc(CC[C@@H](O)C[C@@H](O)CCc2ccc(O)c(OC)c2)ccc1O ZINC000013377893 221268241 /nfs/dbraw/zinc/26/82/41/221268241.db2.gz OELMAFBLFOKZJD-CALCHBBNSA-N 0 0 376.449 2.792 10 0 GFAERN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2F)CN1Cc1ccc(F)cc1F ZINC000014976274 221323385 /nfs/dbraw/zinc/32/33/85/221323385.db2.gz KQQOZASLCAVUPA-KSSFIOAISA-N 0 0 392.377 2.650 10 0 GFAERN Cc1cc(=O)oc2cc(NC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc12 ZINC000015634990 221337800 /nfs/dbraw/zinc/33/78/00/221337800.db2.gz BLMTUDYNTGOGPS-RCBQFDQVSA-N 0 0 382.416 2.604 10 0 GFAERN COc1cccc(NC(=O)c2nc3nc(C)cc(C)c3c(N3CCOCC3)n2)c1 ZINC000065232046 136160590 /nfs/dbraw/zinc/16/05/90/136160590.db2.gz NBIARFJBMWUFBT-UHFFFAOYSA-N 0 0 393.447 2.739 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399013582 563533557 /nfs/dbraw/zinc/53/35/57/563533557.db2.gz SNNWVYNDKBDDFH-HBNTYKKESA-N 0 0 380.329 2.601 10 0 GFAERN O=C(Nc1nncs1)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000027792829 221661515 /nfs/dbraw/zinc/66/15/15/221661515.db2.gz UZUTYLYFRQXKBG-HNNXBMFYSA-N 0 0 382.401 2.569 10 0 GFAERN O=Cc1cn([C@@H]2CCS(=O)(=O)C2)nc1-c1ccc(Br)s1 ZINC000038002038 221876053 /nfs/dbraw/zinc/87/60/53/221876053.db2.gz FCRYJZCGBVGBNZ-SECBINFHSA-N 0 0 375.269 2.546 10 0 GFAERN COCCN1C(=O)Cc2ccccc2[C@H]1C(=O)NCc1ccc(SC)cc1 ZINC000065170410 222104731 /nfs/dbraw/zinc/10/47/31/222104731.db2.gz UHGAOMOUZZLLET-FQEVSTJZSA-N 0 0 384.501 2.797 10 0 GFAERN O=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccccn3)C2)cc1 ZINC000065179433 222107850 /nfs/dbraw/zinc/10/78/50/222107850.db2.gz OKHWWSJYOFXILG-MRXNPFEDSA-N 0 0 379.460 2.905 10 0 GFAERN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc2ccccc2[nH]1 ZINC000058902533 222055364 /nfs/dbraw/zinc/05/53/64/222055364.db2.gz ISVVPOBBTIXSRA-FQEVSTJZSA-N 0 0 397.500 2.561 10 0 GFAERN O=C1N(Cc2ccccc2)CCN1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000064950777 222089612 /nfs/dbraw/zinc/08/96/12/222089612.db2.gz NLVAFJZYGRDVKM-UHFFFAOYSA-N 0 0 399.516 2.778 10 0 GFAERN CC(C)(C)OC(=O)NC(C)(C)c1noc(Cn2c(=O)sc3c2CCCC3)n1 ZINC000068051708 222171056 /nfs/dbraw/zinc/17/10/56/222171056.db2.gz HNDDSKPTAKKEPU-UHFFFAOYSA-N 0 0 394.497 2.980 10 0 GFAERN CC(C)c1noc(CN2CCC([C@H]3CCCCCN3S(C)(=O)=O)CC2)n1 ZINC000069738459 222175528 /nfs/dbraw/zinc/17/55/28/222175528.db2.gz BAECGXNAIANUDP-MRXNPFEDSA-N 0 0 384.546 2.609 10 0 GFAERN Cc1cnc(S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1Cl ZINC000095089648 222330959 /nfs/dbraw/zinc/33/09/59/222330959.db2.gz FEARQXSCLSSIFX-LLVKDONJSA-N 0 0 375.878 2.612 10 0 GFAERN CN1CCO[C@H](C(=O)Nc2cc(-c3cccc4[nH]ccc43)cc3n[nH]cc32)C1 ZINC000095564464 222356176 /nfs/dbraw/zinc/35/61/76/222356176.db2.gz RGMGHVMUSBVCJW-FQEVSTJZSA-N 0 0 375.432 2.980 10 0 GFAERN CC(=O)c1cc(I)nc(CCNC(=O)OC(C)(C)C)c1 ZINC000095767628 222358979 /nfs/dbraw/zinc/35/89/79/222358979.db2.gz HAIFTRFBFBUZGP-UHFFFAOYSA-N 0 0 390.221 2.956 10 0 GFAERN C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000056941622 551178780 /nfs/dbraw/zinc/17/87/80/551178780.db2.gz XZKASBHWQZWDBE-JTQLQIEISA-N 0 0 385.848 2.687 10 0 GFAERN CCc1cc(C(=O)N[C@@H](CC(=O)OC)c2cccc(Br)c2)[nH]n1 ZINC000097057428 551196120 /nfs/dbraw/zinc/19/61/20/551196120.db2.gz CEESUTPWPJWTPR-ZDUSSCGKSA-N 0 0 380.242 2.769 10 0 GFAERN COC[C@H](C)NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000110284563 551203592 /nfs/dbraw/zinc/20/35/92/551203592.db2.gz ZRUXSZKHKCPGPD-VIFPVBQESA-N 0 0 391.312 2.886 10 0 GFAERN O=C(CCSc1ccccc1Br)N[C@H]1CCc2ncnn2C1 ZINC000112650871 551206870 /nfs/dbraw/zinc/20/68/70/551206870.db2.gz KBTQLPUOFOOCCJ-NSHDSACASA-N 0 0 381.299 2.654 10 0 GFAERN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116352112 551212738 /nfs/dbraw/zinc/21/27/38/551212738.db2.gz ZJNTXJSUVIZUMW-CYBMUJFWSA-N 0 0 389.882 2.862 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)NCCc3ccc(Br)s3)C2)cn1 ZINC000116415449 551213368 /nfs/dbraw/zinc/21/33/68/551213368.db2.gz GUZPAGRPQLJXHE-NSHDSACASA-N 0 0 383.315 2.986 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000121704756 551240238 /nfs/dbraw/zinc/24/02/38/551240238.db2.gz HKEHHTPWOTYNBT-LLVKDONJSA-N 0 0 382.251 2.737 10 0 GFAERN C[C@H](NC(=O)NCC1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000121780494 551242367 /nfs/dbraw/zinc/24/23/67/551242367.db2.gz MLZUSMFTUDMXDA-NSHDSACASA-N 0 0 389.315 2.634 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3cncc(Br)c3)CCO2)n1 ZINC000126303413 551328211 /nfs/dbraw/zinc/32/82/11/551328211.db2.gz VAFLPCNPLYKLIU-HNNXBMFYSA-N 0 0 394.273 2.590 10 0 GFAERN CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000127450818 551341197 /nfs/dbraw/zinc/34/11/97/551341197.db2.gz LIMVAJFBZRYARO-RZFZLAGVSA-N 0 0 379.503 2.709 10 0 GFAERN CC(C)(C)n1cc(CN2CCN(C(=O)CSCC(F)(F)F)CC2)cn1 ZINC000127491961 551341596 /nfs/dbraw/zinc/34/15/96/551341596.db2.gz HZLJPWRKMYJHLH-UHFFFAOYSA-N 0 0 378.464 2.578 10 0 GFAERN CC[C@@H](CO)N1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000131246815 551373490 /nfs/dbraw/zinc/37/34/90/551373490.db2.gz TZRHQURAOXVWTK-OCCSQVGLSA-N 0 0 375.296 2.676 10 0 GFAERN Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000133437193 551383035 /nfs/dbraw/zinc/38/30/35/551383035.db2.gz JKSUDUHQGCCYAG-HNNXBMFYSA-N 0 0 397.294 2.995 10 0 GFAERN CCOCCN1CCN(C(=O)Cc2cc(Br)ccc2F)C[C@H]1C ZINC000151156818 551408044 /nfs/dbraw/zinc/40/80/44/551408044.db2.gz IYXXTOSSBHOZFD-CYBMUJFWSA-N 0 0 387.293 2.700 10 0 GFAERN O=C(Cc1ccc(Br)c(F)c1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000152118203 551426284 /nfs/dbraw/zinc/42/62/84/551426284.db2.gz KETXZBDLTAUUSA-ZDUSSCGKSA-N 0 0 393.260 2.706 10 0 GFAERN O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@@H]1CCCC[C@@H]1O ZINC000152201940 551428502 /nfs/dbraw/zinc/42/85/02/551428502.db2.gz XJEWOEFKUVLAOH-GTQRCTGISA-N 0 0 388.327 2.757 10 0 GFAERN CCOc1c(Br)cc(CN2CCC[C@@H](NC(C)=O)C2)cc1OC ZINC000153832603 551461456 /nfs/dbraw/zinc/46/14/56/551461456.db2.gz QIIVKUCHHJGVPI-CQSZACIVSA-N 0 0 385.302 2.957 10 0 GFAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000154649381 551479993 /nfs/dbraw/zinc/47/99/93/551479993.db2.gz NBNYPABLCVWIKK-HOTGVXAUSA-N 0 0 376.254 2.524 10 0 GFAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C[C@H](C)O1 ZINC000154638833 551480022 /nfs/dbraw/zinc/48/00/22/551480022.db2.gz XPCBBSHTQYMTJI-IUCAKERBSA-N 0 0 375.650 2.677 10 0 GFAERN CCOc1cc(Br)ccc1NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000154977906 551487828 /nfs/dbraw/zinc/48/78/28/551487828.db2.gz JEFRYKWTCDIZRS-GFCCVEGCSA-N 0 0 386.290 2.690 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(F)ccc1Br ZINC000155178805 551493488 /nfs/dbraw/zinc/49/34/88/551493488.db2.gz AKYVOCLDHLRZRU-LBPRGKRZSA-N 0 0 383.221 2.591 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(F)c(Br)c1 ZINC000155194806 551494179 /nfs/dbraw/zinc/49/41/79/551494179.db2.gz DTUATLIMSLYGHD-CYBMUJFWSA-N 0 0 397.248 2.520 10 0 GFAERN CCOC(=O)Cc1nnc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000155534562 551502119 /nfs/dbraw/zinc/50/21/19/551502119.db2.gz DLSMTPZXBMHUIM-RKDXNWHRSA-N 0 0 380.392 2.886 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000155618887 551503928 /nfs/dbraw/zinc/50/39/28/551503928.db2.gz GKMZYXGOWRHOAI-BONVTDFDSA-N 0 0 379.254 2.572 10 0 GFAERN C[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@@H]1N1CCOCC1 ZINC000156536015 551524556 /nfs/dbraw/zinc/52/45/56/551524556.db2.gz NCDNHSKTJOCRKU-WBMJQRKESA-N 0 0 392.297 2.723 10 0 GFAERN O=S(=O)(c1c(F)cccc1F)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158536987 551553244 /nfs/dbraw/zinc/55/32/44/551553244.db2.gz AXSSUWGRVQSRGR-ZUZCIYMTSA-N 0 0 375.343 2.740 10 0 GFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(Br)cc1)CC2 ZINC000159323706 551563432 /nfs/dbraw/zinc/56/34/32/551563432.db2.gz LVKTVUKUSKVLFJ-AWEZNQCLSA-N 0 0 392.301 2.978 10 0 GFAERN COc1c(CN(C)CC(=O)Nc2ccc(Br)cc2C)c(C)nn1C ZINC000161949061 551601395 /nfs/dbraw/zinc/60/13/95/551601395.db2.gz TWAWEDCPVVTMHL-UHFFFAOYSA-N 0 0 395.301 2.879 10 0 GFAERN C[C@H]1CN(C(=O)CSc2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000164092093 551624196 /nfs/dbraw/zinc/62/41/96/551624196.db2.gz DXCNRQRIQQHVDU-XJKSGUPXSA-N 0 0 399.354 2.720 10 0 GFAERN O=C(N1CCC[C@@H](n2cncn2)C1)C1(c2cccc(Br)c2)CC1 ZINC000170898143 551642836 /nfs/dbraw/zinc/64/28/36/551642836.db2.gz NMSGULPOPUSHIQ-OAHLLOKOSA-N 0 0 375.270 2.936 10 0 GFAERN O=C(N1CCC[C@H](n2cncn2)C1)C1(c2cccc(Br)c2)CC1 ZINC000170898139 551642877 /nfs/dbraw/zinc/64/28/77/551642877.db2.gz NMSGULPOPUSHIQ-HNNXBMFYSA-N 0 0 375.270 2.936 10 0 GFAERN O[C@@H](COc1cccc(Br)c1)CN1CCO[C@H](c2nccs2)C1 ZINC000171662626 551660446 /nfs/dbraw/zinc/66/04/46/551660446.db2.gz NYGAQPARPNXXJT-HIFRSBDPSA-N 0 0 399.310 2.719 10 0 GFAERN C[C@@H](NC(=O)CN1CCC[C@H](n2cncn2)C1)c1ccc(Br)cc1 ZINC000171703818 551661700 /nfs/dbraw/zinc/66/17/00/551661700.db2.gz KVMLQVOBQDKNAE-CJNGLKHVSA-N 0 0 392.301 2.555 10 0 GFAERN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](n2cncn2)C1 ZINC000172076720 551670176 /nfs/dbraw/zinc/67/01/76/551670176.db2.gz HUONECYLJCXCMD-LBPRGKRZSA-N 0 0 375.281 2.752 10 0 GFAERN CCOc1ccnc(N2CCN(C(=O)NCc3ccc(Cl)s3)CC2)n1 ZINC000172248860 551674393 /nfs/dbraw/zinc/67/43/93/551674393.db2.gz RUEWSHKPXPUBFB-UHFFFAOYSA-N 0 0 381.889 2.622 10 0 GFAERN O=C(c1cc2cc(Br)ccc2o1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172750494 551686172 /nfs/dbraw/zinc/68/61/72/551686172.db2.gz LGPVOAVHPIODIS-CQSZACIVSA-N 0 0 379.254 2.742 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)c3cc4cc(Br)ccc4[nH]3)CCO2)[nH]1 ZINC000173085769 551695516 /nfs/dbraw/zinc/69/55/16/551695516.db2.gz MKRNCNFAMNVJIE-AWEZNQCLSA-N 0 0 390.241 2.571 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3[nH]c4ccccc4c3Br)CCO2)[nH]1 ZINC000173085870 551695527 /nfs/dbraw/zinc/69/55/27/551695527.db2.gz AUHOIZDYCWRLRU-GFCCVEGCSA-N 0 0 390.241 2.571 10 0 GFAERN C[C@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@H]1N1CCOCC1 ZINC000173846068 552094222 /nfs/dbraw/zinc/09/42/22/552094222.db2.gz CQQUCINKYVTPCV-SWLSCSKDSA-N 0 0 387.343 2.622 10 0 GFAERN Cc1nc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)ccc1Br ZINC000174094699 552098502 /nfs/dbraw/zinc/09/85/02/552098502.db2.gz ZHHWMJZABJJHSA-SNVBAGLBSA-N 0 0 388.221 2.776 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCc2c(Br)cccc2C1 ZINC000175859718 552130471 /nfs/dbraw/zinc/13/04/71/552130471.db2.gz ZAXADYWJZPAZAB-HNNXBMFYSA-N 0 0 390.285 2.952 10 0 GFAERN O=C(CCc1ccc(Br)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000176442037 552140517 /nfs/dbraw/zinc/14/05/17/552140517.db2.gz CTDUWSWTLSUUEY-HNNXBMFYSA-N 0 0 377.286 2.912 10 0 GFAERN CCc1nc(CC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)cs1 ZINC000176540853 552140864 /nfs/dbraw/zinc/14/08/64/552140864.db2.gz WLTPVHCTKHHCKG-OAHLLOKOSA-N 0 0 379.551 2.841 10 0 GFAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCS[C@H](C)C1 ZINC000177004376 552149418 /nfs/dbraw/zinc/14/94/18/552149418.db2.gz KULQTRGYQWRREL-SNVBAGLBSA-N 0 0 387.299 2.669 10 0 GFAERN Cc1nc(CCNC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C ZINC000177736343 552158213 /nfs/dbraw/zinc/15/82/13/552158213.db2.gz HSACKGUKLBEYDA-LBPRGKRZSA-N 0 0 381.523 2.766 10 0 GFAERN COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177793782 552158742 /nfs/dbraw/zinc/15/87/42/552158742.db2.gz MCOQZFWVFIVCRK-OAHLLOKOSA-N 0 0 378.270 2.888 10 0 GFAERN COC(=O)N[C@@H](C(=O)Nc1ccc(F)cc1I)C(C)C ZINC000177818745 552159424 /nfs/dbraw/zinc/15/94/24/552159424.db2.gz JBZNILWQJJQUJE-LLVKDONJSA-N 0 0 394.184 2.749 10 0 GFAERN Cc1nn(C)c(Cl)c1C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000177977192 552161933 /nfs/dbraw/zinc/16/19/33/552161933.db2.gz LASFZDQYICORDB-DGCLKSJQSA-N 0 0 382.917 2.635 10 0 GFAERN Cn1cc(NC(=O)N[C@@H]2CCOc3ccccc32)cc(Br)c1=O ZINC000178289008 552168364 /nfs/dbraw/zinc/16/83/64/552168364.db2.gz IJJLJEGYXXKUPI-CYBMUJFWSA-N 0 0 378.226 2.793 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1ccc(Br)c(F)c1)CC2 ZINC000179299182 552189715 /nfs/dbraw/zinc/18/97/15/552189715.db2.gz LZVDWGMLUWXLCQ-LBPRGKRZSA-N 0 0 395.276 2.977 10 0 GFAERN COCCCN(C(=O)N[C@@H](C)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000179570723 552196611 /nfs/dbraw/zinc/19/66/11/552196611.db2.gz ZOHUJVKAICOTKF-RYUDHWBXSA-N 0 0 394.946 2.698 10 0 GFAERN O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000179644867 552198773 /nfs/dbraw/zinc/19/87/73/552198773.db2.gz BLNOSZCEHQIAMI-HOTGVXAUSA-N 0 0 379.865 2.798 10 0 GFAERN CCc1nn(C)cc1C(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000179991147 552209196 /nfs/dbraw/zinc/20/91/96/552209196.db2.gz BXINCBSLDRSDPE-HNNXBMFYSA-N 0 0 394.269 2.779 10 0 GFAERN CC[C@@H](O)C[NH+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000180164146 552215402 /nfs/dbraw/zinc/21/54/02/552215402.db2.gz JHZIDUJBNUYVIX-CYBMUJFWSA-N 0 0 393.272 2.939 10 0 GFAERN CNC(=O)c1cc(Br)ccc1NC(=O)C1CCC(C(=O)OC)CC1 ZINC000180256212 552219178 /nfs/dbraw/zinc/21/91/78/552219178.db2.gz AXNWSRGGRYEUTL-UHFFFAOYSA-N 0 0 397.269 2.727 10 0 GFAERN CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2cccs2)cc1F ZINC000180340452 552222985 /nfs/dbraw/zinc/22/29/85/552222985.db2.gz OPBLJQVZBDWRJN-SNVBAGLBSA-N 0 0 392.499 2.688 10 0 GFAERN COC(=O)C1CCN(C(=O)[C@@H](C)N[C@@H](C)c2ccccc2Br)CC1 ZINC000181566900 552261325 /nfs/dbraw/zinc/26/13/25/552261325.db2.gz SQRATSFXSZPQRK-QWHCGFSZSA-N 0 0 397.313 2.900 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000181690028 552265246 /nfs/dbraw/zinc/26/52/46/552265246.db2.gz UIMAHOZKAVQPHP-CYBMUJFWSA-N 0 0 378.466 2.829 10 0 GFAERN C[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000183436439 552309326 /nfs/dbraw/zinc/30/93/26/552309326.db2.gz JMIMLHJIJBVVED-QWRGUYRKSA-N 0 0 394.324 2.730 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000184713128 552342887 /nfs/dbraw/zinc/34/28/87/552342887.db2.gz LVMHHQIQNPXFJJ-KBPBESRZSA-N 0 0 384.318 2.608 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1F)N1CCC(c2cc[nH]n2)CC1 ZINC000184806061 552344836 /nfs/dbraw/zinc/34/48/36/552344836.db2.gz DFINRNIIJSSAEG-UHFFFAOYSA-N 0 0 388.262 2.880 10 0 GFAERN O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCCC[C@H]1c1nccs1 ZINC000185020452 552351205 /nfs/dbraw/zinc/35/12/05/552351205.db2.gz CTSXUQDMEXDMNA-NSHDSACASA-N 0 0 380.417 2.818 10 0 GFAERN CCn1c(C)nnc1CS(=O)(=O)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000185197838 552356939 /nfs/dbraw/zinc/35/69/39/552356939.db2.gz YFRPQLIKAWHPGN-UHFFFAOYSA-N 0 0 379.873 2.561 10 0 GFAERN COCCCCS(=O)(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000185377697 552362030 /nfs/dbraw/zinc/36/20/30/552362030.db2.gz AOZWGMGXZWQYEW-HUUCEWRRSA-N 0 0 381.416 2.570 10 0 GFAERN O=C(NC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1)C1CCC1 ZINC000186184160 552381223 /nfs/dbraw/zinc/38/12/23/552381223.db2.gz JRMMJCSGLOJJOZ-UHFFFAOYSA-N 0 0 396.818 2.648 10 0 GFAERN Cc1c(Br)cccc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000186656347 552393582 /nfs/dbraw/zinc/39/35/82/552393582.db2.gz JQZNJEUACUGCGY-CYBMUJFWSA-N 0 0 383.286 2.769 10 0 GFAERN CSc1ccccc1S(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000187234017 552410029 /nfs/dbraw/zinc/41/00/29/552410029.db2.gz BXDFJTGHZRGRMU-OAHLLOKOSA-N 0 0 380.539 2.718 10 0 GFAERN O=C(CSc1cccc(Br)c1)N1CC(NC(=O)C2CCC2)C1 ZINC000188516213 552447246 /nfs/dbraw/zinc/44/72/46/552447246.db2.gz QVMRLUZTPNXTPF-UHFFFAOYSA-N 0 0 383.311 2.668 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(Br)n2)C12CCOCC2 ZINC000188587865 552449114 /nfs/dbraw/zinc/44/91/14/552449114.db2.gz RZKLPPAXEXRAQQ-NWDGAFQWSA-N 0 0 384.274 2.940 10 0 GFAERN CCOC(C)(C)CNC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000188654112 552450566 /nfs/dbraw/zinc/45/05/66/552450566.db2.gz PUBXPFJTYXQAQJ-VIFPVBQESA-N 0 0 387.263 2.909 10 0 GFAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3Cl)CCO2)cn1 ZINC000189224867 552466005 /nfs/dbraw/zinc/46/60/05/552466005.db2.gz BNRBZSJJJCYRJW-AWEZNQCLSA-N 0 0 390.292 2.972 10 0 GFAERN O=C(CCSc1ccc(Br)cc1)N1CC(NC(=O)C2CC2)C1 ZINC000189448652 552472121 /nfs/dbraw/zinc/47/21/21/552472121.db2.gz OWUWLUSYBFJOHX-UHFFFAOYSA-N 0 0 383.311 2.668 10 0 GFAERN CCOc1ccc(NC(=O)N2CCC[C@H](NC(C)=O)C2)cc1Br ZINC000189498519 552473190 /nfs/dbraw/zinc/47/31/90/552473190.db2.gz VFUHLVGEZLYPLJ-ZDUSSCGKSA-N 0 0 384.274 2.980 10 0 GFAERN C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@@H]1N1CCOCC1 ZINC000189935255 552483267 /nfs/dbraw/zinc/48/32/67/552483267.db2.gz ULKFFYIUVVNCOU-AAEUAGOBSA-N 0 0 380.901 2.584 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cnc1Br ZINC000190160178 552489357 /nfs/dbraw/zinc/48/93/57/552489357.db2.gz LYSTVDKBUHOCKW-CYBMUJFWSA-N 0 0 392.257 2.568 10 0 GFAERN C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190398603 552494818 /nfs/dbraw/zinc/49/48/18/552494818.db2.gz SVIAQYQKZJNXEB-GFCCVEGCSA-N 0 0 394.313 2.690 10 0 GFAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190597743 552502972 /nfs/dbraw/zinc/50/29/72/552502972.db2.gz GXKVZNJYNQAQMX-CQSZACIVSA-N 0 0 398.207 2.945 10 0 GFAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000190654391 552504941 /nfs/dbraw/zinc/50/49/41/552504941.db2.gz MPTYWBWUBFOPSQ-GXTWGEPZSA-N 0 0 387.343 2.970 10 0 GFAERN CCn1cc([C@@H]2CN(CC(=O)Nc3ccc(Br)cc3)CCO2)cn1 ZINC000190751803 552508097 /nfs/dbraw/zinc/50/80/97/552508097.db2.gz WEHHDODTCMDWKP-INIZCTEOSA-N 0 0 393.285 2.678 10 0 GFAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 ZINC000190758446 552508098 /nfs/dbraw/zinc/50/80/98/552508098.db2.gz WOAXKHWAJKCYBS-BXUZGUMPSA-N 0 0 379.258 2.843 10 0 GFAERN C[C@H]1OCCC[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000191051320 552517465 /nfs/dbraw/zinc/51/74/65/552517465.db2.gz XEYRYOFMIFFNRN-KOLCDFICSA-N 0 0 379.263 2.827 10 0 GFAERN O[C@H](COc1ccccc1)CN1CCN(Cc2ccc(Br)o2)CC1 ZINC000191343153 552525175 /nfs/dbraw/zinc/52/51/75/552525175.db2.gz VKFUEQOYIOPSGZ-HNNXBMFYSA-N 0 0 395.297 2.600 10 0 GFAERN COC(=O)C[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1ccc(Br)cc1 ZINC000191419259 552527513 /nfs/dbraw/zinc/52/75/13/552527513.db2.gz VBBQUARQRLNHKO-GLQYFDAESA-N 0 0 384.270 2.985 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000191760643 552536851 /nfs/dbraw/zinc/53/68/51/552536851.db2.gz QZHTZCXCHNGUKN-ZDUSSCGKSA-N 0 0 379.298 2.998 10 0 GFAERN CCn1cc([C@@H]2CN(C(=O)c3ccc(C)nc3Br)CCO2)cn1 ZINC000191752655 552536858 /nfs/dbraw/zinc/53/68/58/552536858.db2.gz WCHBWURBIBGDID-AWEZNQCLSA-N 0 0 379.258 2.583 10 0 GFAERN CSC1(CNC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 ZINC000193238930 552987329 /nfs/dbraw/zinc/98/73/29/552987329.db2.gz IMYADBDRCNORRA-MRVPVSSYSA-N 0 0 387.288 2.990 10 0 GFAERN CCCCOC[C@H](O)CN(C)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000193385832 552991634 /nfs/dbraw/zinc/99/16/34/552991634.db2.gz SQQDCELIBDBLKC-CYBMUJFWSA-N 0 0 394.331 2.556 10 0 GFAERN COC(=O)[C@@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1ccccc1 ZINC000193535752 552995952 /nfs/dbraw/zinc/99/59/52/552995952.db2.gz VDUROVFNPGZLIG-CVEARBPZSA-N 0 0 390.233 2.783 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3c(F)cc(F)cc3F)CCO2)n1 ZINC000193951607 553007689 /nfs/dbraw/zinc/00/76/89/553007689.db2.gz RMVJNVVDKOGKLF-GFCCVEGCSA-N 0 0 378.397 2.631 10 0 GFAERN Cc1noc(C)c1S(=O)(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193955774 553008176 /nfs/dbraw/zinc/00/81/76/553008176.db2.gz WYRHCQOEKIXWED-GFCCVEGCSA-N 0 0 385.511 2.808 10 0 GFAERN C[C@@H](CNC(=O)N(C)[C@@H](C)c1ccccc1Br)N1CCOCC1 ZINC000195056836 553036816 /nfs/dbraw/zinc/03/68/16/553036816.db2.gz VONLXRMHSQWWRH-KBPBESRZSA-N 0 0 384.318 2.872 10 0 GFAERN COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000195141395 553039631 /nfs/dbraw/zinc/03/96/31/553039631.db2.gz KPMPERDIAVUCEG-CQSZACIVSA-N 0 0 380.853 2.579 10 0 GFAERN O=C(Nc1ccc(Br)cc1F)C(=O)N[C@@H]1COc2ccccc21 ZINC000195275501 553043838 /nfs/dbraw/zinc/04/38/38/553043838.db2.gz HPZQGSLPYBAJDA-CYBMUJFWSA-N 0 0 379.185 2.777 10 0 GFAERN CCc1csc([C@@H]2CCCN(Cc3nn4c(nc(C)cc4=O)s3)C2)n1 ZINC000195379624 553046727 /nfs/dbraw/zinc/04/67/27/553046727.db2.gz VXDUVCBVILFMAA-GFCCVEGCSA-N 0 0 375.523 2.858 10 0 GFAERN COC(=O)c1sc2cnc(S(C)(=O)=O)nc2c1-c1ccccc1OC ZINC000215978971 553052900 /nfs/dbraw/zinc/05/29/00/553052900.db2.gz LPJLSJBTTFGLJR-UHFFFAOYSA-N 0 0 378.431 2.557 10 0 GFAERN C[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CCS1 ZINC000245755044 553096514 /nfs/dbraw/zinc/09/65/14/553096514.db2.gz OVJOHRWQDXYDJE-KBRIMQKVSA-N 0 0 383.945 2.859 10 0 GFAERN COC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000245836896 553097733 /nfs/dbraw/zinc/09/77/33/553097733.db2.gz ATCDJUQKCOHECS-CABCVRRESA-N 0 0 379.258 2.592 10 0 GFAERN CCc1nnc(NC(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)s1 ZINC000246318451 553106585 /nfs/dbraw/zinc/10/65/85/553106585.db2.gz AIKBEMIRQPQXKB-NWDGAFQWSA-N 0 0 381.527 2.746 10 0 GFAERN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246373737 553107132 /nfs/dbraw/zinc/10/71/32/553107132.db2.gz HOUQRBORTXGFQU-PBFPGSCMSA-N 0 0 386.323 2.973 10 0 GFAERN CC[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CCN1C[C@H](C)O ZINC000246939653 553115463 /nfs/dbraw/zinc/11/54/63/553115463.db2.gz RRLJHMWQJBEQLF-RYUDHWBXSA-N 0 0 383.901 2.974 10 0 GFAERN CNc1snc(C)c1C(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246969966 553116775 /nfs/dbraw/zinc/11/67/75/553116775.db2.gz PYQCBNXMCIZULW-WCQYABFASA-N 0 0 380.539 2.747 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC000247233548 553120146 /nfs/dbraw/zinc/12/01/46/553120146.db2.gz PBDNHHZRAMSKPU-KYOSRNDESA-N 0 0 388.327 2.567 10 0 GFAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000247411142 553122122 /nfs/dbraw/zinc/12/21/22/553122122.db2.gz QCGXBZVWWZBACU-DYVFJYSZSA-N 0 0 389.297 2.944 10 0 GFAERN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000247731062 553125115 /nfs/dbraw/zinc/12/51/15/553125115.db2.gz UPQVBXAJEMNCTC-YESZJQIVSA-N 0 0 390.281 2.677 10 0 GFAERN C[C@H](NC(=O)CNC(=O)COc1ccccc1)c1cccc(Br)c1 ZINC000248382862 553128880 /nfs/dbraw/zinc/12/88/80/553128880.db2.gz YJKNBZFZYVDUOM-ZDUSSCGKSA-N 0 0 391.265 2.822 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000249699640 553145428 /nfs/dbraw/zinc/14/54/28/553145428.db2.gz WZNJVPMZCTWHCI-GJZGRUSLSA-N 0 0 386.514 2.683 10 0 GFAERN CC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)c3cccc(F)c3)O2)no1 ZINC000096268966 560054288 /nfs/dbraw/zinc/05/42/88/560054288.db2.gz NPIBGWOAAHPDRZ-OKZBNKHCSA-N 0 0 390.455 2.992 10 0 GFAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000373056092 563327370 /nfs/dbraw/zinc/32/73/70/563327370.db2.gz HBXFVLRPQAFLTJ-RYUDHWBXSA-N 0 0 380.436 2.585 10 0 GFAERN C[C@H]1C[C@@H](O)CN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000401709397 563535028 /nfs/dbraw/zinc/53/50/28/563535028.db2.gz SFXJXDZRXKDVLB-WCBMZHEXSA-N 0 0 379.625 2.788 10 0 GFAERN CCO[C@@]1(C(=O)Nc2cc(C)cc(I)c2)CCOC1 ZINC000591722833 565237495 /nfs/dbraw/zinc/23/74/95/565237495.db2.gz VOVWWRBTIQXAGS-AWEZNQCLSA-N 0 0 375.206 2.734 10 0 GFAERN CN(Cc1cc(Cl)ccc1I)C[C@@H]1CN(C)CCO1 ZINC000593010776 565306778 /nfs/dbraw/zinc/30/67/78/565306778.db2.gz LFMQQFRPBFHATK-ZDUSSCGKSA-N 0 0 394.684 2.707 10 0 GFAERN CCC(=O)N1CCC([C@@H](NC(=O)c2cccc(C)c2)C(=O)N[C@@H](C)CC)CC1 ZINC000036211970 570572775 /nfs/dbraw/zinc/57/27/75/570572775.db2.gz HSNDJBUHNNUBGM-OXJNMPFZSA-N 0 0 387.524 2.657 10 0 GFAERN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccco1)C2 ZINC000064566225 570596646 /nfs/dbraw/zinc/59/66/46/570596646.db2.gz GXIWLSZIAOJXFL-UHFFFAOYSA-N 0 0 389.415 2.852 10 0 GFAERN Cc1cc(Cl)ccc1NC(=O)N1CCN(C2=CC3=NC[C@H](C)N3C=N2)CC1 ZINC000065265453 570766343 /nfs/dbraw/zinc/76/63/43/570766343.db2.gz PDDJXWIYZFHXNC-AWEZNQCLSA-N 0 0 386.887 2.784 10 0 GFAERN O=C(OC[C@H]1CC1(Cl)Cl)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000030950089 654590555 /nfs/dbraw/zinc/59/05/55/654590555.db2.gz VDZMAOVSAWFZSU-YPMHNXCESA-N 0 0 378.277 2.577 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000041758452 654630981 /nfs/dbraw/zinc/63/09/81/654630981.db2.gz RYTMWMFUCIJMRW-SECBINFHSA-N 0 0 386.882 2.621 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)s1 ZINC000041758834 654631148 /nfs/dbraw/zinc/63/11/48/654631148.db2.gz IBMFQKFJUPEUIN-SNVBAGLBSA-N 0 0 379.869 2.919 10 0 GFAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000043827213 654651699 /nfs/dbraw/zinc/65/16/99/654651699.db2.gz YKCOMUAJHMHIMW-DTWKUNHWSA-N 0 0 384.807 2.838 10 0 GFAERN COCCN(Cc1ccco1)C[C@@H](O)COc1cccc(Br)c1 ZINC000046062217 654674740 /nfs/dbraw/zinc/67/47/40/654674740.db2.gz YRNFICUKPIRZFD-OAHLLOKOSA-N 0 0 384.270 2.930 10 0 GFAERN O=C(NCCOC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccncc1 ZINC000050206551 654718696 /nfs/dbraw/zinc/71/86/96/654718696.db2.gz GODXGTNDNRFVFC-HOTGVXAUSA-N 0 0 389.249 2.921 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)c(Br)c1 ZINC000123454715 654756482 /nfs/dbraw/zinc/75/64/82/654756482.db2.gz OZMVRGKAPVJEII-AWEZNQCLSA-N 0 0 389.315 2.900 10 0 GFAERN O=C(c1ccc(Br)o1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000125400714 654793377 /nfs/dbraw/zinc/79/33/77/654793377.db2.gz IRQWGVWFPDGEIE-UHFFFAOYSA-N 0 0 395.257 2.651 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 ZINC000126433950 654814038 /nfs/dbraw/zinc/81/40/38/654814038.db2.gz NXYPUVWLKJBDQE-KGLIPLIRSA-N 0 0 379.551 2.692 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000062087345 654843545 /nfs/dbraw/zinc/84/35/45/654843545.db2.gz PHNIEHZUAHLZSH-SNVBAGLBSA-N 0 0 391.221 2.994 10 0 GFAERN COC(=O)[C@@H]1CCCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000066835133 654916756 /nfs/dbraw/zinc/91/67/56/654916756.db2.gz IYEVZPHZLMQGKW-LLVKDONJSA-N 0 0 380.293 2.652 10 0 GFAERN COC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000066833829 654916808 /nfs/dbraw/zinc/91/68/08/654916808.db2.gz CQBFQDMFKWWCDS-SNVBAGLBSA-N 0 0 389.677 2.926 10 0 GFAERN CCCn1nccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000133337024 654960795 /nfs/dbraw/zinc/96/07/95/654960795.db2.gz YUQNNYRCARDFJY-NSHDSACASA-N 0 0 379.258 2.872 10 0 GFAERN CCn1cnnc1C1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000068487863 654963873 /nfs/dbraw/zinc/96/38/73/654963873.db2.gz FXACYUPADCZXSJ-UHFFFAOYSA-N 0 0 379.258 2.786 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(F)cc1Br ZINC000134691444 655001115 /nfs/dbraw/zinc/00/11/15/655001115.db2.gz LLFYWWLHURWZOS-LBPRGKRZSA-N 0 0 398.236 2.983 10 0 GFAERN C[C@H](O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000136281621 655029300 /nfs/dbraw/zinc/02/93/00/655029300.db2.gz JWLOTJCBQOEXNA-AAEUAGOBSA-N 0 0 385.291 2.966 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(F)ccc1Br)CC2 ZINC000136366507 655030646 /nfs/dbraw/zinc/03/06/46/655030646.db2.gz UTOUFJJKGHECRR-JTQLQIEISA-N 0 0 382.237 2.879 10 0 GFAERN Cc1csc([C@@H]2CN(CC(=O)Nc3nnc(C(C)(C)C)s3)CCO2)n1 ZINC000136937959 655036784 /nfs/dbraw/zinc/03/67/84/655036784.db2.gz RMPVQOJUTGDPBN-NSHDSACASA-N 0 0 381.527 2.613 10 0 GFAERN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000097699228 655037804 /nfs/dbraw/zinc/03/78/04/655037804.db2.gz HMNJGARHORMMCA-UWVGGRQHSA-N 0 0 397.299 2.981 10 0 GFAERN CCOCC[N@@H+]1CCN(Cn2nc(N3CCCC3)sc2=S)C[C@@H]1CC ZINC000152616826 655060159 /nfs/dbraw/zinc/06/01/59/655060159.db2.gz FPWJYWYEPKMARO-HNNXBMFYSA-N 0 0 385.603 2.664 10 0 GFAERN CC(=O)N[C@H]1CCCN(Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000153371175 655066384 /nfs/dbraw/zinc/06/63/84/655066384.db2.gz RCZNLKNTQBPPDW-INIZCTEOSA-N 0 0 377.286 2.871 10 0 GFAERN CC(C)(C)OC[C@@H](O)CN(CCO)Cc1cc(Br)ccc1F ZINC000103228739 655069640 /nfs/dbraw/zinc/06/96/40/655069640.db2.gz SCZLYPIOOLMIGQ-AWEZNQCLSA-N 0 0 378.282 2.559 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccccc2Br)C1 ZINC000103478274 655073025 /nfs/dbraw/zinc/07/30/25/655073025.db2.gz QTXXNBINYOIEPR-CYBMUJFWSA-N 0 0 392.301 2.879 10 0 GFAERN O=C(NCc1ccco1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000155177678 655081815 /nfs/dbraw/zinc/08/18/15/655081815.db2.gz VEIMDRGKFCDPBH-UHFFFAOYSA-N 0 0 379.869 2.741 10 0 GFAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3cccc(Cl)c3Cl)CCO2)c1 ZINC000106198047 655105019 /nfs/dbraw/zinc/10/50/19/655105019.db2.gz FOXYZZFODHGGFP-CYBMUJFWSA-N 0 0 383.279 2.838 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000106219440 655105251 /nfs/dbraw/zinc/10/52/51/655105251.db2.gz XTDXDHOWSVCARI-AWEZNQCLSA-N 0 0 378.274 2.625 10 0 GFAERN CCOCCN1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1CC ZINC000158926655 655110489 /nfs/dbraw/zinc/11/04/89/655110489.db2.gz QUQAECBMPZIKKC-LBPRGKRZSA-N 0 0 396.340 2.510 10 0 GFAERN O=C(c1cc(Br)cnc1Cl)N1CCCN(c2cccnn2)CC1 ZINC000109628832 655149139 /nfs/dbraw/zinc/14/91/39/655149139.db2.gz CWBOFSDFXCSKEQ-UHFFFAOYSA-N 0 0 396.676 2.640 10 0 GFAERN O=C(c1ccccc1Br)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000109643849 655149611 /nfs/dbraw/zinc/14/96/11/655149611.db2.gz RUVQDHPAQYDNPV-SFHVURJKSA-N 0 0 389.293 2.941 10 0 GFAERN Cn1cc(CN2CCCN(C(=O)c3ccc(Br)c(F)c3)CC2)cn1 ZINC000109657875 655149799 /nfs/dbraw/zinc/14/97/99/655149799.db2.gz VHRRANFBRJPVCW-UHFFFAOYSA-N 0 0 395.276 2.670 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1cncc(O)c1)c1cccc(Br)c1 ZINC000109956233 655154617 /nfs/dbraw/zinc/15/46/17/655154617.db2.gz HHTXANMZKVMKNB-AWEZNQCLSA-N 0 0 379.210 2.584 10 0 GFAERN CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110885726 655160916 /nfs/dbraw/zinc/16/09/16/655160916.db2.gz OFMZKIGEGRYNPK-AWEZNQCLSA-N 0 0 380.491 2.539 10 0 GFAERN COc1ccc(SCC(=O)N2CCN(Cc3cnc(C)s3)CC2)cc1 ZINC000110941408 655162226 /nfs/dbraw/zinc/16/22/26/655162226.db2.gz XTCGAGCHXKMMAU-UHFFFAOYSA-N 0 0 377.535 2.897 10 0 GFAERN CCOCCN1CCN(C(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000111815352 655177663 /nfs/dbraw/zinc/17/76/63/655177663.db2.gz AQBWMCGAKKGMIP-CQSZACIVSA-N 0 0 384.318 2.874 10 0 GFAERN C[C@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1Br ZINC000173766327 655180649 /nfs/dbraw/zinc/18/06/49/655180649.db2.gz FUYYJLSNYKTJDX-UONOGXRCSA-N 0 0 382.302 2.626 10 0 GFAERN C[C@@H](COCc1ccccc1)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000173794594 655181667 /nfs/dbraw/zinc/18/16/67/655181667.db2.gz TYUUHPJDDBDPRZ-ZDUSSCGKSA-N 0 0 379.869 2.871 10 0 GFAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000112303761 655187935 /nfs/dbraw/zinc/18/79/35/655187935.db2.gz NAHOIULIDBFFIO-MQNRADLISA-N 0 0 386.945 2.758 10 0 GFAERN COCCN1CCN(C(=O)Nc2c(F)cc(Br)cc2F)C[C@H]1C ZINC000174075749 655191557 /nfs/dbraw/zinc/19/15/57/655191557.db2.gz IHTCSYBOWLVQGE-SNVBAGLBSA-N 0 0 392.244 2.912 10 0 GFAERN COC(=O)C[C@H](NC(=O)NCC(C)(C)OC)c1cccc(Br)c1 ZINC000174274986 655196619 /nfs/dbraw/zinc/19/66/19/655196619.db2.gz ZILLWMHMAZZRRT-ZDUSSCGKSA-N 0 0 387.274 2.778 10 0 GFAERN Cc1cc(C(=O)N2CCCC[C@H]2c2nccs2)cc(S(N)(=O)=O)c1C ZINC000174595782 655204716 /nfs/dbraw/zinc/20/47/16/655204716.db2.gz SCHSKFDDMVZCRM-AWEZNQCLSA-N 0 0 379.507 2.775 10 0 GFAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3C)C2)n1 ZINC000116899764 655256193 /nfs/dbraw/zinc/25/61/93/655256193.db2.gz TZZMIWNGRSKSKH-OAHLLOKOSA-N 0 0 382.917 2.958 10 0 GFAERN CC(C)n1nnnc1C[S@@](=O)Cc1csc(CCc2ccccc2)n1 ZINC000176942402 655262917 /nfs/dbraw/zinc/26/29/17/655262917.db2.gz QTHYTLJXXYHATM-VWLOTQADSA-N 0 0 375.523 2.945 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(OC)ccc2Br)C[C@@H]1C ZINC000117280254 655262936 /nfs/dbraw/zinc/26/29/36/655262936.db2.gz KMZVHPLTENIOPQ-ZDUSSCGKSA-N 0 0 385.302 2.641 10 0 GFAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCc2cccc(Br)c2C1 ZINC000177378763 655274653 /nfs/dbraw/zinc/27/46/53/655274653.db2.gz VFSGUHRDHCKVFD-CQSZACIVSA-N 0 0 376.258 2.643 10 0 GFAERN O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177518882 655279149 /nfs/dbraw/zinc/27/91/49/655279149.db2.gz GRAMMMYORNWDON-LLVKDONJSA-N 0 0 386.260 2.989 10 0 GFAERN Cc1nn(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c(C)c1Br ZINC000118954273 655284399 /nfs/dbraw/zinc/28/43/99/655284399.db2.gz INVJMPLOSIUUNO-QGZVFWFLSA-N 0 0 393.329 2.571 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(Br)cc1 ZINC000119213482 655293167 /nfs/dbraw/zinc/29/31/67/655293167.db2.gz HESFVRWVGVTUNG-ZDUSSCGKSA-N 0 0 378.274 2.937 10 0 GFAERN CC(C)c1csc([C@H]2CCCN(C(=O)c3coc(S(N)(=O)=O)c3)C2)n1 ZINC000120494847 655337206 /nfs/dbraw/zinc/33/72/06/655337206.db2.gz LIEWNWFRMDNKMA-NSHDSACASA-N 0 0 383.495 2.527 10 0 GFAERN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000182181822 655342812 /nfs/dbraw/zinc/34/28/12/655342812.db2.gz IDTIGIZIPJLHJG-TVQRCGJNSA-N 0 0 380.388 2.918 10 0 GFAERN C[C@@H]1CC[C@H](C(=O)OCc2nc(Cc3ccccc3Br)n[nH]2)O1 ZINC000185382399 655364081 /nfs/dbraw/zinc/36/40/81/655364081.db2.gz LOQRPJLYIVPLIO-ZWNOBZJWSA-N 0 0 380.242 2.769 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000193594842 655411172 /nfs/dbraw/zinc/41/11/72/655411172.db2.gz HKMTUKLVVUNYPK-WBVHZDCISA-N 0 0 389.249 2.828 10 0 GFAERN O=C1c2cc(Br)ccc2N(CN2CCO[C@@H]3CCCC[C@H]32)C1=O ZINC000249710023 655434564 /nfs/dbraw/zinc/43/45/64/655434564.db2.gz UGYGHCSRTDVOKS-HUUCEWRRSA-N 0 0 379.254 2.579 10 0 GFAERN C[C@@H](NS(=O)(=O)/C=C\c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000255634505 655439933 /nfs/dbraw/zinc/43/99/33/655439933.db2.gz UKMVGFNFHPVRTM-YLGBQOPLSA-N 0 0 383.466 2.881 10 0 GFAERN CNC(=O)c1cncc(/C=C\C(=O)Oc2ccc(F)cc2Br)c1 ZINC000255904619 655440897 /nfs/dbraw/zinc/44/08/97/655440897.db2.gz BQDIRDJTSTXPJM-DJWKRKHSSA-N 0 0 379.185 2.962 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000262718946 655446633 /nfs/dbraw/zinc/44/66/33/655446633.db2.gz OQKGWLFATLNRPB-UHFFFAOYSA-N 0 0 395.297 2.534 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000263552145 655452710 /nfs/dbraw/zinc/45/27/10/655452710.db2.gz LQHXYJCUYPTJNC-UHFFFAOYSA-N 0 0 376.682 2.873 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C\c1ccccc1Br ZINC000751253788 655824029 /nfs/dbraw/zinc/82/40/29/655824029.db2.gz OTVOCVFPWZBMFC-QQBNSCQMSA-N 0 0 397.298 2.774 10 0 GFAERN O=C(CN1CSCCSC1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000900881552 663723347 /nfs/dbraw/zinc/72/33/47/663723347.db2.gz UJYDLTNXUGBNCV-LLVKDONJSA-N 0 0 394.488 2.832 10 0 GFAERN O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(C2SCCCS2)cc1 ZINC000909158009 664147028 /nfs/dbraw/zinc/14/70/28/664147028.db2.gz UXQQRLGYDCYTFM-BZUAXINKSA-N 0 0 375.519 2.856 10 0 GFAERN Cc1[nH]c(=O)c(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(C)c1C ZINC000253534929 222742613 /nfs/dbraw/zinc/74/26/13/222742613.db2.gz XIXFMHMMRIGYCG-FUHIMQAGSA-N 0 0 382.460 2.889 10 0 GFAERN CCCn1c2nc(/C=C/c3ccc4c(c3)OCO4)n(C)c2c(=O)n(CCC)c1=O ZINC000033984708 212161214 /nfs/dbraw/zinc/16/12/14/212161214.db2.gz WFCADBVZUZQONR-VQHVLOKHSA-N 0 0 396.447 2.616 10 0 GFAERN C[C@@H]1OC[C@@H]2O[C@H](O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2O1 ZINC000255963835 212137763 /nfs/dbraw/zinc/13/77/63/212137763.db2.gz BALYQVSNDKYQHO-QMNXXZJTSA-N 0 0 386.444 2.636 10 0 GFAERN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)C1=O ZINC000012021417 221142865 /nfs/dbraw/zinc/14/28/65/221142865.db2.gz QGWCCHYKUJDEOY-SNVBAGLBSA-N 0 0 380.372 2.530 10 0 GFAERN Cc1csc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)n1 ZINC000012024775 221143141 /nfs/dbraw/zinc/14/31/41/221143141.db2.gz FFNUHCCIYHYKIR-MRVPVSSYSA-N 0 0 399.881 2.670 10 0 GFAERN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3cccs3)c(Cl)c2)C1=O ZINC000012025596 221143155 /nfs/dbraw/zinc/14/31/55/221143155.db2.gz VDVGJENNXOSEKN-SNVBAGLBSA-N 0 0 398.893 2.644 10 0 GFAERN O=C(NC[C@@H]1Cc2cc(F)cc(-c3ncccn3)c2O1)c1noc2c1CCCC2 ZINC000012028343 221143407 /nfs/dbraw/zinc/14/34/07/221143407.db2.gz CYRLUPAJKJPXRK-AWEZNQCLSA-N 0 0 394.406 2.883 10 0 GFAERN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3cc(F)cc(F)c3)c2)C1=O ZINC000012026429 221143903 /nfs/dbraw/zinc/14/39/03/221143903.db2.gz NFMYCYSYFIQENO-UHFFFAOYSA-N 0 0 394.399 2.920 10 0 GFAERN Cc1csc(CN(C)[C@@H]2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)n1 ZINC000014755713 221317599 /nfs/dbraw/zinc/31/75/99/221317599.db2.gz SMQCIKANSVEPDE-OAHLLOKOSA-N 0 0 389.569 2.995 10 0 GFAERN CC(=O)N1c2ccccc2C[C@@H]1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000021154751 221528142 /nfs/dbraw/zinc/52/81/42/221528142.db2.gz ZYVMAKWQMUDPHU-JOCHJYFZSA-N 0 0 377.488 2.930 10 0 GFAERN O=C1CN(c2ccccc2)C(=O)[C@H](c2cccnc2)N1c1ccc2c(c1)OCO2 ZINC000065273843 136162212 /nfs/dbraw/zinc/16/22/12/136162212.db2.gz JHTQBOSUQIQHCM-NRFANRHFSA-N 0 0 387.395 2.931 10 0 GFAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc2ccccc2c1 ZINC000224359359 136206925 /nfs/dbraw/zinc/20/69/25/136206925.db2.gz JXTYUVNCIYXKHD-UHFFFAOYSA-N 0 0 377.448 2.785 10 0 GFAERN Cc1nn(Cn2ccc(C(=O)Nc3nccs3)n2)c(C)c1Br ZINC000027973600 221664108 /nfs/dbraw/zinc/66/41/08/221664108.db2.gz IIHBXLVCHRCPSM-UHFFFAOYSA-N 0 0 381.259 2.674 10 0 GFAERN Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000036054945 221840707 /nfs/dbraw/zinc/84/07/07/221840707.db2.gz WCMFRBNMCKXOIG-NHCUHLMSSA-N 0 0 396.462 2.849 10 0 GFAERN COc1cccc(CN2CCc3c(cc(C(=O)NC[C@@H]4CCCO4)n3C)C2)c1 ZINC000065210951 222111829 /nfs/dbraw/zinc/11/18/29/222111829.db2.gz PRDMNTJYKSHUFB-IBGZPJMESA-N 0 0 383.492 2.501 10 0 GFAERN Cc1nn2c(CNC(=O)C3CCN(C(=O)c4ccccc4)CC3)c(C)nc2s1 ZINC000065216849 222111924 /nfs/dbraw/zinc/11/19/24/222111924.db2.gz ZGBVLKXFCHASCB-UHFFFAOYSA-N 0 0 397.504 2.576 10 0 GFAERN O=C(c1ccc(F)cc1)[C@H]1[C@@H]2[C@@H](C(=O)[C@@H]3OC[C@H]2O3)[C@@H]2c3ccccc3C=CN12 ZINC000058986124 222056014 /nfs/dbraw/zinc/05/60/14/222056014.db2.gz YANFNRSMJXESCV-OBQNWJJYSA-N 0 0 391.398 2.975 10 0 GFAERN Cc1ccc2nc(C[NH2+][C@@H]3CCc4c(c(C(=O)[O-])nn4CC(C)C)C3)cn2c1 ZINC000067757730 222158061 /nfs/dbraw/zinc/15/80/61/222158061.db2.gz AEKQDMZEAKYPJF-OAHLLOKOSA-N 0 0 381.480 2.841 10 0 GFAERN CON1C(=O)CCC12CCN(C(=O)Cc1csc(-c3ccccc3)n1)CC2 ZINC000072154817 222211905 /nfs/dbraw/zinc/21/19/05/222211905.db2.gz FSRYIZYHYAUIDZ-UHFFFAOYSA-N 0 0 385.489 2.898 10 0 GFAERN Cc1cc(Cl)nc(S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090485 222330639 /nfs/dbraw/zinc/33/06/39/222330639.db2.gz LOUNGHLUEIKYFP-NSHDSACASA-N 0 0 375.878 2.612 10 0 GFAERN CCCS(=O)(=O)N1CCC2(CN(C[C@H]3CCOC3)c3ccccc32)CC1 ZINC000096078808 222376174 /nfs/dbraw/zinc/37/61/74/222376174.db2.gz GTRPZXKOEVPGRR-QGZVFWFLSA-N 0 0 378.538 2.617 10 0 GFAERN COC(=O)c1cccc(OCc2ccccc2)c1NS(=O)(=O)NC(C)C ZINC000504677692 534280412 /nfs/dbraw/zinc/28/04/12/534280412.db2.gz YNHUDTONFGSYLC-UHFFFAOYSA-N 0 0 378.450 2.707 10 0 GFAERN O=c1c2sccc2nc(N2CCC(O)CC2)n1Cc1cc(F)cc(F)c1 ZINC000057344616 527473054 /nfs/dbraw/zinc/47/30/54/527473054.db2.gz UDLMRBYSEAZYFT-UHFFFAOYSA-N 0 0 377.416 2.746 10 0 GFAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccncc3)nc(-c3cccc(F)c3)n2)CC1 ZINC000073685472 527610681 /nfs/dbraw/zinc/61/06/81/527610681.db2.gz KQXPKGOKWUXDNS-UHFFFAOYSA-N 0 0 393.422 2.551 10 0 GFAERN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1 ZINC000026244060 551120809 /nfs/dbraw/zinc/12/08/09/551120809.db2.gz GHYPQPJPYYTMED-AWEZNQCLSA-N 0 0 379.507 2.525 10 0 GFAERN C[C@H](NC(=O)Nc1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000043134562 551141102 /nfs/dbraw/zinc/14/11/02/551141102.db2.gz DDQWZYVODCWEQV-JTQLQIEISA-N 0 0 398.282 2.979 10 0 GFAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000110415851 551204586 /nfs/dbraw/zinc/20/45/86/551204586.db2.gz XYPCMYDMEOSVTK-NXEZZACHSA-N 0 0 382.239 2.715 10 0 GFAERN O=C(Nc1cc(F)ccc1Br)C(=O)N[C@H]1COc2ccccc21 ZINC000119126782 551215214 /nfs/dbraw/zinc/21/52/14/551215214.db2.gz JEQAUNOTXDCZSR-ZDUSSCGKSA-N 0 0 379.185 2.777 10 0 GFAERN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1[C@@H](C)COC[C@@H]1C ZINC000120966767 551223837 /nfs/dbraw/zinc/22/38/37/551223837.db2.gz BUDFOLLIIUIUHZ-UWVGGRQHSA-N 0 0 375.252 2.828 10 0 GFAERN COC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000120988951 551224198 /nfs/dbraw/zinc/22/41/98/551224198.db2.gz RWNVIQUHJMKRIK-CJNGLKHVSA-N 0 0 378.270 2.886 10 0 GFAERN C[C@H](NC(=O)N(C)Cc1cc(Cl)cn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000121093995 551227066 /nfs/dbraw/zinc/22/70/66/551227066.db2.gz IYRCRJQHAXQYES-LBPRGKRZSA-N 0 0 383.901 2.985 10 0 GFAERN C[C@@H](NC(=O)N(C)Cc1cc(Cl)cn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000121094139 551227234 /nfs/dbraw/zinc/22/72/34/551227234.db2.gz IYRCRJQHAXQYES-GFCCVEGCSA-N 0 0 383.901 2.985 10 0 GFAERN COc1sc(CN2CCCN(Cc3cnn(C)c3)CC2)cc1Br ZINC000121554228 551236704 /nfs/dbraw/zinc/23/67/04/551236704.db2.gz SICDURYPDCADAW-UHFFFAOYSA-N 0 0 399.358 2.961 10 0 GFAERN C[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000122750162 551301399 /nfs/dbraw/zinc/30/13/99/551301399.db2.gz BRDBHPFEQRQFEX-HUUCEWRRSA-N 0 0 381.519 2.603 10 0 GFAERN CN1CCO[C@H](CNC(=O)N(Cc2csc(Br)c2)C2CC2)C1 ZINC000125680826 551322304 /nfs/dbraw/zinc/32/23/04/551322304.db2.gz UWVAXLGRTJELPO-CYBMUJFWSA-N 0 0 388.331 2.515 10 0 GFAERN C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000128332529 551349205 /nfs/dbraw/zinc/34/92/05/551349205.db2.gz SNSMSOSFERRDGA-KOLCDFICSA-N 0 0 394.294 2.886 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(Br)c(C)n1 ZINC000128720996 551351519 /nfs/dbraw/zinc/35/15/19/551351519.db2.gz YAQYTWYQXSGKDU-NSHDSACASA-N 0 0 395.261 2.547 10 0 GFAERN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000131288207 551374019 /nfs/dbraw/zinc/37/40/19/551374019.db2.gz NEGOGZFOLYQRLZ-CHWSQXEVSA-N 0 0 388.917 2.620 10 0 GFAERN COC[C@H](C)CNC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000139575489 551392024 /nfs/dbraw/zinc/39/20/24/551392024.db2.gz DBDOAHDNTSJKGO-RISCZKNCSA-N 0 0 387.274 2.635 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cc(Br)ccc1OC ZINC000151123673 551407398 /nfs/dbraw/zinc/40/73/98/551407398.db2.gz PRJXJKXYGNHMBG-ZDUSSCGKSA-N 0 0 393.285 2.805 10 0 GFAERN COCCN1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1C ZINC000152472672 551433735 /nfs/dbraw/zinc/43/37/35/551433735.db2.gz QLXCJDDFJKXUJB-ZDUSSCGKSA-N 0 0 394.313 2.652 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3ccncc3Br)CC2)s1 ZINC000153911688 551463004 /nfs/dbraw/zinc/46/30/04/551463004.db2.gz BKOMZTHKYUDQER-UHFFFAOYSA-N 0 0 381.299 2.567 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000154433932 551475311 /nfs/dbraw/zinc/47/53/11/551475311.db2.gz PAMIMSCGTWRQCZ-SNVBAGLBSA-N 0 0 390.296 2.568 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CCO2)n1 ZINC000154752175 551482186 /nfs/dbraw/zinc/48/21/86/551482186.db2.gz JWHYYSXDRRDSQX-CYBMUJFWSA-N 0 0 383.279 2.930 10 0 GFAERN O=S(=O)(c1ccc(Cl)c2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000155324549 551497615 /nfs/dbraw/zinc/49/76/15/551497615.db2.gz SKCLBUDABHUKKI-CQSZACIVSA-N 0 0 380.897 2.588 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)Cc3cccc(I)c3)C2)cn1 ZINC000156150736 551515955 /nfs/dbraw/zinc/51/59/55/551515955.db2.gz YILWYVPNCCIJRF-CYBMUJFWSA-N 0 0 395.244 2.583 10 0 GFAERN O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000156601066 551525495 /nfs/dbraw/zinc/52/54/95/551525495.db2.gz IWXNRDRLRNGMFP-JOYOIKCWSA-N 0 0 389.677 2.708 10 0 GFAERN C[C@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000157999451 551545758 /nfs/dbraw/zinc/54/57/58/551545758.db2.gz KHWIZROLNBJKAC-XHDPSFHLSA-N 0 0 387.705 2.895 10 0 GFAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)c1 ZINC000158895745 551558457 /nfs/dbraw/zinc/55/84/57/551558457.db2.gz FRKJVYYFQZEYLC-NSHDSACASA-N 0 0 375.281 2.919 10 0 GFAERN C[C@H](NC(=O)NCc1ccccc1Br)c1nnc2n1CCCC2 ZINC000165620663 551629442 /nfs/dbraw/zinc/62/94/42/551629442.db2.gz OVCIYVHPYQZXCH-NSHDSACASA-N 0 0 378.274 2.937 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3ccc(Br)nc3)C2)n1 ZINC000166225174 551631420 /nfs/dbraw/zinc/63/14/20/551631420.db2.gz AYWXGUMPFBQYKQ-ZDUSSCGKSA-N 0 0 393.289 2.997 10 0 GFAERN C[C@H](NC(=O)c1ccc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000171130519 551648076 /nfs/dbraw/zinc/64/80/76/551648076.db2.gz FVUVGPIIWKBNIF-JTQLQIEISA-N 0 0 383.267 2.739 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)C1 ZINC000171468067 551656456 /nfs/dbraw/zinc/65/64/56/551656456.db2.gz IRAASKZTVYJVLU-QWHCGFSZSA-N 0 0 384.270 2.936 10 0 GFAERN C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCS1 ZINC000171571854 551658489 /nfs/dbraw/zinc/65/84/89/551658489.db2.gz KOVILEKLCCQEMI-NWDGAFQWSA-N 0 0 383.311 2.766 10 0 GFAERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000171675370 551660919 /nfs/dbraw/zinc/66/09/19/551660919.db2.gz NUAJHTNEMZRMGH-CYBMUJFWSA-N 0 0 383.901 2.910 10 0 GFAERN COC(=O)[C@@H](NC(=O)c1[nH]nc2ccc(Br)cc21)c1ccccc1 ZINC000171770185 551663311 /nfs/dbraw/zinc/66/33/11/551663311.db2.gz YYJLBHSODFCMEC-AWEZNQCLSA-N 0 0 388.221 2.970 10 0 GFAERN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172206239 551673224 /nfs/dbraw/zinc/67/32/24/551673224.db2.gz LWKJQWPQZNJFTK-NSHDSACASA-N 0 0 378.885 2.750 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(Br)cn2CC)C[C@H]1CC ZINC000172296953 551675171 /nfs/dbraw/zinc/67/51/71/551675171.db2.gz JRGPMEZEPXGHDX-OAHLLOKOSA-N 0 0 386.334 2.843 10 0 GFAERN Cc1ccc(C[C@H](C)NC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000172339632 551676737 /nfs/dbraw/zinc/67/67/37/551676737.db2.gz SDIWHDMFKIDHLO-WCQYABFASA-N 0 0 381.523 2.695 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3cc4ccc(Br)cc4[nH]3)CCO2)[nH]1 ZINC000173087566 551695386 /nfs/dbraw/zinc/69/53/86/551695386.db2.gz DXYVAIUBYJTTDE-CQSZACIVSA-N 0 0 390.241 2.571 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3cc4c(cccc4Br)[nH]3)CCO2)[nH]1 ZINC000173086596 551695519 /nfs/dbraw/zinc/69/55/19/551695519.db2.gz BCAWAHCBKRCDTG-CQSZACIVSA-N 0 0 390.241 2.571 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)COc3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000173093952 551696119 /nfs/dbraw/zinc/69/61/19/551696119.db2.gz XOMKKQNGECHCKY-CYBMUJFWSA-N 0 0 385.251 2.653 10 0 GFAERN C[C@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)C[C@H]1N1CCOCC1 ZINC000173398818 552085250 /nfs/dbraw/zinc/08/52/50/552085250.db2.gz VSZAKLIHFXLJPJ-YVEFUNNKSA-N 0 0 392.297 2.723 10 0 GFAERN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000173644721 552089963 /nfs/dbraw/zinc/08/99/63/552089963.db2.gz PLKYTUUCAYBNER-LLVKDONJSA-N 0 0 399.727 2.742 10 0 GFAERN C[C@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1cccc(Br)c1 ZINC000173773661 552091526 /nfs/dbraw/zinc/09/15/26/552091526.db2.gz DTDVDUGDUNRSKE-BBRMVZONSA-N 0 0 382.302 2.626 10 0 GFAERN Cc1cnn(CCNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000173809851 552092593 /nfs/dbraw/zinc/09/25/93/552092593.db2.gz RBXNKHGMBKNHHW-UHFFFAOYSA-N 0 0 375.782 2.877 10 0 GFAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Br)s1 ZINC000173827302 552093255 /nfs/dbraw/zinc/09/32/55/552093255.db2.gz FIPZUUHTMIBKJV-WDEREUQCSA-N 0 0 379.345 2.758 10 0 GFAERN Cc1cc(N2CCC[C@@H](NCc3ccccc3Br)C2=O)n(C)n1 ZINC000173853012 552094172 /nfs/dbraw/zinc/09/41/72/552094172.db2.gz BCLTXQZBBVVPBC-OAHLLOKOSA-N 0 0 377.286 2.776 10 0 GFAERN CCn1c(-c2ccc(Br)c(C)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000173955117 552095945 /nfs/dbraw/zinc/09/59/45/552095945.db2.gz NJRDDKKJLBQSSV-UHFFFAOYSA-N 0 0 377.242 2.664 10 0 GFAERN CC[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CCN1C[C@@H](C)O ZINC000174629777 552107611 /nfs/dbraw/zinc/10/76/11/552107611.db2.gz RRLJHMWQJBEQLF-NEPJUHHUSA-N 0 0 383.901 2.974 10 0 GFAERN O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@H]1COc2ccccc21 ZINC000174810566 552111049 /nfs/dbraw/zinc/11/10/49/552111049.db2.gz JEIABTKAWKCETR-LBPRGKRZSA-N 0 0 397.175 2.916 10 0 GFAERN Cc1ccc([C@H](CNC(=O)N(C)Cc2nccs2)N2CCOCC2)s1 ZINC000174985890 552113098 /nfs/dbraw/zinc/11/30/98/552113098.db2.gz JHTFHUYNSIQWKJ-AWEZNQCLSA-N 0 0 380.539 2.728 10 0 GFAERN CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000175205924 552117389 /nfs/dbraw/zinc/11/73/89/552117389.db2.gz VCLDBERDNQMZFI-NSHDSACASA-N 0 0 397.324 2.515 10 0 GFAERN COc1ccc(Br)c(S(=O)(=O)N[C@H]2COc3ccccc32)c1 ZINC000175249455 552119049 /nfs/dbraw/zinc/11/90/49/552119049.db2.gz MHSPTNQOCZHJDT-ZDUSSCGKSA-N 0 0 384.251 2.870 10 0 GFAERN Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC[C@@H]3c3nccs3)ccc21 ZINC000175378677 552120817 /nfs/dbraw/zinc/12/08/17/552120817.db2.gz KCXCWPJKMJCYEO-CYBMUJFWSA-N 0 0 379.463 2.504 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000175872234 552130795 /nfs/dbraw/zinc/13/07/95/552130795.db2.gz BSJCRIZNLPOXRH-QWHCGFSZSA-N 0 0 384.267 2.761 10 0 GFAERN O=C(CCc1cc(Cl)ccc1Br)N[C@@H]1CCc2ncnn2C1 ZINC000176050789 552135073 /nfs/dbraw/zinc/13/50/73/552135073.db2.gz ZQPVNGHLNTYXTB-GFCCVEGCSA-N 0 0 383.677 2.758 10 0 GFAERN Cc1cnn(C[C@@H]2CN(C(=O)CCc3ccc(Br)cc3)CCO2)c1 ZINC000176367847 552139601 /nfs/dbraw/zinc/13/96/01/552139601.db2.gz TWSQFCVSKUXWAD-KRWDZBQOSA-N 0 0 392.297 2.814 10 0 GFAERN CSc1cc(C(=O)NC[C@@H](c2ccc(C)s2)N2CCOCC2)ccn1 ZINC000176555318 552141482 /nfs/dbraw/zinc/14/14/82/552141482.db2.gz PATODIVLBGLFKL-HNNXBMFYSA-N 0 0 377.535 2.977 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C)ccc1I ZINC000177724318 552157644 /nfs/dbraw/zinc/15/76/44/552157644.db2.gz OOBABBIEGJJUMW-CYBMUJFWSA-N 0 0 396.232 2.764 10 0 GFAERN Cc1c(I)cccc1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177979599 552162270 /nfs/dbraw/zinc/16/22/70/552162270.db2.gz GUYACMAAVJORIC-ZDUSSCGKSA-N 0 0 384.261 2.910 10 0 GFAERN CNC(=O)[C@H](NC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1)C(C)C ZINC000178445813 552170686 /nfs/dbraw/zinc/17/06/86/552170686.db2.gz ORXNKSNIVHICTI-QMTHXVAHSA-N 0 0 388.281 2.589 10 0 GFAERN C[C@@H]1CC[C@H](NC(=O)NCc2ccc(S(N)(=O)=O)s2)c2ccccc21 ZINC000179020682 552182293 /nfs/dbraw/zinc/18/22/93/552182293.db2.gz IIPGFTWXCJOIGE-ABAIWWIYSA-N 0 0 379.507 2.833 10 0 GFAERN CC(=O)N1CCC(NC(=O)CN[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000179542993 552196013 /nfs/dbraw/zinc/19/60/13/552196013.db2.gz KLPSMUWRVHSWTR-SNVBAGLBSA-N 0 0 390.286 2.910 10 0 GFAERN COCCCN(C(=O)N[C@@H](C)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000179570703 552196798 /nfs/dbraw/zinc/19/67/98/552196798.db2.gz ZOHUJVKAICOTKF-NWDGAFQWSA-N 0 0 394.946 2.698 10 0 GFAERN C[C@H](CNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CCOCC1 ZINC000179670112 552199919 /nfs/dbraw/zinc/19/99/19/552199919.db2.gz NQRQTBUGUOWPML-GFCCVEGCSA-N 0 0 383.279 2.630 10 0 GFAERN CCn1c(C)nnc1CN(C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000179682193 552200216 /nfs/dbraw/zinc/20/02/16/552200216.db2.gz KVFTVRPIODJLPE-HNNXBMFYSA-N 0 0 381.274 2.715 10 0 GFAERN Cc1nc(S(=O)(=O)N2CCOc3cc(F)ccc32)sc1Br ZINC000180078138 552212274 /nfs/dbraw/zinc/21/22/74/552212274.db2.gz TWLLSIIVMFYMNU-UHFFFAOYSA-N 0 0 393.259 2.941 10 0 GFAERN C[C@H](C(=O)N[C@@H]1CCCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000180145359 552215125 /nfs/dbraw/zinc/21/51/25/552215125.db2.gz HOQBKQYBVMEUMZ-NXEZZACHSA-N 0 0 385.247 2.663 10 0 GFAERN COc1sc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1Br ZINC000180227186 552218565 /nfs/dbraw/zinc/21/85/65/552218565.db2.gz IIPDNCWFGHYWHU-RISCZKNCSA-N 0 0 375.332 2.672 10 0 GFAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)[C@H](C)C2 ZINC000180598112 552230670 /nfs/dbraw/zinc/23/06/70/552230670.db2.gz OXBQHFNEMFDFNX-FZKQIMNGSA-N 0 0 379.503 2.610 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1ccc(Br)cc1C)CC2 ZINC000181938495 552271261 /nfs/dbraw/zinc/27/12/61/552271261.db2.gz MMDJBZRXLMZIPD-CQSZACIVSA-N 0 0 377.286 2.585 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1cc(F)ccc1Br)CC2 ZINC000182437721 552284264 /nfs/dbraw/zinc/28/42/64/552284264.db2.gz FGGVETUYZKFUBE-ZDUSSCGKSA-N 0 0 395.276 2.806 10 0 GFAERN Cc1nc(C)c(S(=O)(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)s1 ZINC000183191294 552302636 /nfs/dbraw/zinc/30/26/36/552302636.db2.gz UMAGVMZMEGOTCP-ZDUSSCGKSA-N 0 0 381.527 2.604 10 0 GFAERN O=C(NC[C@H]1CSCCS1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183260872 552304488 /nfs/dbraw/zinc/30/44/88/552304488.db2.gz SONXAICMUILIND-UONOGXRCSA-N 0 0 381.571 2.700 10 0 GFAERN C[C@@H](CNC(=O)NCCOCc1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000183471468 552310265 /nfs/dbraw/zinc/31/02/65/552310265.db2.gz LZUNSKLPANAIAI-ZDUSSCGKSA-N 0 0 390.311 2.530 10 0 GFAERN O=C(CNC(=O)N(Cc1csc(Br)c1)C1CC1)NCC1CC1 ZINC000183785202 552319240 /nfs/dbraw/zinc/31/92/40/552319240.db2.gz RWJPMTFZPNMILZ-UHFFFAOYSA-N 0 0 386.315 2.711 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)Nc2cncc(Br)c2)C12CCOCC2 ZINC000184572968 552338619 /nfs/dbraw/zinc/33/86/19/552338619.db2.gz VUZQHNSRZAIXDN-UONOGXRCSA-N 0 0 384.274 2.940 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000184762581 552344315 /nfs/dbraw/zinc/34/43/15/552344315.db2.gz BVRKOOPQKQGDNA-HOCLYGCPSA-N 0 0 383.945 2.975 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1Cc2cccc(Br)c2C1 ZINC000185522026 552365105 /nfs/dbraw/zinc/36/51/05/552365105.db2.gz JPJZDGSRIXBOFQ-AWEZNQCLSA-N 0 0 376.258 2.909 10 0 GFAERN O=C([C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)N1CCN(CCO)CC1 ZINC000185560506 552365539 /nfs/dbraw/zinc/36/55/39/552365539.db2.gz TZHAVUNAFWAZIC-DOTOQJQBSA-N 0 0 387.307 2.598 10 0 GFAERN CN(C)C(=O)NCCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000185567805 552366238 /nfs/dbraw/zinc/36/62/38/552366238.db2.gz PNWDBOTTYKMZCB-UKRRQHHQSA-N 0 0 388.295 2.849 10 0 GFAERN O=C(NCCCOCCO)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000185575433 552366383 /nfs/dbraw/zinc/36/63/83/552366383.db2.gz OXJRUGWAAVISEJ-GDBMZVCRSA-N 0 0 376.280 2.976 10 0 GFAERN CC[C@@H]1CN(C(=O)c2csc(Br)c2C)CCN1C[C@@H](C)O ZINC000185870134 552372777 /nfs/dbraw/zinc/37/27/77/552372777.db2.gz HPLTXUVGMDTDDP-ZYHUDNBSSA-N 0 0 375.332 2.736 10 0 GFAERN C[C@@H](CN1CCCC1=O)N[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186125528 552379769 /nfs/dbraw/zinc/37/97/69/552379769.db2.gz NLESGJBDIRHUCY-UGSOOPFHSA-N 0 0 389.297 2.929 10 0 GFAERN C[C@H](CN1CCCC1=O)N[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186125586 552380011 /nfs/dbraw/zinc/38/00/11/552380011.db2.gz NLESGJBDIRHUCY-FZKQIMNGSA-N 0 0 389.297 2.929 10 0 GFAERN CCC(=O)N1CC[C@H](N[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186252058 552382937 /nfs/dbraw/zinc/38/29/37/552382937.db2.gz GNLQGJJWODMZPI-WMZOPIPTSA-N 0 0 389.297 2.929 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC000186617906 552392361 /nfs/dbraw/zinc/39/23/61/552392361.db2.gz OSHDNSCELKRCLA-SECBINFHSA-N 0 0 376.722 2.659 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000186632510 552393144 /nfs/dbraw/zinc/39/31/44/552393144.db2.gz LNSIGYWTQQJMCT-UHFFFAOYSA-N 0 0 397.313 2.779 10 0 GFAERN Cc1ccc(CC(=O)N2CCCN(c3cccnn3)CC2)cc1Br ZINC000187455965 552416039 /nfs/dbraw/zinc/41/60/39/552416039.db2.gz CKPMBVCIXXOKDH-UHFFFAOYSA-N 0 0 389.297 2.829 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cc(C)c(Br)s1 ZINC000188193236 552438541 /nfs/dbraw/zinc/43/85/41/552438541.db2.gz ZHZIMEFMXWQJBW-GFCCVEGCSA-N 0 0 382.301 2.535 10 0 GFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000188199325 552438785 /nfs/dbraw/zinc/43/87/85/552438785.db2.gz WNSTUCUABNHLQG-VHSXEESVSA-N 0 0 377.875 2.552 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)Nc3cccc(Br)n3)CC2)s1 ZINC000188496208 552446480 /nfs/dbraw/zinc/44/64/80/552446480.db2.gz PGWSOHWAVHGOSK-UHFFFAOYSA-N 0 0 396.314 2.959 10 0 GFAERN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188552179 552447507 /nfs/dbraw/zinc/44/75/07/552447507.db2.gz WFEMOJIIXQHQCP-NSHDSACASA-N 0 0 397.288 2.894 10 0 GFAERN C[C@@H](NC(=O)c1cc(Br)ncc1Cl)c1nnc2n1CCCC2 ZINC000188934372 552458913 /nfs/dbraw/zinc/45/89/13/552458913.db2.gz XQNLVPIZIJUMGA-MRVPVSSYSA-N 0 0 384.665 2.916 10 0 GFAERN CCO[C@@H]1C[C@H](NC(=O)c2nc(Br)cs2)C12CCOCC2 ZINC000189010300 552460515 /nfs/dbraw/zinc/46/05/15/552460515.db2.gz RQFYHGCWPCNORP-VHSXEESVSA-N 0 0 375.288 2.610 10 0 GFAERN Cc1noc([C@H]2COCCN2CCOc2cc(F)cc(Br)c2)n1 ZINC000189378728 552470296 /nfs/dbraw/zinc/47/02/96/552470296.db2.gz LIOXGVYDSBBGQM-CQSZACIVSA-N 0 0 386.221 2.732 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Nc3ccc(Br)c(C)n3)CCO2)cn1 ZINC000190340608 552493457 /nfs/dbraw/zinc/49/34/57/552493457.db2.gz XCFZCWQCECOCOJ-CQSZACIVSA-N 0 0 394.273 2.974 10 0 GFAERN CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1)CC2 ZINC000190577242 552501700 /nfs/dbraw/zinc/50/17/00/552501700.db2.gz BJOISCLRLBEQCN-BDJLRTHQSA-N 0 0 383.279 2.966 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000190732549 552507634 /nfs/dbraw/zinc/50/76/34/552507634.db2.gz QNPYHIQLXPVCQA-BMLIUANNSA-N 0 0 387.263 2.666 10 0 GFAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000190968124 552515089 /nfs/dbraw/zinc/51/50/89/552515089.db2.gz JHJDTOSWQNPKJL-BBRMVZONSA-N 0 0 395.297 2.549 10 0 GFAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C(C)C ZINC000191422729 552528083 /nfs/dbraw/zinc/52/80/83/552528083.db2.gz RIEQKXKWNRPGTG-MRXNPFEDSA-N 0 0 388.917 2.869 10 0 GFAERN CCOCCN1CCN(C(=O)c2cc(Br)c(F)cc2F)C[C@@H]1C ZINC000192122798 552551883 /nfs/dbraw/zinc/55/18/83/552551883.db2.gz VCVVWCSCQQNSPI-NSHDSACASA-N 0 0 391.256 2.910 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Br)c1 ZINC000192863776 552976671 /nfs/dbraw/zinc/97/66/71/552976671.db2.gz SDDOFAGQZBCESH-SECBINFHSA-N 0 0 396.266 2.658 10 0 GFAERN Cc1ncc(CN2CCN(C(=O)c3csc(C(F)(F)F)n3)CC2)s1 ZINC000193219394 552986878 /nfs/dbraw/zinc/98/68/78/552986878.db2.gz QOMBKXNNDWYTQD-UHFFFAOYSA-N 0 0 376.429 2.885 10 0 GFAERN CCCCOC[C@@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000193371539 552991843 /nfs/dbraw/zinc/99/18/43/552991843.db2.gz YVBCQVHUKZRUEW-HNNXBMFYSA-N 0 0 389.323 2.929 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3ccoc3Br)CC2)n1 ZINC000193577560 552997822 /nfs/dbraw/zinc/99/78/22/552997822.db2.gz QJGALYCPLAZYBJ-JTQLQIEISA-N 0 0 383.246 2.507 10 0 GFAERN CC(C)(C)n1cc(CN2CCN(C(=O)c3ccoc3Br)CC2)cn1 ZINC000193584242 552997840 /nfs/dbraw/zinc/99/78/40/552997840.db2.gz KZYDWJKTZPOXCH-UHFFFAOYSA-N 0 0 395.301 2.952 10 0 GFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3cccc4cccnc43)CCO2)n1 ZINC000193945832 553007724 /nfs/dbraw/zinc/00/77/24/553007724.db2.gz KIYOXZMPTCEPJI-AWEZNQCLSA-N 0 0 375.475 2.762 10 0 GFAERN CCC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000193953172 553007816 /nfs/dbraw/zinc/00/78/16/553007816.db2.gz AYTSQPXNRJKTQJ-MRXNPFEDSA-N 0 0 380.491 2.806 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1csc2ccccc12 ZINC000194023470 553009978 /nfs/dbraw/zinc/00/99/78/553009978.db2.gz PQCFQDDOJJNZNJ-INIZCTEOSA-N 0 0 380.535 2.764 10 0 GFAERN Cc1csc([C@H]2CN(C(=O)NCCOc3ccc(Cl)cn3)CCO2)n1 ZINC000194323956 553017699 /nfs/dbraw/zinc/01/76/99/553017699.db2.gz ZZJXGYMUZBAIIM-CYBMUJFWSA-N 0 0 382.873 2.662 10 0 GFAERN C[C@H](NC(=O)CCN1CCCS1(=O)=O)c1c(Cl)ccc(F)c1Cl ZINC000194373999 553019437 /nfs/dbraw/zinc/01/94/37/553019437.db2.gz QYNKHVPVRYNLJO-VIFPVBQESA-N 0 0 383.272 2.735 10 0 GFAERN CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)no1 ZINC000194787726 553030049 /nfs/dbraw/zinc/03/00/49/553030049.db2.gz YFHRBWSZOJBRHX-NSHDSACASA-N 0 0 379.467 2.724 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)COc1cccc(Br)c1)CC2 ZINC000195261873 553043121 /nfs/dbraw/zinc/04/31/21/553043121.db2.gz KNYGWTOWCLVONN-CYBMUJFWSA-N 0 0 393.285 2.674 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000195272729 553043220 /nfs/dbraw/zinc/04/32/20/553043220.db2.gz HFPZSHGPQGVBBV-AWEZNQCLSA-N 0 0 375.222 2.946 10 0 GFAERN O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195320085 553045156 /nfs/dbraw/zinc/04/51/56/553045156.db2.gz ZCIRPLXPZDPVOY-GFCCVEGCSA-N 0 0 377.897 2.591 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1cccc(Br)c1)CC2 ZINC000195348574 553046268 /nfs/dbraw/zinc/04/62/68/553046268.db2.gz ZAVQWQONXALSFE-AWEZNQCLSA-N 0 0 377.286 2.838 10 0 GFAERN CC(C)n1nnnc1CS(=O)(=O)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000195426700 553048471 /nfs/dbraw/zinc/04/84/71/553048471.db2.gz LSWDDAZSYHEBLT-JTQLQIEISA-N 0 0 378.376 2.829 10 0 GFAERN O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](CCO)C1 ZINC000230186454 553064805 /nfs/dbraw/zinc/06/48/05/553064805.db2.gz SBVARKRHUJHUBB-SECBINFHSA-N 0 0 379.625 2.789 10 0 GFAERN Cc1nc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)sc1Br ZINC000245531359 553092301 /nfs/dbraw/zinc/09/23/01/553092301.db2.gz HCPSHMUJROMZAK-GWCFXTLKSA-N 0 0 395.344 2.530 10 0 GFAERN C[C@H](NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)c1c(Cl)ccc(F)c1Cl ZINC000246335335 553106326 /nfs/dbraw/zinc/10/63/26/553106326.db2.gz DWBVSTXCQDWJKG-LAEOZQHASA-N 0 0 378.231 2.526 10 0 GFAERN Cc1cc(OC[C@@H](O)CN2CCS(=O)(=O)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000247348148 553121525 /nfs/dbraw/zinc/12/15/25/553121525.db2.gz LCKZESVKESKBHQ-GJZGRUSLSA-N 0 0 389.945 2.630 10 0 GFAERN NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249582803 553144897 /nfs/dbraw/zinc/14/48/97/553144897.db2.gz RVEHOEALPGDRDP-BPUTZDHNSA-N 0 0 395.322 2.745 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2csc(Br)c2)C1 ZINC000262704571 553174029 /nfs/dbraw/zinc/17/40/29/553174029.db2.gz IZNWKMCUIRYHLU-UHFFFAOYSA-N 0 0 387.299 2.568 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000262918104 553179007 /nfs/dbraw/zinc/17/90/07/553179007.db2.gz DNSWHAWTQYYQFO-NSHDSACASA-N 0 0 395.308 2.553 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000263462749 553187923 /nfs/dbraw/zinc/18/79/23/553187923.db2.gz WAEFURBYKAPXKZ-UHFFFAOYSA-N 0 0 389.677 2.770 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Nc2cccc(Br)c2)C1 ZINC000263502698 553188699 /nfs/dbraw/zinc/18/86/99/553188699.db2.gz UIWITLIVAKHLPG-UHFFFAOYSA-N 0 0 396.285 2.898 10 0 GFAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000370213258 563237417 /nfs/dbraw/zinc/23/74/17/563237417.db2.gz SZBHWOOPHPRFSQ-OLZOCXBDSA-N 0 0 396.285 2.629 10 0 GFAERN CCc1cc(=O)n2nc(NCCOc3ccc(Br)cc3)sc2n1 ZINC000301108704 563392778 /nfs/dbraw/zinc/39/27/78/563392778.db2.gz QWKLSGUKUUVIPF-UHFFFAOYSA-N 0 0 395.282 2.967 10 0 GFAERN CNS(=O)(=O)c1ccc(N[C@H]2CCOc3ccc(Br)cc32)nc1 ZINC000301255999 563397854 /nfs/dbraw/zinc/39/78/54/563397854.db2.gz QZMXZVJXYXWOML-ZDUSSCGKSA-N 0 0 398.282 2.688 10 0 GFAERN Cn1ncc(N2CCC[C@H](COc3ccccc3)C2)c(Br)c1=O ZINC000301285344 563399293 /nfs/dbraw/zinc/39/92/93/563399293.db2.gz MJYSUFULSPNLAV-ZDUSSCGKSA-N 0 0 378.270 2.838 10 0 GFAERN Cn1ncnc1CNc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl ZINC000301432264 563403916 /nfs/dbraw/zinc/40/39/16/563403916.db2.gz JFEJGBFCWHTJJQ-UHFFFAOYSA-N 0 0 385.642 2.933 10 0 GFAERN CNc1nc(N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)ncc1Br ZINC000302682625 563428503 /nfs/dbraw/zinc/42/85/03/563428503.db2.gz AHLJPCIIUAQHHM-AWEZNQCLSA-N 0 0 390.285 2.802 10 0 GFAERN CNc1c(N)cnc2c(I)ccc(Br)c21 ZINC000584882547 565103106 /nfs/dbraw/zinc/10/31/06/565103106.db2.gz KFSOCQMTPVSAHD-UHFFFAOYSA-N 0 0 378.011 2.648 10 0 GFAERN CCO[C@@]1(C(=O)Nc2ccc(I)cc2F)CCOC1 ZINC000598065612 565591946 /nfs/dbraw/zinc/59/19/46/565591946.db2.gz BQLHNNKYCFUZOB-ZDUSSCGKSA-N 0 0 379.169 2.564 10 0 GFAERN C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(=O)n3c4c(cccc14)CCC3)C2 ZINC000220418916 570386453 /nfs/dbraw/zinc/38/64/53/570386453.db2.gz QJUPUIWZMBKHOP-OAHLLOKOSA-N 0 0 378.476 2.603 10 0 GFAERN CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000005580231 570447205 /nfs/dbraw/zinc/44/72/05/570447205.db2.gz MYPSVWWEKROPAO-GFCCVEGCSA-N 0 0 387.490 2.985 10 0 GFAERN CCCNC(=O)[C@@H](NC(=O)CC(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036347011 570627988 /nfs/dbraw/zinc/62/79/88/570627988.db2.gz QBCUBSKEBQTINM-FQEVSTJZSA-N 0 0 387.524 2.596 10 0 GFAERN C[C@@H](NC(=O)Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O)c1ccccn1 ZINC000096385818 570641583 /nfs/dbraw/zinc/64/15/83/570641583.db2.gz OSJPFGNSXXKWCJ-CQSZACIVSA-N 0 0 391.406 2.599 10 0 GFAERN Cc1ncsc1-c1nc(C[S@@](=O)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)no1 ZINC000156186215 570692253 /nfs/dbraw/zinc/69/22/53/570692253.db2.gz HOPPWUMQQYGHPY-CIIDGOTNSA-N 0 0 396.538 2.691 10 0 GFAERN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000026991260 654561777 /nfs/dbraw/zinc/56/17/77/654561777.db2.gz KYVFDONMJYCLJG-STQMWFEESA-N 0 0 388.917 2.618 10 0 GFAERN CN(Cc1cc(Br)ccc1F)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000122697515 654742774 /nfs/dbraw/zinc/74/27/74/654742774.db2.gz SHWUZUMNVRFPKZ-KBPBESRZSA-N 0 0 381.245 2.929 10 0 GFAERN O=C(c1ccsc1)N1CCCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000055286237 654772649 /nfs/dbraw/zinc/77/26/49/654772649.db2.gz HTFCEAPRWSIITE-ZSOIEALJSA-N 0 0 376.503 2.897 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1csc(Br)c1 ZINC000058658489 654821284 /nfs/dbraw/zinc/82/12/84/654821284.db2.gz JTUZIWVLEMQLSE-NSHDSACASA-N 0 0 396.328 2.758 10 0 GFAERN CCCOc1ccc(Br)cc1CN1CCS(=O)(=O)[C@H](C)C1 ZINC000127854090 654835864 /nfs/dbraw/zinc/83/58/64/654835864.db2.gz ILBQVZGFTLERTG-GFCCVEGCSA-N 0 0 376.316 2.857 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C)ccc1Br ZINC000129066829 654855549 /nfs/dbraw/zinc/85/55/49/654855549.db2.gz SHIJZBYWXKLSCQ-CYBMUJFWSA-N 0 0 379.258 2.760 10 0 GFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000132724915 654946713 /nfs/dbraw/zinc/94/67/13/654946713.db2.gz BAAMPZPCGKOTQW-HNNXBMFYSA-N 0 0 380.853 2.780 10 0 GFAERN CC(=O)N[C@H]1CCCN(Cn2nc(C)n(CCc3cccs3)c2=S)C1 ZINC000068872397 654969225 /nfs/dbraw/zinc/96/92/25/654969225.db2.gz TWYBXYVUXRJHHG-HNNXBMFYSA-N 0 0 379.555 2.585 10 0 GFAERN CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000071017294 654998332 /nfs/dbraw/zinc/99/83/32/654998332.db2.gz SMUBHKFYXICVCM-JTQLQIEISA-N 0 0 379.869 2.967 10 0 GFAERN CC(C)[C@H](NC(=O)NCc1ccc(Br)cc1C(F)(F)F)C(N)=O ZINC000135530709 655019539 /nfs/dbraw/zinc/01/95/39/655019539.db2.gz XTLUIMXPPLIFBM-NSHDSACASA-N 0 0 396.207 2.777 10 0 GFAERN CCS(=O)(=O)CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000094033469 655026277 /nfs/dbraw/zinc/02/62/77/655026277.db2.gz SHUKDSZOCRESCU-AWEZNQCLSA-N 0 0 378.416 2.890 10 0 GFAERN O=C(Nc1nnc(CCN2CCOCC2)s1)c1ccc(Cl)cc1Cl ZINC000095116121 655029081 /nfs/dbraw/zinc/02/90/81/655029081.db2.gz NZQILEZNHSCIBQ-UHFFFAOYSA-N 0 0 387.292 2.972 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(Cn3nc(C)c(Br)c3C)C2)n1 ZINC000152732328 655061345 /nfs/dbraw/zinc/06/13/45/655061345.db2.gz ZVLMYWLGFDIAMZ-HNNXBMFYSA-N 0 0 381.322 2.840 10 0 GFAERN CC(C)[C@@H](C(=O)Oc1ccc(F)cc1Br)N1CCCS1(=O)=O ZINC000155577934 655085642 /nfs/dbraw/zinc/08/56/42/655085642.db2.gz GKJHEGCMRYNPFM-ZDUSSCGKSA-N 0 0 394.262 2.554 10 0 GFAERN C[C@@H](OC(=O)CCSc1nnnn1C)c1ccc(Br)cc1F ZINC000156755167 655095550 /nfs/dbraw/zinc/09/55/50/655095550.db2.gz JRCVGPYDFVUXID-MRVPVSSYSA-N 0 0 389.250 2.898 10 0 GFAERN Cc1ccc(N2CCCN(C[C@H](O)c3cccc(Br)c3)CC2)nn1 ZINC000106073478 655102016 /nfs/dbraw/zinc/10/20/16/655102016.db2.gz HBLVKHPECYUDJL-KRWDZBQOSA-N 0 0 391.313 2.793 10 0 GFAERN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000106194005 655104711 /nfs/dbraw/zinc/10/47/11/655104711.db2.gz CRNWTJKGWGXXTP-JSGCOSHPSA-N 0 0 383.279 2.918 10 0 GFAERN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000106190904 655104745 /nfs/dbraw/zinc/10/47/45/655104745.db2.gz NQKVRMKRNJDNMG-JSGCOSHPSA-N 0 0 383.279 2.918 10 0 GFAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000106367938 655107513 /nfs/dbraw/zinc/10/75/13/655107513.db2.gz VVDDEQWNQCFHCR-GFCCVEGCSA-N 0 0 399.314 2.629 10 0 GFAERN O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)[C@@H]1CNC(=O)C1 ZINC000107020645 655116772 /nfs/dbraw/zinc/11/67/72/655116772.db2.gz DPDXZSPYHKWUCR-UPONEAKYSA-N 0 0 384.123 2.871 10 0 GFAERN CCOc1ccnc(N2CCN(C(=O)CCc3ccc(Cl)s3)CC2)n1 ZINC000107252824 655119214 /nfs/dbraw/zinc/11/92/14/655119214.db2.gz MEUYDELUCCSJJI-UHFFFAOYSA-N 0 0 380.901 2.872 10 0 GFAERN COC(=O)N[C@@H](C(=O)N1CCO[C@H](c2ccccc2Br)C1)C(C)C ZINC000108264588 655130473 /nfs/dbraw/zinc/13/04/73/655130473.db2.gz FJLBGDKYYOUKPF-LSDHHAIUSA-N 0 0 399.285 2.730 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1ccc[nH]c1=O)c1cccc(Br)c1 ZINC000108811041 655138112 /nfs/dbraw/zinc/13/81/12/655138112.db2.gz RPZZTEANYFKYMH-ZDUSSCGKSA-N 0 0 379.210 2.584 10 0 GFAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000171097614 655148616 /nfs/dbraw/zinc/14/86/16/655148616.db2.gz BKMMWRYJYZWYOF-MARXPDLDSA-N 0 0 388.283 2.777 10 0 GFAERN CCn1cc(CN2CCCN(C(=O)c3coc(Br)c3)CC2)cn1 ZINC000109661759 655150218 /nfs/dbraw/zinc/15/02/18/655150218.db2.gz ADYXEGFGETXUDM-UHFFFAOYSA-N 0 0 381.274 2.607 10 0 GFAERN C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CCS1 ZINC000171582848 655152664 /nfs/dbraw/zinc/15/26/64/655152664.db2.gz NQKZUAUSBRSCLP-LLVKDONJSA-N 0 0 390.958 2.994 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cc(F)ccc3Br)CC2)no1 ZINC000109922733 655153985 /nfs/dbraw/zinc/15/39/85/655153985.db2.gz JSIZILZYKLLEQI-UHFFFAOYSA-N 0 0 397.248 2.628 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cccc(Br)c3)CCO2)n1 ZINC000110899319 655161428 /nfs/dbraw/zinc/16/14/28/655161428.db2.gz VFKHQUWBMXCPLF-MRXNPFEDSA-N 0 0 378.270 2.804 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(Br)cc3F)CCO2)n1 ZINC000110899081 655161446 /nfs/dbraw/zinc/16/14/46/655161446.db2.gz BOZBFHCPVDBAAM-CQSZACIVSA-N 0 0 396.260 2.943 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccccc3Br)CCO2)n1 ZINC000110900035 655161450 /nfs/dbraw/zinc/16/14/50/655161450.db2.gz SKGQPQQPRHILFK-CQSZACIVSA-N 0 0 378.270 2.804 10 0 GFAERN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083335 655164191 /nfs/dbraw/zinc/16/41/91/655164191.db2.gz PWAIMXKZAGZFLT-YESZJQIVSA-N 0 0 390.281 2.677 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC000173281986 655167153 /nfs/dbraw/zinc/16/71/53/655167153.db2.gz JUOJVNJVUVGXKX-GFCCVEGCSA-N 0 0 380.495 2.510 10 0 GFAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000112654598 655194502 /nfs/dbraw/zinc/19/45/02/655194502.db2.gz MIPBMZKEPWEAMH-SNVBAGLBSA-N 0 0 377.235 2.515 10 0 GFAERN CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000174336546 655199827 /nfs/dbraw/zinc/19/98/27/655199827.db2.gz PCFJLUQXWASKKW-MRXNPFEDSA-N 0 0 397.313 2.783 10 0 GFAERN CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000174336531 655199834 /nfs/dbraw/zinc/19/98/34/655199834.db2.gz PCFJLUQXWASKKW-INIZCTEOSA-N 0 0 397.313 2.783 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C[C@H]1C ZINC000174337175 655199869 /nfs/dbraw/zinc/19/98/69/655199869.db2.gz WSFFQAZSEVCJNA-HUUCEWRRSA-N 0 0 395.341 2.784 10 0 GFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000174564567 655203693 /nfs/dbraw/zinc/20/36/93/655203693.db2.gz QPCOTPIKJZZHPF-SSDOTTSWSA-N 0 0 396.175 2.669 10 0 GFAERN COc1ccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1Br ZINC000174572474 655203800 /nfs/dbraw/zinc/20/38/00/655203800.db2.gz HYLVVXNMCAEALF-CYBMUJFWSA-N 0 0 394.273 2.596 10 0 GFAERN Cc1ccc([C@H](CNC(=O)N(C)Cc2cscn2)N2CCOCC2)s1 ZINC000174999755 655212265 /nfs/dbraw/zinc/21/22/65/655212265.db2.gz KVWLTTGUSMJKFP-HNNXBMFYSA-N 0 0 380.539 2.728 10 0 GFAERN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000175709925 655225475 /nfs/dbraw/zinc/22/54/75/655225475.db2.gz AHHCJOMKZWSLTP-FZMZJTMJSA-N 0 0 391.269 2.901 10 0 GFAERN COc1cc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)ccc1Br ZINC000175980716 655231136 /nfs/dbraw/zinc/23/11/36/655231136.db2.gz DUMGEOFITVUPPF-CYBMUJFWSA-N 0 0 391.221 2.646 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccccc1Br)CC2 ZINC000114978336 655231230 /nfs/dbraw/zinc/23/12/30/655231230.db2.gz NXYPMCWESSMOKH-CYBMUJFWSA-N 0 0 392.301 2.759 10 0 GFAERN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccs1)c1nc2ccccc2[nH]1 ZINC000176120181 655235431 /nfs/dbraw/zinc/23/54/31/655235431.db2.gz ADXNGYIDBJMWNH-WDEREUQCSA-N 0 0 379.463 2.596 10 0 GFAERN COc1cccc(-c2nc(C[S@](=O)Cc3nnnn3C(C)C)cs2)c1 ZINC000176501517 655247904 /nfs/dbraw/zinc/24/79/04/655247904.db2.gz UPBNASFQVNHQKD-VWLOTQADSA-N 0 0 377.495 2.835 10 0 GFAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(Br)cc1Cl ZINC000176749277 655254903 /nfs/dbraw/zinc/25/49/03/655254903.db2.gz GXNRDMBYWWWZGM-SNVBAGLBSA-N 0 0 391.678 2.507 10 0 GFAERN CCOCCN1CCN(C(=O)CCc2ccccc2Br)C[C@@H]1C ZINC000117276027 655262922 /nfs/dbraw/zinc/26/29/22/655262922.db2.gz KQQGLUJUUBCTSB-HNNXBMFYSA-N 0 0 383.330 2.951 10 0 GFAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000117521871 655265546 /nfs/dbraw/zinc/26/55/46/655265546.db2.gz CDZMZNOTLUFRDH-GFCCVEGCSA-N 0 0 388.295 2.501 10 0 GFAERN O=C(CSC[C@H](O)CO)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000177419506 655276261 /nfs/dbraw/zinc/27/62/61/655276261.db2.gz PXUXGRCIRKACHI-YPMHNXCESA-N 0 0 382.532 2.574 10 0 GFAERN O=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118672042 655280520 /nfs/dbraw/zinc/28/05/20/655280520.db2.gz MMDBTFJOUUVJHE-ZDUSSCGKSA-N 0 0 381.263 2.947 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1sccc1Br ZINC000177586104 655282623 /nfs/dbraw/zinc/28/26/23/655282623.db2.gz CDDAMFJLJQSMSI-MRVPVSSYSA-N 0 0 384.317 2.861 10 0 GFAERN COc1cc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1Br ZINC000177888862 655290263 /nfs/dbraw/zinc/29/02/63/655290263.db2.gz BNYXOEIIPILFCS-DOMZBBRYSA-N 0 0 398.301 2.642 10 0 GFAERN C[C@H](OC(=O)Cc1nc2ncccn2n1)c1ccc(Br)cc1F ZINC000177969220 655293382 /nfs/dbraw/zinc/29/33/82/655293382.db2.gz RNRZZYUXYMJRSV-VIFPVBQESA-N 0 0 379.189 2.873 10 0 GFAERN Cc1cc(Br)ccc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000119895825 655320289 /nfs/dbraw/zinc/32/02/89/655320289.db2.gz QUROQCUHHRZHTB-LLVKDONJSA-N 0 0 397.294 2.896 10 0 GFAERN COC(=O)C[C@H](NC(=O)c1ccc(OC)c(Br)n1)c1ccccc1 ZINC000180642113 655329022 /nfs/dbraw/zinc/32/90/22/655329022.db2.gz RHILOYYTBAGIKH-ZDUSSCGKSA-N 0 0 393.237 2.887 10 0 GFAERN C[C@H](C(=O)N(C)CC(=O)N[C@@H](C)c1ccccc1Br)n1cccn1 ZINC000120171548 655330120 /nfs/dbraw/zinc/33/01/20/655330120.db2.gz NNROKHGZBGIZMR-QWHCGFSZSA-N 0 0 393.285 2.542 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000182440899 655344147 /nfs/dbraw/zinc/34/41/47/655344147.db2.gz GQYWPHUSBGKHHQ-ZDUSSCGKSA-N 0 0 385.306 2.727 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(Cn3nc(C(F)(F)F)sc3=S)CCO2)n1 ZINC000188682156 655381449 /nfs/dbraw/zinc/38/14/49/655381449.db2.gz ZXHBPGRUPQXSLM-LLVKDONJSA-N 0 0 393.460 2.865 10 0 GFAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)/C=C/c3ccc(Cl)cc3)O2)n1 ZINC000328615801 655386842 /nfs/dbraw/zinc/38/68/42/655386842.db2.gz ZKGYMQFTNJHUNI-PQAPVRDISA-N 0 0 383.857 2.842 10 0 GFAERN C[C@H](NC(=O)N[C@@H](C)c1ccccc1Br)c1nnnn1C1CC1 ZINC000190467058 655392309 /nfs/dbraw/zinc/39/23/09/655392309.db2.gz SRXBUFHCGIGFJF-UWVGGRQHSA-N 0 0 379.262 2.892 10 0 GFAERN C[C@H]1OCCC[C@H]1C(=O)Oc1cc([N+](=O)[O-])ccc1I ZINC000192301331 655404397 /nfs/dbraw/zinc/40/43/97/655404397.db2.gz YOMZQLJMSPPOSP-PSASIEDQSA-N 0 0 391.161 2.920 10 0 GFAERN C[C@H](CCNS(=O)(=O)c1ccc(F)c(F)c1F)NC(=O)OC(C)(C)C ZINC000195144013 655419148 /nfs/dbraw/zinc/41/91/48/655419148.db2.gz QESAPOWUKALYGZ-SECBINFHSA-N 0 0 382.404 2.686 10 0 GFAERN Cc1csc([C@@H]2CN(Cn3nc4nc(C)cc(C)n4c3=S)CCO2)n1 ZINC000195295742 655419968 /nfs/dbraw/zinc/41/99/68/655419968.db2.gz ZBRDVMLYAHDVKL-ZDUSSCGKSA-N 0 0 376.511 2.673 10 0 GFAERN O=C1C(=O)N(CN2CC[C@@]3(O)CCCC[C@H]3C2)c2ccc(Br)cc21 ZINC000247093932 655431194 /nfs/dbraw/zinc/43/11/94/655431194.db2.gz PONHKBJFSQMIQM-SGTLLEGYSA-N 0 0 393.281 2.563 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)/C=C\c2cccc(Br)c2)C1 ZINC000255062884 655436733 /nfs/dbraw/zinc/43/67/33/655436733.db2.gz QDRUYYJVFAWOLV-FNOHHLHBSA-N 0 0 388.283 2.635 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2c(F)ccc(C)c2Br)C1 ZINC000263474873 655452075 /nfs/dbraw/zinc/45/20/75/655452075.db2.gz YYSFRRCPHVHQDK-UHFFFAOYSA-N 0 0 387.249 2.564 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000702795041 655521842 /nfs/dbraw/zinc/52/18/42/655521842.db2.gz KTXRAQNBUBJNFY-FXOGGVSJSA-N 0 0 386.901 2.759 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000702796538 655521913 /nfs/dbraw/zinc/52/19/13/655521913.db2.gz SODLTYQNYDVIKE-SMDDNHRTSA-N 0 0 389.279 2.951 10 0 GFAERN C[C@@H](NC(=O)c1cc(Br)cc(Br)c1)c1cn(C)nn1 ZINC000720614750 655524482 /nfs/dbraw/zinc/52/44/82/655524482.db2.gz OLUSIBJACOQLLX-SSDOTTSWSA-N 0 0 388.063 2.831 10 0 GFAERN NS(=O)(=O)c1ccc(SCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000900086152 663708018 /nfs/dbraw/zinc/70/80/18/663708018.db2.gz ZQJPTDDUCMUHJT-WDEREUQCSA-N 0 0 396.456 2.663 10 0 GFAERN CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000033986561 212159633 /nfs/dbraw/zinc/15/96/33/212159633.db2.gz QYWSQHOSAZYAGT-ROUUACIJSA-N 0 0 390.480 2.882 10 0 GFAERN COC(=O)CCSc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1 ZINC000008528837 221043010 /nfs/dbraw/zinc/04/30/10/221043010.db2.gz UFBCADAPPCLSQH-UHFFFAOYSA-N 0 0 394.456 2.748 10 0 GFAERN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)n2)cc1 ZINC000009118946 221070244 /nfs/dbraw/zinc/07/02/44/221070244.db2.gz JDEXKFGACNTEJG-QGZVFWFLSA-N 0 0 393.447 2.673 10 0 GFAERN Cc1cc(C(=O)NC[C@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)n(C)n1 ZINC000011815820 221128510 /nfs/dbraw/zinc/12/85/10/221128510.db2.gz LJKMFCATDCLRGL-QGZVFWFLSA-N 0 0 377.448 2.536 10 0 GFAERN C[C@H]1CN(CC(=O)NCCSc2nccn2C)Cc2cc(Cl)ccc2O1 ZINC000011970334 221140792 /nfs/dbraw/zinc/14/07/92/221140792.db2.gz UDEKNQIGUNOGPF-ZDUSSCGKSA-N 0 0 394.928 2.565 10 0 GFAERN CC1(C)CS(=O)(=O)N(c2cc(C(=O)NCc3ccco3)ccc2Cl)C1=O ZINC000012004092 221141892 /nfs/dbraw/zinc/14/18/92/221141892.db2.gz ZRSXJSBERWDZLW-UHFFFAOYSA-N 0 0 396.852 2.566 10 0 GFAERN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)C1=O ZINC000012021428 221143970 /nfs/dbraw/zinc/14/39/70/221143970.db2.gz BIRHPOZLQISNCF-JTQLQIEISA-N 0 0 380.372 2.530 10 0 GFAERN CCOC(=O)N1CCC(NC(=O)c2cc(Cc3cccc(OC)c3)no2)CC1 ZINC000011910781 221136052 /nfs/dbraw/zinc/13/60/52/221136052.db2.gz ZGFGCKGRNLIPQM-UHFFFAOYSA-N 0 0 387.436 2.625 10 0 GFAERN O=C([C@@H]1CCC(=O)N(C2CC2)C1)N1CCCN(c2nc3ccccc3s2)CC1 ZINC000012759963 221226547 /nfs/dbraw/zinc/22/65/47/221226547.db2.gz GTCVIVJXLYWLLJ-OAHLLOKOSA-N 0 0 398.532 2.736 10 0 GFAERN CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccc1C(F)(F)F ZINC000013636640 221278626 /nfs/dbraw/zinc/27/86/26/221278626.db2.gz HMFDAHGARJPQCQ-INIZCTEOSA-N 0 0 399.457 2.601 10 0 GFAERN CCn1nc(C(=O)NCc2ccc(OC)cc2)c2c1CCN(C(=O)C(C)(C)C)C2 ZINC000014542561 221311915 /nfs/dbraw/zinc/31/19/15/221311915.db2.gz IDBLIOLNXWNAKN-UHFFFAOYSA-N 0 0 398.507 2.772 10 0 GFAERN CN(CCc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 ZINC000014960390 221320777 /nfs/dbraw/zinc/32/07/77/221320777.db2.gz PUDSONLEXDWKGS-QFIPXVFZSA-N 0 0 393.531 2.511 10 0 GFAERN O=C(c1ccccn1)N1CCC[C@@H](COc2ccc(CN3CCOCC3)cc2)C1 ZINC000015004107 221326662 /nfs/dbraw/zinc/32/66/62/221326662.db2.gz RBCLJRYNYJYJCZ-HXUWFJFHSA-N 0 0 395.503 2.845 10 0 GFAERN COc1cccc(Cn2ncc3c4sc([S@](C)=O)cc4n(C)c3c2=O)c1 ZINC000036382858 533560899 /nfs/dbraw/zinc/56/08/99/533560899.db2.gz MORBXZMIXGYQDB-AREMUKBSSA-N 0 0 387.486 2.744 10 0 in-vitro GFAERN Cc1cc(C)c2c(n1)nc(C(=O)NCC1CCCCC1)nc2N1CCOCC1 ZINC000096396789 136186922 /nfs/dbraw/zinc/18/69/22/136186922.db2.gz GGJSACGQKAUYAK-UHFFFAOYSA-N 0 0 383.496 2.788 10 0 GFAERN Cc1cc(CNC(=O)c2ccccc2C(F)(F)F)nc(N2CCOCC2)n1 ZINC000224225724 136206580 /nfs/dbraw/zinc/20/65/80/136206580.db2.gz JPDNOFCRKLZDMC-UHFFFAOYSA-N 0 0 380.370 2.570 10 0 GFAERN Cn1ccc2c1cccc2S(=O)(=O)N1CCc2[nH]nc(-c3ccco3)c2C1 ZINC000023479117 221598422 /nfs/dbraw/zinc/59/84/22/221598422.db2.gz DGKZKSLQZVTJLX-UHFFFAOYSA-N 0 0 382.445 2.908 10 0 GFAERN COc1cc(CNC(=O)c2nnc3ccc(-c4ccccc4)nn32)cc(OC)c1 ZINC000033282407 221782932 /nfs/dbraw/zinc/78/29/32/221782932.db2.gz IVOLDYJBYMAYFN-UHFFFAOYSA-N 0 0 389.415 2.739 10 0 GFAERN CCCn1c2nn(CC(=O)c3cccc(Cl)c3)c(=O)n2c2ccccc2c1=O ZINC000035480029 221826232 /nfs/dbraw/zinc/82/62/32/221826232.db2.gz YFOITXFVHDQOPR-UHFFFAOYSA-N 0 0 396.834 2.757 10 0 GFAERN COC(=O)c1ccccc1N(CC(=O)c1cc(C)ccc1C)S(C)(=O)=O ZINC000057486378 222033725 /nfs/dbraw/zinc/03/37/25/222033725.db2.gz BIMRBWPSHBAAKP-UHFFFAOYSA-N 0 0 375.446 2.739 10 0 GFAERN COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccc(SC)cc1 ZINC000065170412 222105020 /nfs/dbraw/zinc/10/50/20/222105020.db2.gz UHGAOMOUZZLLET-HXUWFJFHSA-N 0 0 384.501 2.797 10 0 GFAERN O=C(NCCc1csc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1)C1CC1 ZINC000065173555 222105754 /nfs/dbraw/zinc/10/57/54/222105754.db2.gz YEWMQIONZINHGW-MRXNPFEDSA-N 0 0 384.505 2.627 10 0 GFAERN Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NC1CCCCC1)c2=O ZINC000064970715 222091345 /nfs/dbraw/zinc/09/13/45/222091345.db2.gz RZCJIEXENOYCNN-UHFFFAOYSA-N 0 0 379.464 2.648 10 0 GFAERN O=C(Cn1c(=O)c2cc(-c3ccco3)nn2c2ncccc21)NCc1ccccc1 ZINC000065240310 222114729 /nfs/dbraw/zinc/11/47/29/222114729.db2.gz AQKNNMNJHJQJHE-UHFFFAOYSA-N 0 0 399.410 2.621 10 0 GFAERN O=C(CN1c2cc(F)ccc2C(=O)N2CCC[C@H]2C1=O)Nc1cccc(F)c1 ZINC000065306964 222121734 /nfs/dbraw/zinc/12/17/34/222121734.db2.gz BKOCKNXRVXEKIK-INIZCTEOSA-N 0 0 385.370 2.555 10 0 GFAERN O=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)[C@H](O)c1ccccc1)C2 ZINC000065366085 222125745 /nfs/dbraw/zinc/12/57/45/222125745.db2.gz AMHRMWFYVWPMIG-HXUWFJFHSA-N 0 0 390.443 2.601 10 0 GFAERN O=C(CN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1)NCc1ccccn1 ZINC000067852323 222163998 /nfs/dbraw/zinc/16/39/98/222163998.db2.gz AIJZRZPTDQTWJM-UHFFFAOYSA-N 0 0 381.867 2.800 10 0 GFAERN NS(=O)(=O)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)s1 ZINC000072412461 222257718 /nfs/dbraw/zinc/25/77/18/222257718.db2.gz JBVOGVASVCESPC-UHFFFAOYSA-N 0 0 385.474 2.946 10 0 GFAERN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000095075391 222329215 /nfs/dbraw/zinc/32/92/15/222329215.db2.gz UBWZDTYDWANOAA-PBHICJAKSA-N 0 0 376.453 2.542 10 0 GFAERN COc1ccccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000010785001 551106001 /nfs/dbraw/zinc/10/60/01/551106001.db2.gz SZAYNLASMWMLTM-AWEZNQCLSA-N 0 0 380.491 2.939 10 0 GFAERN Nc1nnc(CCNC(=O)CCCOc2ccc(Cl)cc2Cl)s1 ZINC000020201264 551115643 /nfs/dbraw/zinc/11/56/43/551115643.db2.gz FNCZFKHXROYQMO-UHFFFAOYSA-N 0 0 375.281 2.945 10 0 GFAERN CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000028490163 551124676 /nfs/dbraw/zinc/12/46/76/551124676.db2.gz QAZIQZSLNVLAFZ-STQMWFEESA-N 0 0 388.917 2.620 10 0 GFAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1c(Cl)nc2ccccn21 ZINC000045044730 551145300 /nfs/dbraw/zinc/14/53/00/551145300.db2.gz KOSSDAJFCDUOFW-LBPRGKRZSA-N 0 0 375.837 2.636 10 0 GFAERN C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000046583259 551151485 /nfs/dbraw/zinc/15/14/85/551151485.db2.gz KZBIYUHJASTKQR-LBPRGKRZSA-N 0 0 381.885 2.619 10 0 GFAERN C[C@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C[C@H](C)O1 ZINC000047805586 551153680 /nfs/dbraw/zinc/15/36/80/551153680.db2.gz ORDPQAKGAVUTJM-STQMWFEESA-N 0 0 398.301 2.927 10 0 GFAERN COc1c(Br)cc(Br)cc1CN[C@@H]1CCCNC1=O ZINC000050395086 551160684 /nfs/dbraw/zinc/16/06/84/551160684.db2.gz DDNSENPKPBOESD-LLVKDONJSA-N 0 0 392.091 2.588 10 0 GFAERN C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000056941623 551178793 /nfs/dbraw/zinc/17/87/93/551178793.db2.gz XZKASBHWQZWDBE-SNVBAGLBSA-N 0 0 385.848 2.687 10 0 GFAERN Cn1cc([C@H]2CCN(Cc3nnc(-c4ccc(Br)o4)o3)C2)cn1 ZINC000116312837 551211723 /nfs/dbraw/zinc/21/17/23/551211723.db2.gz UKTADGGBJGUTDP-JTQLQIEISA-N 0 0 378.230 2.815 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(C)cc3F)CC2)cs1 ZINC000116351440 551212943 /nfs/dbraw/zinc/21/29/43/551212943.db2.gz GIONNZJEZWFYKN-UHFFFAOYSA-N 0 0 383.514 2.796 10 0 GFAERN COCCN1CCN(C(=O)NCc2ccc(Br)cc2C)C[C@H]1C ZINC000117495412 551213800 /nfs/dbraw/zinc/21/38/00/551213800.db2.gz VVZVPMMRXXTJOR-CQSZACIVSA-N 0 0 384.318 2.620 10 0 GFAERN CC[C@@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)CCN1CCOC ZINC000117448250 551214001 /nfs/dbraw/zinc/21/40/01/551214001.db2.gz POBOBTDCLADJRX-CYBMUJFWSA-N 0 0 381.527 2.841 10 0 GFAERN C[C@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000120406544 551220838 /nfs/dbraw/zinc/22/08/38/551220838.db2.gz OOABZSIIRUHSPN-GVXVVHGQSA-N 0 0 377.268 2.600 10 0 GFAERN C[C@H]1COC[C@H](C)N1Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000120759898 551221775 /nfs/dbraw/zinc/22/17/75/551221775.db2.gz KYORCMKJLJZMRB-UWVGGRQHSA-N 0 0 375.782 2.944 10 0 GFAERN C[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1cccc(Br)c1 ZINC000121195503 551229273 /nfs/dbraw/zinc/22/92/73/551229273.db2.gz MSVNVBAFUACICF-NSHDSACASA-N 0 0 396.285 2.737 10 0 GFAERN O=C(N[C@H]1COc2ccccc21)c1ccc(Br)cc1-n1cncn1 ZINC000121445087 551234575 /nfs/dbraw/zinc/23/45/75/551234575.db2.gz MHIDEOCDNALVQU-AWEZNQCLSA-N 0 0 385.221 2.893 10 0 GFAERN COc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1I ZINC000121648693 551238826 /nfs/dbraw/zinc/23/88/26/551238826.db2.gz UHXNWBCWOFAKFP-NXEZZACHSA-N 0 0 375.206 2.549 10 0 GFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000121768858 551242423 /nfs/dbraw/zinc/24/24/23/551242423.db2.gz XOIPVPXMPWCTIM-SNVBAGLBSA-N 0 0 382.873 2.510 10 0 GFAERN O=S(=O)(c1ccccc1Br)N1CCC(Nc2cccnn2)CC1 ZINC000122227140 551295395 /nfs/dbraw/zinc/29/53/95/551295395.db2.gz IVJYWDWQOCVNAD-UHFFFAOYSA-N 0 0 397.298 2.504 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)c2c(F)cc(Br)cc2F)n1 ZINC000122741559 551301652 /nfs/dbraw/zinc/30/16/52/551301652.db2.gz UEGOBUXJMPPROT-LLVKDONJSA-N 0 0 388.168 2.632 10 0 GFAERN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000123128863 551303790 /nfs/dbraw/zinc/30/37/90/551303790.db2.gz NLHIAFFWBZXNQM-UKRRQHHQSA-N 0 0 399.304 2.700 10 0 GFAERN C[C@@H](C(=O)N1CCOC(C)(C)C1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000124590342 551315690 /nfs/dbraw/zinc/31/56/90/551315690.db2.gz VRGFOYPMYQIQRE-VIFPVBQESA-N 0 0 385.247 2.615 10 0 GFAERN O=C(CCCc1ccccc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000124895082 551319223 /nfs/dbraw/zinc/31/92/23/551319223.db2.gz IXVSUQWFZKGIHM-MRXNPFEDSA-N 0 0 392.297 2.896 10 0 GFAERN COc1cc(Br)ccc1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127741448 551344080 /nfs/dbraw/zinc/34/40/80/551344080.db2.gz QNNKMKKPVDVKOM-LBPRGKRZSA-N 0 0 379.258 2.602 10 0 GFAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128923833 551353724 /nfs/dbraw/zinc/35/37/24/551353724.db2.gz FJORVGJPJLFZRB-LLVKDONJSA-N 0 0 392.424 2.607 10 0 GFAERN CCNc1ncc(C(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)s1 ZINC000129596993 551358180 /nfs/dbraw/zinc/35/81/80/551358180.db2.gz IYIIICCPGIGTCN-CYBMUJFWSA-N 0 0 380.539 2.782 10 0 GFAERN O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130718832 551368415 /nfs/dbraw/zinc/36/84/15/551368415.db2.gz MJPSTQKWDGEPKZ-TVQRCGJNSA-N 0 0 389.677 2.708 10 0 GFAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000150885220 551403494 /nfs/dbraw/zinc/40/34/94/551403494.db2.gz RCLCMEXNVMJACC-HUUCEWRRSA-N 0 0 392.253 2.636 10 0 GFAERN Cc1cc(OC[C@H](O)CN2CCS(=O)(=O)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000151059061 551406634 /nfs/dbraw/zinc/40/66/34/551406634.db2.gz LCKZESVKESKBHQ-HUUCEWRRSA-N 0 0 389.945 2.630 10 0 GFAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(I)c(F)c1 ZINC000151122925 551407365 /nfs/dbraw/zinc/40/73/65/551407365.db2.gz SPDKYLMQKJOFKK-ZWNOBZJWSA-N 0 0 377.197 2.711 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(Br)cc1F ZINC000151269670 551410355 /nfs/dbraw/zinc/41/03/55/551410355.db2.gz JWZUYWBGQDRSAI-GFCCVEGCSA-N 0 0 397.248 2.772 10 0 GFAERN C[C@H]1CC[C@H](C(=O)Nc2cc(-c3ccc(Br)cc3)nn2CCO)O1 ZINC000151837540 551421854 /nfs/dbraw/zinc/42/18/54/551421854.db2.gz BZBWPUZMVOQIPD-XHDPSFHLSA-N 0 0 394.269 2.811 10 0 GFAERN Cc1ccc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c(Br)n1 ZINC000152493545 551434039 /nfs/dbraw/zinc/43/40/39/551434039.db2.gz IRBPXOZWALYTDS-CYBMUJFWSA-N 0 0 390.285 2.684 10 0 GFAERN COCCN1CCN(C(=O)CCCc2ccccc2Br)C[C@H]1C ZINC000152476532 551434392 /nfs/dbraw/zinc/43/43/92/551434392.db2.gz UWPHAXPWBXCSSS-OAHLLOKOSA-N 0 0 383.330 2.951 10 0 GFAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000153676000 551458222 /nfs/dbraw/zinc/45/82/22/551458222.db2.gz JXTQSUHTUDRWFU-GOSISDBHSA-N 0 0 379.503 2.836 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cc(Br)cs1 ZINC000153783841 551460520 /nfs/dbraw/zinc/46/05/20/551460520.db2.gz YTKAAIYAQFMOLO-NSHDSACASA-N 0 0 384.303 2.999 10 0 GFAERN CC(=O)N[C@H]1CCCN(Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000153822698 551461003 /nfs/dbraw/zinc/46/10/03/551461003.db2.gz FLVMLEQSFMWJLZ-AWEZNQCLSA-N 0 0 383.286 2.711 10 0 GFAERN C[C@H](NC(=O)c1cc(S(C)(=O)=O)cs1)c1cccc(-n2ccnc2)c1 ZINC000154613150 551479340 /nfs/dbraw/zinc/47/93/40/551479340.db2.gz SKHQATCSUDOFDH-LBPRGKRZSA-N 0 0 375.475 2.828 10 0 GFAERN O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCO[C@H](c2nccs2)C1 ZINC000155063427 551490088 /nfs/dbraw/zinc/49/00/88/551490088.db2.gz QISCQKLBDAPSLQ-ZDUSSCGKSA-N 0 0 376.862 2.839 10 0 GFAERN COCCN1CCN(C(=O)c2ccc(Br)c(Cl)c2)C[C@H]1C ZINC000155330600 551497587 /nfs/dbraw/zinc/49/75/87/551497587.db2.gz UIWDTRROXYGGJD-LLVKDONJSA-N 0 0 375.694 2.895 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(F)cc1Br ZINC000155365850 551498325 /nfs/dbraw/zinc/49/83/25/551498325.db2.gz ZUDYWEBPXHLCJB-LBPRGKRZSA-N 0 0 383.221 2.591 10 0 GFAERN COC(=O)[C@H](NC(=O)COc1ccccc1Br)c1ccccc1 ZINC000155395485 551499044 /nfs/dbraw/zinc/49/90/44/551499044.db2.gz DMQQVEHOXXCSMK-MRXNPFEDSA-N 0 0 378.222 2.858 10 0 GFAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000155564429 551502541 /nfs/dbraw/zinc/50/25/41/551502541.db2.gz AYQCDLMUXPRSGT-DYEKYZERSA-N 0 0 380.432 2.623 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(F)cc1I ZINC000155796116 551508210 /nfs/dbraw/zinc/50/82/10/551508210.db2.gz QCFUHZZUEZENIP-NOZJJQNGSA-N 0 0 377.197 2.711 10 0 GFAERN CN(C)C[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccccc1 ZINC000155909262 551510263 /nfs/dbraw/zinc/51/02/63/551510263.db2.gz PVHUDPGRRSCLGD-CQSZACIVSA-N 0 0 378.885 2.798 10 0 GFAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H](C)Cc3ccc(Br)cc3)CCO2)[nH]1 ZINC000156389013 551521750 /nfs/dbraw/zinc/52/17/50/551521750.db2.gz MJZBZLHFGXLBRJ-NHYWBVRUSA-N 0 0 393.285 2.654 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)c3ccc(Br)c(Cl)c3)CCO2)[nH]1 ZINC000157827704 551543350 /nfs/dbraw/zinc/54/33/50/551543350.db2.gz HEQJAFCZMNMFCI-GFCCVEGCSA-N 0 0 385.649 2.743 10 0 GFAERN O=S(=O)(c1cc(F)ccc1F)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158509358 551552716 /nfs/dbraw/zinc/55/27/16/551552716.db2.gz CIEYAHKIGARGGT-ABAIWWIYSA-N 0 0 375.343 2.740 10 0 GFAERN COc1ccc(Br)c(CC(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000159128782 551561253 /nfs/dbraw/zinc/56/12/53/551561253.db2.gz FRTCYDPCKMWTLX-AWEZNQCLSA-N 0 0 379.258 2.551 10 0 GFAERN COc1cc(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)sc1S(N)(=O)=O ZINC000162643459 551610758 /nfs/dbraw/zinc/61/07/58/551610758.db2.gz LKVPUBMPDNWPMF-GWCFXTLKSA-N 0 0 380.491 2.773 10 0 GFAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000162753441 551612000 /nfs/dbraw/zinc/61/20/00/551612000.db2.gz SRWURNVROQTQIE-NSHDSACASA-N 0 0 379.627 2.749 10 0 GFAERN C[C@@H](NC(=O)NCc1ccccc1Br)c1nnc2n1CCCC2 ZINC000165620788 551629399 /nfs/dbraw/zinc/62/93/99/551629399.db2.gz OVCIYVHPYQZXCH-LLVKDONJSA-N 0 0 378.274 2.937 10 0 GFAERN Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)c1ccccc1Br)CC2 ZINC000170756249 551639376 /nfs/dbraw/zinc/63/93/76/551639376.db2.gz FAYOSLSWMABPOF-CMPLNLGQSA-N 0 0 378.274 2.724 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1Br ZINC000171396029 551654445 /nfs/dbraw/zinc/65/44/45/551654445.db2.gz HYGPJIQOZILMTQ-OAHLLOKOSA-N 0 0 391.269 2.793 10 0 GFAERN CCC[C@H](NC(=O)N1CCS[C@@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000171439559 551655534 /nfs/dbraw/zinc/65/55/34/551655534.db2.gz IIKCJYUKSASTKM-ZFWWWQNUSA-N 0 0 381.567 2.948 10 0 GFAERN O=C(c1ccc(Br)cn1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172390165 551678631 /nfs/dbraw/zinc/67/86/31/551678631.db2.gz QPQSYYCZVZERAH-UHFFFAOYSA-N 0 0 387.237 2.948 10 0 GFAERN CCn1cc(Br)cc1C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172434081 551679114 /nfs/dbraw/zinc/67/91/14/551679114.db2.gz UXQPITCTPNTYOJ-CQSZACIVSA-N 0 0 392.301 2.802 10 0 GFAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000172559730 551681772 /nfs/dbraw/zinc/68/17/72/551681772.db2.gz KPVWFTHWPVKFCM-CVEARBPZSA-N 0 0 378.519 2.939 10 0 GFAERN COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000173002206 551692192 /nfs/dbraw/zinc/69/21/92/551692192.db2.gz LXMJRDWFORYMLM-CYBMUJFWSA-N 0 0 382.507 2.920 10 0 GFAERN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000173049375 551693744 /nfs/dbraw/zinc/69/37/44/551693744.db2.gz DGSGENSJKGVHJQ-OLZOCXBDSA-N 0 0 378.270 2.966 10 0 GFAERN COc1ccc([C@@H](C)NC(=O)c2c[nH]c(=O)c(Br)c2)cc1OC ZINC000173056637 551693882 /nfs/dbraw/zinc/69/38/82/551693882.db2.gz YHRZUNJDYRGZMS-SECBINFHSA-N 0 0 381.226 2.646 10 0 GFAERN C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000173804429 552092024 /nfs/dbraw/zinc/09/20/24/552092024.db2.gz ADBRDXMXMLYSNZ-RHSMWYFYSA-N 0 0 381.314 2.561 10 0 GFAERN Cc1nc(-c2cccs2)sc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173826512 552093144 /nfs/dbraw/zinc/09/31/44/552093144.db2.gz FENLXOJJIILXMV-OCCSQVGLSA-N 0 0 377.535 2.973 10 0 GFAERN C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H]1N1CCOCC1 ZINC000173839527 552093539 /nfs/dbraw/zinc/09/35/39/552093539.db2.gz VKRUVBDDXKABFF-PBHICJAKSA-N 0 0 393.325 2.660 10 0 GFAERN C[C@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000173843391 552093549 /nfs/dbraw/zinc/09/35/49/552093549.db2.gz QUKLTNHKKSXYBQ-YOEHRIQHSA-N 0 0 395.341 2.906 10 0 GFAERN O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@H]1Cn1ccnc1 ZINC000173836320 552093750 /nfs/dbraw/zinc/09/37/50/552093750.db2.gz GQTUYRAKJBWXMQ-NSHDSACASA-N 0 0 391.827 2.991 10 0 GFAERN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(F)cc1F ZINC000175780991 552129099 /nfs/dbraw/zinc/12/90/99/552129099.db2.gz KLXQFGWAPMIVAC-NSHDSACASA-N 0 0 389.445 2.716 10 0 GFAERN CCOC(=O)[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(Br)cc1F ZINC000176687190 552144039 /nfs/dbraw/zinc/14/40/39/552144039.db2.gz AMPZWIFLHAKKFZ-KBPBESRZSA-N 0 0 397.248 2.909 10 0 GFAERN CCn1ccnc1C[S@](=O)Cc1cc2c(cc1Br)OCCO2 ZINC000176823569 552146690 /nfs/dbraw/zinc/14/66/90/552146690.db2.gz WQHAIQCRPJBZAQ-JOCHJYFZSA-N 0 0 385.283 2.886 10 0 GFAERN Ic1ccc2ncnc(N[C@H]3CCCn4ncnc43)c2c1 ZINC000176854077 552147112 /nfs/dbraw/zinc/14/71/12/552147112.db2.gz JUVMUMDUPKYMEB-LBPRGKRZSA-N 0 0 392.204 2.773 10 0 GFAERN Cc1nc(CCNC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C ZINC000177736355 552158208 /nfs/dbraw/zinc/15/82/08/552158208.db2.gz HSACKGUKLBEYDA-GFCCVEGCSA-N 0 0 381.523 2.766 10 0 GFAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1)C(C)C ZINC000178445791 552170952 /nfs/dbraw/zinc/17/09/52/552170952.db2.gz ORXNKSNIVHICTI-IINYFYTJSA-N 0 0 388.281 2.589 10 0 GFAERN COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000178834376 552176793 /nfs/dbraw/zinc/17/67/93/552176793.db2.gz MLIYOIDIBCSAEU-CYBMUJFWSA-N 0 0 384.454 2.985 10 0 GFAERN Cn1c(CS(=O)(=O)Cc2csc(-c3cccs3)n2)nnc1C1CC1 ZINC000180045720 552211120 /nfs/dbraw/zinc/21/11/20/552211120.db2.gz PSRXAPZHFWTMNH-UHFFFAOYSA-N 0 0 380.520 2.993 10 0 GFAERN NC(=O)[C@@H]1COCCN1C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000180272442 552220120 /nfs/dbraw/zinc/22/01/20/552220120.db2.gz OTNJHZQHAHREJT-VIFPVBQESA-N 0 0 392.786 2.900 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCc1cccc(Br)c1)CC2 ZINC000181533399 552260088 /nfs/dbraw/zinc/26/00/88/552260088.db2.gz LAIPUAUXWWUMKB-CQSZACIVSA-N 0 0 392.301 2.978 10 0 GFAERN C[C@@H](N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1nc(-c2cccs2)no1 ZINC000181565774 552261285 /nfs/dbraw/zinc/26/12/85/552261285.db2.gz MGJPODKIOYHMPQ-GHMZBOCLSA-N 0 0 378.479 2.857 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1F)CC2 ZINC000181729983 552266243 /nfs/dbraw/zinc/26/62/43/552266243.db2.gz BIYFJHFZIVZENR-ZDUSSCGKSA-N 0 0 386.880 2.628 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1C ZINC000182393568 552283201 /nfs/dbraw/zinc/28/32/01/552283201.db2.gz JBMUPBLYJQFQHG-LLVKDONJSA-N 0 0 384.889 2.534 10 0 GFAERN CNc1nnc(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)s1 ZINC000183553411 552312971 /nfs/dbraw/zinc/31/29/71/552312971.db2.gz BHQGQPKIFYEJEN-LBPRGKRZSA-N 0 0 376.511 2.609 10 0 GFAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)Cc2c(Cl)cccc2Cl)n1 ZINC000183747545 552318527 /nfs/dbraw/zinc/31/85/27/552318527.db2.gz XVEWEYIKVYSBCA-ZDUSSCGKSA-N 0 0 392.264 2.588 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184193653 552328930 /nfs/dbraw/zinc/32/89/30/552328930.db2.gz STAAEVLXNZQZHD-KGXGESDWSA-N 0 0 382.873 2.503 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184630041 552340616 /nfs/dbraw/zinc/34/06/16/552340616.db2.gz FRQUOZLBXOURPH-NOZJJQNGSA-N 0 0 378.778 2.965 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000184711247 552342935 /nfs/dbraw/zinc/34/29/35/552342935.db2.gz ZTYCRZPSWJZEQK-BBRMVZONSA-N 0 0 384.318 2.608 10 0 GFAERN Cc1cnn(C[C@H]2CN(Cc3nc4cc(Br)ccc4[nH]3)CCO2)c1 ZINC000184968458 552349418 /nfs/dbraw/zinc/34/94/18/552349418.db2.gz UDPARKDXKTVOFF-CQSZACIVSA-N 0 0 390.285 2.731 10 0 GFAERN Cc1c(Br)scc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000185391884 552362010 /nfs/dbraw/zinc/36/20/10/552362010.db2.gz QUAVWAAHMPJUTJ-UHFFFAOYSA-N 0 0 397.342 2.901 10 0 GFAERN C[C@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CCS1 ZINC000185959629 552375608 /nfs/dbraw/zinc/37/56/08/552375608.db2.gz RJRHEUXHJKKXJJ-VIFPVBQESA-N 0 0 378.313 2.510 10 0 GFAERN CC(C)C(=O)NCCN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186079818 552377941 /nfs/dbraw/zinc/37/79/41/552377941.db2.gz WRXVVTCVERZCPR-INIZCTEOSA-N 0 0 377.286 2.690 10 0 GFAERN CC(C)(C)S(=O)(=O)c1ccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000186156587 552380385 /nfs/dbraw/zinc/38/03/85/552380385.db2.gz CJRISOXJVKENQO-HOCLYGCPSA-N 0 0 380.535 2.928 10 0 GFAERN CCS(=O)(=O)C[C@H](C)N[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186273393 552383397 /nfs/dbraw/zinc/38/33/97/552383397.db2.gz HNVDVSGAVPNAQI-LRDDRELGSA-N 0 0 398.326 2.741 10 0 GFAERN C[C@@H](NC(=O)c1scnc1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000186339257 552385398 /nfs/dbraw/zinc/38/53/98/552385398.db2.gz DDAJYLULTPPSRS-LLVKDONJSA-N 0 0 379.507 2.939 10 0 GFAERN COc1nc(C)c(Br)cc1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000186516382 552389649 /nfs/dbraw/zinc/38/96/49/552389649.db2.gz WVNGOYGHWSWKJS-NSHDSACASA-N 0 0 379.258 2.524 10 0 GFAERN Cc1cc(Br)c2c(c1)CN(C(=O)N[C@@H]1CCCn3ncnc31)CC2 ZINC000187026694 552404430 /nfs/dbraw/zinc/40/44/30/552404430.db2.gz JTAYAEPHDSNMMZ-OAHLLOKOSA-N 0 0 390.285 2.952 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)c2ccc(C)nc2Br)C12CCOCC2 ZINC000187146781 552407764 /nfs/dbraw/zinc/40/77/64/552407764.db2.gz NWEBCCZWMKJKGK-KBPBESRZSA-N 0 0 383.286 2.857 10 0 GFAERN Cc1ccc(Br)cc1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000188233929 552440248 /nfs/dbraw/zinc/44/02/48/552440248.db2.gz XMSLJRUFZFJJRD-MRXNPFEDSA-N 0 0 390.281 2.653 10 0 GFAERN CC(C)[C@H](NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C(N)=O ZINC000188401832 552444558 /nfs/dbraw/zinc/44/45/58/552444558.db2.gz VFXROOBQCBYEMG-WFASDCNBSA-N 0 0 387.311 2.771 10 0 GFAERN O=C(CCCc1ccc(Br)s1)N1CC(NC(=O)C2CCC2)C1 ZINC000188468636 552445543 /nfs/dbraw/zinc/44/55/43/552445543.db2.gz IIWGHBPGYJJHHZ-UHFFFAOYSA-N 0 0 385.327 2.960 10 0 GFAERN O=C(NC1CN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1)C1CCC1 ZINC000188550656 552447753 /nfs/dbraw/zinc/44/77/53/552447753.db2.gz OUBQYINYVXPFBS-HOTGVXAUSA-N 0 0 377.282 2.680 10 0 GFAERN CN(C(=O)Nc1cccc(Br)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000188573979 552448482 /nfs/dbraw/zinc/44/84/82/552448482.db2.gz MQCNHXTWOCDWLQ-LBPRGKRZSA-N 0 0 391.273 2.767 10 0 GFAERN COC(=O)C[C@H](NS(=O)(=O)c1ccco1)c1cccc(Br)c1 ZINC000188640581 552450846 /nfs/dbraw/zinc/45/08/46/552450846.db2.gz QWKIFYRXCKTNAW-LBPRGKRZSA-N 0 0 388.239 2.625 10 0 GFAERN CCO[C@H]1C[C@H](NC(=O)c2nc(Br)cs2)C12CCOCC2 ZINC000189010329 552460943 /nfs/dbraw/zinc/46/09/43/552460943.db2.gz RQFYHGCWPCNORP-UWVGGRQHSA-N 0 0 375.288 2.610 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(C)c(Br)c1 ZINC000189422346 552470865 /nfs/dbraw/zinc/47/08/65/552470865.db2.gz ZUMOOAOKZKHGNH-CQSZACIVSA-N 0 0 393.285 2.689 10 0 GFAERN CCN(CC)c1nc2sc(C(=O)N3CC(NC(=O)C4CC4)C3)cc2s1 ZINC000189428510 552471282 /nfs/dbraw/zinc/47/12/82/552471282.db2.gz XSMDFPBGYGTBNZ-UHFFFAOYSA-N 0 0 378.523 2.555 10 0 GFAERN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189485957 552473210 /nfs/dbraw/zinc/47/32/10/552473210.db2.gz QAICXBGWFZREKO-ZDUSSCGKSA-N 0 0 379.298 2.755 10 0 GFAERN CC[C@H](CNC(=O)N1CC(NC(C)=O)C1)Cc1cccc(Br)c1 ZINC000190153296 552488738 /nfs/dbraw/zinc/48/87/38/552488738.db2.gz YJPXOMIUCXGTEZ-ZDUSSCGKSA-N 0 0 382.302 2.548 10 0 GFAERN Cc1cccc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1Br ZINC000190471688 552497394 /nfs/dbraw/zinc/49/73/94/552497394.db2.gz PQLXXIQOWOQMLS-HOCLYGCPSA-N 0 0 396.329 2.620 10 0 GFAERN CC[C@@H]1CN(C(=O)c2scc(C)c2Br)CCN1C[C@@H](C)O ZINC000190998739 552516304 /nfs/dbraw/zinc/51/63/04/552516304.db2.gz KFHSXJJNKCKHKL-VXGBXAGGSA-N 0 0 375.332 2.736 10 0 GFAERN COC[C@H](C)C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191352850 552526189 /nfs/dbraw/zinc/52/61/89/552526189.db2.gz AVWYEKNBOLFIBN-LBPRGKRZSA-N 0 0 388.302 2.840 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Cc3cc(F)ccc3Br)CCO2)cn1 ZINC000191765136 552537397 /nfs/dbraw/zinc/53/73/97/552537397.db2.gz JDWCXTDZHRKWBW-MRXNPFEDSA-N 0 0 396.260 2.947 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)Cc3ccc(I)cc3)C2)cn1 ZINC000192047871 552547157 /nfs/dbraw/zinc/54/71/57/552547157.db2.gz XZWZEJWBGBOALK-CYBMUJFWSA-N 0 0 395.244 2.583 10 0 GFAERN COC(=O)c1cccc(NC(=O)NCCn2cc(C)cn2)c1Br ZINC000192424374 552563207 /nfs/dbraw/zinc/56/32/07/552563207.db2.gz HMAZSMNMJGRJBZ-UHFFFAOYSA-N 0 0 381.230 2.562 10 0 GFAERN Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1F ZINC000193017946 552980300 /nfs/dbraw/zinc/98/03/00/552980300.db2.gz XRHWHHHMKSZABF-ZWNOBZJWSA-N 0 0 387.249 2.502 10 0 GFAERN Cc1c(Br)ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1F ZINC000193091291 552983428 /nfs/dbraw/zinc/98/34/28/552983428.db2.gz AMCBCKMSAFOIJH-PWSUYJOCSA-N 0 0 387.249 2.502 10 0 GFAERN CCCCOC[C@@H](O)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000193377039 552991679 /nfs/dbraw/zinc/99/16/79/552991679.db2.gz DVLUHQXBVZGTDZ-YJBOKZPZSA-N 0 0 398.297 2.643 10 0 GFAERN C[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1c(Cl)ccc(F)c1Cl ZINC000193436433 552992723 /nfs/dbraw/zinc/99/27/23/552992723.db2.gz UCGWADJQBMJGKQ-KCJUWKMLSA-N 0 0 383.272 2.734 10 0 GFAERN O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000193449547 552993717 /nfs/dbraw/zinc/99/37/17/552993717.db2.gz RSVKUQKXQJCWAF-UKRRQHHQSA-N 0 0 395.297 2.544 10 0 GFAERN C[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000193807898 553003642 /nfs/dbraw/zinc/00/36/42/553003642.db2.gz AQZXUURJPPUMLV-SECBINFHSA-N 0 0 393.408 2.547 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cccc4cnccc43)CCO2)n1 ZINC000193943838 553007814 /nfs/dbraw/zinc/00/78/14/553007814.db2.gz OTNULOAQFCOUFQ-OAHLLOKOSA-N 0 0 375.475 2.762 10 0 GFAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000194049429 553010386 /nfs/dbraw/zinc/01/03/86/553010386.db2.gz LLCGOSUMHIEMSO-HZMBPMFUSA-N 0 0 378.416 2.553 10 0 GFAERN Cn1c(C[S@](=O)Cc2cn3cc(Br)ccc3n2)nnc1C1CC1 ZINC000194268428 553015896 /nfs/dbraw/zinc/01/58/96/553015896.db2.gz IQUSXVXRWPGUPK-HSZRJFAPSA-N 0 0 394.298 2.552 10 0 GFAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000194536758 553023797 /nfs/dbraw/zinc/02/37/97/553023797.db2.gz SZSISBUIFGAEIL-OCCSQVGLSA-N 0 0 377.242 2.625 10 0 GFAERN CCc1nnc(CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)n1C ZINC000194643666 553026585 /nfs/dbraw/zinc/02/65/85/553026585.db2.gz QTSHOAKRJCCBSB-INIZCTEOSA-N 0 0 382.251 2.652 10 0 GFAERN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1COc2ccccc21 ZINC000195010519 553035681 /nfs/dbraw/zinc/03/56/81/553035681.db2.gz UUYHZUJHWZLBBJ-ONGXEEELSA-N 0 0 395.278 2.879 10 0 GFAERN O=S(=O)(c1cc(F)c(Br)cc1F)N1CCN2CCCC[C@H]2C1 ZINC000245628107 553094283 /nfs/dbraw/zinc/09/42/83/553094283.db2.gz DGULTDPDYPOZNB-JTQLQIEISA-N 0 0 395.269 2.586 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000245904323 553099194 /nfs/dbraw/zinc/09/91/94/553099194.db2.gz BQOHUZUCKGXZBH-CZUORRHYSA-N 0 0 395.276 2.784 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1Br ZINC000246328698 553106462 /nfs/dbraw/zinc/10/64/62/553106462.db2.gz GAXSOKGBCAQOIO-DOMZBBRYSA-N 0 0 382.302 2.541 10 0 GFAERN NC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248610542 553132003 /nfs/dbraw/zinc/13/20/03/553132003.db2.gz QFHWZUYQSPWTGM-LNSITVRQSA-N 0 0 386.279 2.730 10 0 GFAERN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000248842008 553135636 /nfs/dbraw/zinc/13/56/36/553135636.db2.gz LXEILBFLGKWKBF-ZIAGYGMSSA-N 0 0 385.251 2.708 10 0 GFAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000249160218 553140333 /nfs/dbraw/zinc/14/03/33/553140333.db2.gz JBLHMWQPILSDOA-NEPJUHHUSA-N 0 0 376.507 2.505 10 0 GFAERN CCOc1ccc(Br)cc1CN(Cc1noc(CN)n1)C1CC1 ZINC000261823982 553160621 /nfs/dbraw/zinc/16/06/21/553160621.db2.gz SMKCHWXLZWHTFP-UHFFFAOYSA-N 0 0 381.274 2.854 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(Cl)ccc2Br)C1 ZINC000262760358 553175143 /nfs/dbraw/zinc/17/51/43/553175143.db2.gz ZOIBIWAGQGGOQU-UHFFFAOYSA-N 0 0 389.677 2.770 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Br)s2)CC1 ZINC000262892832 553178058 /nfs/dbraw/zinc/17/80/58/553178058.db2.gz HAKFHCWSERPGTK-SNVBAGLBSA-N 0 0 375.288 2.522 10 0 GFAERN C[C@H](Cc1cccs1)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000301487443 563405198 /nfs/dbraw/zinc/40/51/98/563405198.db2.gz IOLGZYDNGKHMCQ-GFCCVEGCSA-N 0 0 387.548 2.623 10 0 GFAERN O=c1c(Cl)c(NCCn2ccnn2)cnn1-c1ccc(Cl)cc1Cl ZINC000302136783 563421873 /nfs/dbraw/zinc/42/18/73/563421873.db2.gz DGMDKGJZKKWQPH-UHFFFAOYSA-N 0 0 385.642 2.896 10 0 GFAERN CC(C)(C)c1csc([C@H]2CN(c3ncccc3S(C)(=O)=O)CCO2)n1 ZINC000302701528 563428178 /nfs/dbraw/zinc/42/81/78/563428178.db2.gz BFINIKMDKAJBMQ-GFCCVEGCSA-N 0 0 381.523 2.817 10 0 GFAERN O=S(=O)(c1cc(Cl)cc2c1OCC2)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000328615719 563461423 /nfs/dbraw/zinc/46/14/23/563461423.db2.gz YXHARBWHWOJXQX-DZGCQCFKSA-N 0 0 399.921 2.733 10 0 GFAERN Cn1ncc(C(=O)N[C@H]2CCCc3ccccc32)c1I ZINC000292651025 563791971 /nfs/dbraw/zinc/79/19/71/563791971.db2.gz KDOMNFXSJCMOGA-ZDUSSCGKSA-N 0 0 381.217 2.832 10 0 GFAERN CN1CCN(C(=O)c2csc(Br)c2)C[C@@H]1c1nc(C2CC2)no1 ZINC000367475574 563845562 /nfs/dbraw/zinc/84/55/62/563845562.db2.gz CUCSLOYGDWNBGI-LLVKDONJSA-N 0 0 397.298 2.900 10 0 GFAERN CCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(F)cc1F)C(=O)OC ZINC000006773131 570383182 /nfs/dbraw/zinc/38/31/82/570383182.db2.gz CHLOAWDJLZCHTD-SFHVURJKSA-N 0 0 377.391 2.786 10 0 GFAERN CC(C)c1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c(=O)[nH]1 ZINC000220622092 570389587 /nfs/dbraw/zinc/38/95/87/570389587.db2.gz JPHWYDYBYPRFAG-ALLBUHFWSA-N 0 0 382.460 2.675 10 0 GFAERN Cc1ccc(NC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)nc1 ZINC000006802355 570391554 /nfs/dbraw/zinc/39/15/54/570391554.db2.gz HUXTXWWKUQPQCC-UHFFFAOYSA-N 0 0 385.427 2.724 10 0 GFAERN O=C(Cn1cnc2ccccc2c1=O)Oc1ccc(F)cc1Br ZINC000007066643 654462363 /nfs/dbraw/zinc/46/23/63/654462363.db2.gz DOFLGNQXAOUMIE-UHFFFAOYSA-N 0 0 377.169 2.904 10 0 GFAERN C[C@H](NC(=O)CCOc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000031545988 654595409 /nfs/dbraw/zinc/59/54/09/654595409.db2.gz WHCCAQNZMGJKRY-LBPRGKRZSA-N 0 0 382.869 2.634 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(Cl)s1 ZINC000041758333 654630970 /nfs/dbraw/zinc/63/09/70/654630970.db2.gz QURTURJMGNPXLD-ZETCQYMHSA-N 0 0 386.260 2.970 10 0 GFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000057693202 654808331 /nfs/dbraw/zinc/80/83/31/654808331.db2.gz BHUGJGRMARCSQC-YGRLFVJLSA-N 0 0 377.238 2.964 10 0 GFAERN C[C@@H](OC(=O)CN(C)S(=O)(=O)c1cccnc1)c1ccc(F)c(Cl)c1 ZINC000066885372 654919867 /nfs/dbraw/zinc/91/98/67/654919867.db2.gz WBAXGYAQLJUKFT-LLVKDONJSA-N 0 0 386.832 2.799 10 0 GFAERN Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000133339280 654961100 /nfs/dbraw/zinc/96/11/00/654961100.db2.gz OGNPYIQWGNOFTB-LBPRGKRZSA-N 0 0 384.299 2.669 10 0 GFAERN COC(=O)c1coc(S(=O)(=O)N[C@H](C)c2ccccc2Br)c1 ZINC000134140215 654984378 /nfs/dbraw/zinc/98/43/78/654984378.db2.gz HRWWGJAPFLZRQC-SECBINFHSA-N 0 0 388.239 2.868 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccnc1-n1cccn1)c1ccc(Cl)s1 ZINC000071017297 654998411 /nfs/dbraw/zinc/99/84/11/654998411.db2.gz AVRKAZUTWMILPC-JTQLQIEISA-N 0 0 375.841 2.798 10 0 GFAERN Cc1csc(SCC(=O)N2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)n1 ZINC000091504482 655008790 /nfs/dbraw/zinc/00/87/90/655008790.db2.gz CHXQCHIMRJXBPC-GOSISDBHSA-N 0 0 379.551 2.795 10 0 GFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(Br)c(F)c1 ZINC000135291359 655013141 /nfs/dbraw/zinc/01/31/41/655013141.db2.gz DFKUAEQQYVHBEO-GFCCVEGCSA-N 0 0 379.233 2.777 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(Cc2cnc3ccc(Br)cn23)C1 ZINC000092708167 655015256 /nfs/dbraw/zinc/01/52/56/655015256.db2.gz NVNPJFVABYSVKT-AWEZNQCLSA-N 0 0 379.302 2.978 10 0 GFAERN NC(=O)c1c(F)cc(Br)cc1N1CCO[C@@H](c2nccs2)C1 ZINC000092829519 655015846 /nfs/dbraw/zinc/01/58/46/655015846.db2.gz UABRHYCVNNBASP-LLVKDONJSA-N 0 0 386.246 2.722 10 0 GFAERN CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)cc1F ZINC000093906805 655022225 /nfs/dbraw/zinc/02/22/25/655022225.db2.gz QBTMSAAVDUGYTG-NSHDSACASA-N 0 0 390.458 2.528 10 0 GFAERN C[C@@H](NC(=O)CCCS(=O)(=O)N1CCCC1)c1ccc(F)c(Cl)c1 ZINC000097680450 655037353 /nfs/dbraw/zinc/03/73/53/655037353.db2.gz PXWXAIOJXMUUCX-GFCCVEGCSA-N 0 0 376.881 2.862 10 0 GFAERN O=C(CCN1CCO[C@@H](Cn2cccn2)C1)Nc1c(Cl)cccc1Cl ZINC000106191028 655104754 /nfs/dbraw/zinc/10/47/54/655104754.db2.gz LXRPZQXOPHEJLG-CYBMUJFWSA-N 0 0 383.279 2.920 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000106392484 655107875 /nfs/dbraw/zinc/10/78/75/655107875.db2.gz XOUPJPXLPVTKJB-LBPRGKRZSA-N 0 0 375.694 2.631 10 0 GFAERN CCS(=O)(=O)CCN(C)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000159639612 655115651 /nfs/dbraw/zinc/11/56/51/655115651.db2.gz ACXFXXDERBUTPJ-LLVKDONJSA-N 0 0 382.404 2.722 10 0 GFAERN Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H](C)N1CCOCC1 ZINC000108214836 655129493 /nfs/dbraw/zinc/12/94/93/655129493.db2.gz XOPUBPUVPDVYGH-CYBMUJFWSA-N 0 0 394.313 2.549 10 0 GFAERN COC(=O)N[C@@H](C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)C(C)C ZINC000108264126 655130459 /nfs/dbraw/zinc/13/04/59/655130459.db2.gz BGHVMKDDEMPUJA-HUUCEWRRSA-N 0 0 399.285 2.730 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cc4c(s3)CCOC4)CC2)cs1 ZINC000109649516 655149827 /nfs/dbraw/zinc/14/98/27/655149827.db2.gz ATRGCBZUKNMKOR-UHFFFAOYSA-N 0 0 377.535 2.934 10 0 GFAERN O=C(COc1ccc(Br)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000110874756 655160979 /nfs/dbraw/zinc/16/09/79/655160979.db2.gz VUSXBDNMRWJTSH-ZDUSSCGKSA-N 0 0 383.267 2.885 10 0 GFAERN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110886307 655161013 /nfs/dbraw/zinc/16/10/13/655161013.db2.gz XNPVMEBTSBMSJI-JSGCOSHPSA-N 0 0 379.507 2.559 10 0 GFAERN Cc1nnc([C@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000173715459 655177296 /nfs/dbraw/zinc/17/72/96/655177296.db2.gz NGKJMKZRGZRJBP-CYBMUJFWSA-N 0 0 384.267 2.822 10 0 GFAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000173743282 655179121 /nfs/dbraw/zinc/17/91/21/655179121.db2.gz MSOANZLKQODDAM-LLVKDONJSA-N 0 0 375.281 2.747 10 0 GFAERN O=C(N[C@@H]1CCc2ncnn2C1)C1(c2ccc(Br)cc2)CCC1 ZINC000112655488 655194547 /nfs/dbraw/zinc/19/45/47/655194547.db2.gz JCEVXIZZBKRUEO-CQSZACIVSA-N 0 0 375.270 2.594 10 0 GFAERN O=C(CCOc1ccc(Cl)cc1Br)N[C@H]1CCc2ncnn2C1 ZINC000112660116 655194794 /nfs/dbraw/zinc/19/47/94/655194794.db2.gz FISIMWNPKDJOGB-NSHDSACASA-N 0 0 399.676 2.594 10 0 GFAERN CCn1cc(CN2CCCN(c3nc(Cl)c(C(=O)OC)s3)CC2)cn1 ZINC000112695474 655195290 /nfs/dbraw/zinc/19/52/90/655195290.db2.gz QKWMCAABRZSDJP-UHFFFAOYSA-N 0 0 383.905 2.512 10 0 GFAERN CC(C)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1 ZINC000112744401 655197190 /nfs/dbraw/zinc/19/71/90/655197190.db2.gz ZKRJJLJSDWCONO-CQSZACIVSA-N 0 0 392.301 2.632 10 0 GFAERN C[C@@H](OC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H]1CCOC1 ZINC000175234377 655216069 /nfs/dbraw/zinc/21/60/69/655216069.db2.gz NUJFSVNMJATTGB-NEPJUHHUSA-N 0 0 395.253 2.517 10 0 GFAERN O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@H]1CCc2nccn2C1 ZINC000275218549 655223493 /nfs/dbraw/zinc/22/34/93/655223493.db2.gz BTDJSUZAMPCWLY-DNGMOHDESA-N 0 0 396.310 2.798 10 0 GFAERN Cc1csc([C@H](OC(=O)CSc2nnnn2C2CC2)C(F)(F)F)n1 ZINC000175990267 655231561 /nfs/dbraw/zinc/23/15/61/655231561.db2.gz AGRGJYUMYDMZIT-VIFPVBQESA-N 0 0 379.389 2.712 10 0 GFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1c(Cl)cccc1C(F)(F)F ZINC000176750156 655254962 /nfs/dbraw/zinc/25/49/62/655254962.db2.gz AJTSFVWHCJHBKB-JTQLQIEISA-N 0 0 380.779 2.764 10 0 GFAERN COCCN1CCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)C[C@@H]1C ZINC000117284665 655263279 /nfs/dbraw/zinc/26/32/79/655263279.db2.gz TZGBHSWSEANOFD-NSHDSACASA-N 0 0 398.276 2.862 10 0 GFAERN COCCN1CCN(C(=O)c2ccc(Br)cc2Cl)C[C@H]1C ZINC000117287189 655263286 /nfs/dbraw/zinc/26/32/86/655263286.db2.gz ILJKNCKLKLHTPM-LLVKDONJSA-N 0 0 375.694 2.895 10 0 GFAERN Cc1cnn(CCNS(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000117927715 655270078 /nfs/dbraw/zinc/27/00/78/655270078.db2.gz UNRDEAMUYJKFKT-UHFFFAOYSA-N 0 0 378.679 2.586 10 0 GFAERN O=C(CSC[C@@H](O)CO)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000177419534 655276252 /nfs/dbraw/zinc/27/62/52/655276252.db2.gz PXUXGRCIRKACHI-AAEUAGOBSA-N 0 0 382.532 2.574 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000118480023 655276780 /nfs/dbraw/zinc/27/67/80/655276780.db2.gz BPPGSQYFNAVOPF-GWCFXTLKSA-N 0 0 389.315 2.709 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccccc1Br ZINC000177588022 655282875 /nfs/dbraw/zinc/28/28/75/655282875.db2.gz FGPHVHLHEOGOIG-SNVBAGLBSA-N 0 0 378.288 2.800 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(Br)cc1 ZINC000119213619 655293264 /nfs/dbraw/zinc/29/32/64/655293264.db2.gz HESFVRWVGVTUNG-CYBMUJFWSA-N 0 0 378.274 2.937 10 0 GFAERN NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC(Cn2cccn2)CC1 ZINC000119250286 655295294 /nfs/dbraw/zinc/29/52/94/655295294.db2.gz LVSRIOGVVUSJPP-MRXNPFEDSA-N 0 0 395.276 2.723 10 0 GFAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C(C)C ZINC000178417644 655303475 /nfs/dbraw/zinc/30/34/75/655303475.db2.gz ATXPYJRRCIHWPC-HUUCEWRRSA-N 0 0 388.295 2.847 10 0 GFAERN CO[C@@]1(C(=O)Nc2ccc(Cl)cc2I)CCOC1 ZINC000277290355 655311457 /nfs/dbraw/zinc/31/14/57/655311457.db2.gz VGZJEGPSGGUWBL-LBPRGKRZSA-N 0 0 381.597 2.689 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)N[C@H](CC)CSC)CC1 ZINC000179973943 655320286 /nfs/dbraw/zinc/32/02/86/655320286.db2.gz YHSKYLKVWHXJDN-CYBMUJFWSA-N 0 0 387.981 2.605 10 0 GFAERN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000180641513 655328824 /nfs/dbraw/zinc/32/88/24/655328824.db2.gz JLKLRCZVHBCFAB-BMIGLBTASA-N 0 0 383.279 2.562 10 0 GFAERN C[C@@H](NC(=O)N1CCC(N2CCNC2=O)CC1)c1ccccc1Br ZINC000120299553 655334289 /nfs/dbraw/zinc/33/42/89/655334289.db2.gz LJULQNRVXKSREF-GFCCVEGCSA-N 0 0 395.301 2.709 10 0 GFAERN CCC[C@H]([NH2+]CCCOc1cccc(I)c1)C(=O)[O-] ZINC000185053460 655361999 /nfs/dbraw/zinc/36/19/99/655361999.db2.gz YJQHWPGJYNVUAP-ZDUSSCGKSA-N 0 0 377.222 2.903 10 0 GFAERN CCC[C@@H]([NH2+]CCCOc1cccc(I)c1)C(=O)[O-] ZINC000185053476 655362154 /nfs/dbraw/zinc/36/21/54/655362154.db2.gz YJQHWPGJYNVUAP-CYBMUJFWSA-N 0 0 377.222 2.903 10 0 GFAERN O=C(CCSc1nc2ccccc2s1)N1CC(NC(=O)C2CCC2)C1 ZINC000189223115 655385434 /nfs/dbraw/zinc/38/54/34/655385434.db2.gz IHGIQKAERYNSLB-UHFFFAOYSA-N 0 0 375.519 2.906 10 0 GFAERN C[C@@H](NC(=O)NNc1nc2ccccn2n1)c1ccccc1Br ZINC000190467038 655392304 /nfs/dbraw/zinc/39/23/04/655392304.db2.gz BRNJNFLVMCACQF-SNVBAGLBSA-N 0 0 375.230 2.879 10 0 GFAERN C[C@@H]1C(=O)NCCCN1Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000190707403 655394323 /nfs/dbraw/zinc/39/43/23/655394323.db2.gz VGLZPUAECZUDRU-LLVKDONJSA-N 0 0 381.249 2.620 10 0 GFAERN COCCOc1cc(C(=O)N2CCN(C)CC2)cc2oc(Br)cc21 ZINC000223648587 655422317 /nfs/dbraw/zinc/42/23/17/655422317.db2.gz MRUJPJBOHQZCFP-UHFFFAOYSA-N 0 0 397.269 2.608 10 0 GFAERN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cc3oc(Br)cc3n2C)C1 ZINC000223702108 655422349 /nfs/dbraw/zinc/42/23/49/655422349.db2.gz JVHJZYSYZANKDH-LLVKDONJSA-N 0 0 396.285 2.911 10 0 GFAERN CCCN1CCN(C(=O)c2cc3oc(Br)cc3n2CCOC)CC1 ZINC000223716837 655422462 /nfs/dbraw/zinc/42/24/62/655422462.db2.gz NKSYKIZHKANQNK-UHFFFAOYSA-N 0 0 398.301 2.811 10 0 GFAERN O=S(=O)(c1cc(Br)cnc1Cl)N1CCO[C@H]2CCCC[C@H]21 ZINC000226936252 655422782 /nfs/dbraw/zinc/42/27/82/655422782.db2.gz TZZJXRGFGRSIFT-MNOVXSKESA-N 0 0 395.706 2.830 10 0 GFAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@@H]1C ZINC000245736733 655428349 /nfs/dbraw/zinc/42/83/49/655428349.db2.gz UWYCOARVLBOLJE-IHRRRGAJSA-N 0 0 379.551 2.690 10 0 GFAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccc3c(Cl)ccc(Cl)c3n2)CCO1 ZINC000263397711 655451543 /nfs/dbraw/zinc/45/15/43/655451543.db2.gz IBGDCYAPQYZTII-NSHDSACASA-N 0 0 384.263 2.763 10 0 GFAERN CC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000722085328 655525234 /nfs/dbraw/zinc/52/52/34/655525234.db2.gz KKMGUBIDUVWMQP-SNVBAGLBSA-N 0 0 375.181 2.872 10 0 GFAERN CC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000722085327 655525255 /nfs/dbraw/zinc/52/52/55/655525255.db2.gz KKMGUBIDUVWMQP-JTQLQIEISA-N 0 0 375.181 2.872 10 0 GFAERN CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(F)(F)F)cc1 ZINC000913020961 664316968 /nfs/dbraw/zinc/31/69/68/664316968.db2.gz FMRYEZPSEPOQRI-CQSZACIVSA-N 0 0 378.416 2.788 10 0 GFAERN C[C@@H]1CN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CCS1 ZINC000120509619 677396655 /nfs/dbraw/zinc/39/66/55/677396655.db2.gz XUFDIIJBRXNEPG-SNVBAGLBSA-N 0 0 396.314 2.881 10 0 GFAERN Nc1nc2c(cnn2CCCc2ccc(O)cc2)c2nc(-c3ccco3)nn21 ZINC000000841354 212188461 /nfs/dbraw/zinc/18/84/61/212188461.db2.gz AXDUXMMFIPBLRQ-UHFFFAOYSA-N 0 0 375.392 2.655 10 0 GFAERN NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000090558359 212151571 /nfs/dbraw/zinc/15/15/71/212151571.db2.gz SCQNXXLGAVKHBF-ZDUSSCGKSA-N 0 0 378.425 2.504 10 0 GFAERN CNC(=O)c1ccc([C@H]2CCCCN2Cc2nccn2CC(F)(F)F)n1C ZINC000328654175 212088778 /nfs/dbraw/zinc/08/87/78/212088778.db2.gz XHJGDFWLTUSUIX-CQSZACIVSA-N 0 0 383.418 2.871 10 0 GFAERN COc1cc(Cl)c(NCc2nnc3n2c2ccccc2c(=O)n3C)cc1OC ZINC000011101937 221110793 /nfs/dbraw/zinc/11/07/93/221110793.db2.gz XFYMQZQEERWSRR-UHFFFAOYSA-N 0 0 399.838 2.864 10 0 GFAERN COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCCC2)c1 ZINC000011663179 221120460 /nfs/dbraw/zinc/12/04/60/221120460.db2.gz JIZCOJWOXYUVCL-FQEVSTJZSA-N 0 0 387.524 2.615 10 0 GFAERN C[C@@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)N(C)c3ccccc3)c2)C1=O ZINC000012005215 221142660 /nfs/dbraw/zinc/14/26/60/221142660.db2.gz YPDYKPRPITVMMT-GFCCVEGCSA-N 0 0 392.864 2.929 10 0 GFAERN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)C1=O ZINC000012021180 221143437 /nfs/dbraw/zinc/14/34/37/221143437.db2.gz AFOQMILYSDULQJ-KUHUBIRLSA-N 0 0 398.484 2.807 10 0 GFAERN O=C(NC1CCCCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl ZINC000012023237 221143483 /nfs/dbraw/zinc/14/34/83/221143483.db2.gz KKRYJJPYEOZOMM-UHFFFAOYSA-N 0 0 384.885 2.859 10 0 GFAERN O=C(N[C@H]1CCCc2ccccc21)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000012025728 221143714 /nfs/dbraw/zinc/14/37/14/221143714.db2.gz AYEMHODVHKXCLO-SFHVURJKSA-N 0 0 384.457 2.561 10 0 GFAERN O=C(NCc1ccncn1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012075905 221148915 /nfs/dbraw/zinc/14/89/15/221148915.db2.gz ZRUPQKTVGQCZAA-AWEZNQCLSA-N 0 0 392.381 2.550 10 0 GFAERN Cc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC1CCCCC1 ZINC000012208487 221168477 /nfs/dbraw/zinc/16/84/77/221168477.db2.gz YPEIXWOLKKITMJ-UHFFFAOYSA-N 0 0 386.539 2.536 10 0 GFAERN Cc1cc(C(=O)N[C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)c(C)o1 ZINC000012439810 221196175 /nfs/dbraw/zinc/19/61/75/221196175.db2.gz ACQQUARWZNIZTD-SFHVURJKSA-N 0 0 384.480 2.703 10 0 GFAERN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)cc1 ZINC000012717195 221220876 /nfs/dbraw/zinc/22/08/76/221220876.db2.gz LUJYZPMMUPIBNN-FQEVSTJZSA-N 0 0 387.524 2.615 10 0 GFAERN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](N(C)Cc1cscn1)CC2 ZINC000014754900 221316252 /nfs/dbraw/zinc/31/62/52/221316252.db2.gz BCEOPBKLGGDZQG-HNNXBMFYSA-N 0 0 399.520 2.731 10 0 GFAERN CCn1c(C)cc(O)c(C(c2ccncc2)c2c(O)cc(C)n(CC)c2=O)c1=O ZINC000016162731 221359201 /nfs/dbraw/zinc/35/92/01/221359201.db2.gz NZZUUJBPDDAVFE-UHFFFAOYSA-N 0 0 395.459 2.653 10 0 GFAERN COc1cc(C(=O)Nc2c(C)nc3scc(C)n3c2=O)cc(OC)c1OC ZINC000021361178 221530329 /nfs/dbraw/zinc/53/03/29/221530329.db2.gz NKQWZJYGGUYADL-UHFFFAOYSA-N 0 0 389.433 2.651 10 0 GFAERN O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cnc2sccn2c1=O ZINC000028234065 221671402 /nfs/dbraw/zinc/67/14/02/221671402.db2.gz ZJLNTACCADVKBX-UHFFFAOYSA-N 0 0 385.836 2.907 10 0 GFAERN CCC(=O)N1CCc2sc(C(=O)NCc3cccc(OC)c3OC)cc2C1 ZINC000065200993 222109815 /nfs/dbraw/zinc/10/98/15/222109815.db2.gz VZFKJJOORJPGKQ-UHFFFAOYSA-N 0 0 388.489 2.990 10 0 GFAERN Cc1cccc(C(=O)N[C@@H](c2nnc(N3CCOCC3)o2)c2ccccc2)c1 ZINC000065209688 222111674 /nfs/dbraw/zinc/11/16/74/222111674.db2.gz JWHKAEJXSNAXDT-GOSISDBHSA-N 0 0 378.432 2.734 10 0 GFAERN Cc1ccc2c(C(=O)N3CCN(C)C(=O)[C@H]3C)cc(-c3cncnc3)nc2c1C ZINC000063882085 222069608 /nfs/dbraw/zinc/06/96/08/222069608.db2.gz XRBMEMMDKRUHQW-OAHLLOKOSA-N 0 0 389.459 2.611 10 0 GFAERN COc1ccc(OC)c(CNC(=O)[C@@H]2c3ccccc3CCN2C(=O)C2CC2)c1 ZINC000065230902 222112986 /nfs/dbraw/zinc/11/29/86/222112986.db2.gz XBBPSHIJKFNJAI-NRFANRHFSA-N 0 0 394.471 2.856 10 0 GFAERN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@@H](C)C(=O)NCCC(C)C)c2=O ZINC000064971190 222091102 /nfs/dbraw/zinc/09/11/02/222091102.db2.gz QBGYGHGTCGZNMF-INIZCTEOSA-N 0 0 381.480 2.922 10 0 GFAERN O=C(NCCc1cccnc1)[C@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000065266158 222118557 /nfs/dbraw/zinc/11/85/57/222118557.db2.gz QUIDHHYEGFZFGT-HXUWFJFHSA-N 0 0 392.503 2.858 10 0 GFAERN COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)c2ccccc2)c(OC)c1 ZINC000065266620 222119132 /nfs/dbraw/zinc/11/91/32/222119132.db2.gz MHSHBHLBNUWZLT-BXWFABGCSA-N 0 0 380.444 2.737 10 0 GFAERN Cc1cc([C@H]2CC(=O)Nc3cc(OCC(=O)N4CCOCC4)ccc32)oc1C ZINC000065395465 222126277 /nfs/dbraw/zinc/12/62/77/222126277.db2.gz CXDVXVJXSFEPSB-KRWDZBQOSA-N 0 0 384.432 2.608 10 0 GFAERN O=C1NC[C@@H](CN2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)O1 ZINC000067881487 222165061 /nfs/dbraw/zinc/16/50/61/222165061.db2.gz RKUNYPCPQOTUTO-AWEZNQCLSA-N 0 0 397.456 2.972 10 0 GFAERN O=C(NC(=S)NC[C@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000071973947 222201661 /nfs/dbraw/zinc/20/16/61/222201661.db2.gz QYQFYSFNTICPBU-AWEZNQCLSA-N 0 0 379.279 2.787 10 0 GFAERN CC(C)NS(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1ccc(Br)cc1 ZINC000095088569 222330824 /nfs/dbraw/zinc/33/08/24/222330824.db2.gz ZYHIKHQMFQUFSB-DZGCQCFKSA-N 0 0 376.316 2.725 10 0 GFAERN Cc1cc(Cl)nc(S(=O)(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000095090495 222330963 /nfs/dbraw/zinc/33/09/63/222330963.db2.gz MWNAENXDEHYKDT-UHFFFAOYSA-N 0 0 389.905 2.859 10 0 GFAERN COc1cc2[nH]c(=O)n(Cc3ccc(C(F)(F)F)cc3)c(=O)c2cc1OC ZINC000073657943 522987844 /nfs/dbraw/zinc/98/78/44/522987844.db2.gz JXFPATZHDADKJE-UHFFFAOYSA-N 0 0 380.322 2.774 10 0 GFAERN O=C([O-])[C@@H]1CCC[N@H+](Cc2nnn(-c3cccc(F)c3)c2-c2ccncc2)C1 ZINC000057345131 526272946 /nfs/dbraw/zinc/27/29/46/526272946.db2.gz JTDOZSBZZAHRBK-OAHLLOKOSA-N 0 0 381.411 2.765 10 0 GFAERN CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCCO3)C2)ncn1 ZINC000065244830 535193328 /nfs/dbraw/zinc/19/33/28/535193328.db2.gz VWSXKTFJCNEDFF-SJORKVTESA-N 0 0 375.517 2.590 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000048779638 551157532 /nfs/dbraw/zinc/15/75/32/551157532.db2.gz INAPZFJFUMPKKZ-NSHDSACASA-N 0 0 380.853 2.559 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000068323310 551191516 /nfs/dbraw/zinc/19/15/16/551191516.db2.gz LGIPQKRQIZZJNT-GFCCVEGCSA-N 0 0 384.860 2.805 10 0 GFAERN Cc1nc(CN2CCCN(S(=O)(=O)Cc3cccc(F)c3)CC2)cs1 ZINC000116351206 551212995 /nfs/dbraw/zinc/21/29/95/551212995.db2.gz PTVVOHOWYFIEOK-UHFFFAOYSA-N 0 0 383.514 2.628 10 0 GFAERN Cn1cc([C@@H]2CCN(S(=O)(=O)/C=C/c3ccc(Br)cc3)C2)cn1 ZINC000116369696 551213126 /nfs/dbraw/zinc/21/31/26/551213126.db2.gz JXTYGDAWWQZCAZ-RCQQVGEISA-N 0 0 396.310 2.973 10 0 GFAERN C[C@H](NC(=O)Nc1nc(CS(C)(=O)=O)no1)c1ccc(Cl)c(Cl)c1 ZINC000120392907 551220658 /nfs/dbraw/zinc/22/06/58/551220658.db2.gz FVCNQGQCGVTNHW-ZETCQYMHSA-N 0 0 393.252 2.804 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)c2cc3c(cccc3Br)[nH]2)n1 ZINC000120959310 551223947 /nfs/dbraw/zinc/22/39/47/551223947.db2.gz JPSDYSVGTQRCBV-CQSZACIVSA-N 0 0 391.225 2.836 10 0 GFAERN CCn1cnnc1C1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000121461623 551234768 /nfs/dbraw/zinc/23/47/68/551234768.db2.gz SOAJBCPHIRWGQX-UHFFFAOYSA-N 0 0 386.880 2.967 10 0 GFAERN C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1nnc2n1CCCC2 ZINC000121699608 551239706 /nfs/dbraw/zinc/23/97/06/551239706.db2.gz RTYVWCRTUUQYDK-VIFPVBQESA-N 0 0 375.281 2.961 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000121692854 551239845 /nfs/dbraw/zinc/23/98/45/551239845.db2.gz WUHBFYMRFCMFQT-GFCCVEGCSA-N 0 0 382.251 2.737 10 0 GFAERN C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1nnc2n1CCCC2 ZINC000121749452 551242003 /nfs/dbraw/zinc/24/20/03/551242003.db2.gz UGTVCSSMPNDNAW-VIFPVBQESA-N 0 0 375.281 2.961 10 0 GFAERN CC(C)[C@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)C(N)=O ZINC000122733335 551301264 /nfs/dbraw/zinc/30/12/64/551301264.db2.gz LVRUNQJIWDYARZ-AWEZNQCLSA-N 0 0 386.235 2.800 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000122791292 551302014 /nfs/dbraw/zinc/30/20/14/551302014.db2.gz FAEIYHLBSNSZSP-LLVKDONJSA-N 0 0 384.527 2.597 10 0 GFAERN O=C(Nc1ccccc1Br)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123385912 551306126 /nfs/dbraw/zinc/30/61/26/551306126.db2.gz OSUHCNBUOYFPGM-YVEFUNNKSA-N 0 0 381.270 2.541 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000126315907 551328208 /nfs/dbraw/zinc/32/82/08/551328208.db2.gz RPANHIYZPWNEDK-CYBMUJFWSA-N 0 0 398.301 2.745 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3cncc(Br)c3)C2)n1 ZINC000126873008 551333710 /nfs/dbraw/zinc/33/37/10/551333710.db2.gz YOJABJZLCLAHKV-ZDUSSCGKSA-N 0 0 393.289 2.997 10 0 GFAERN CC[S@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000127451093 551341128 /nfs/dbraw/zinc/34/11/28/551341128.db2.gz LIMVAJFBZRYARO-RKNYENMMSA-N 0 0 379.503 2.709 10 0 GFAERN COc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1I ZINC000130811503 551369881 /nfs/dbraw/zinc/36/98/81/551369881.db2.gz OHHOPOQGENKVSN-JOYOIKCWSA-N 0 0 375.206 2.597 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(I)c1 ZINC000151207764 551408867 /nfs/dbraw/zinc/40/88/67/551408867.db2.gz QQQVHVUXECUOQB-LBPRGKRZSA-N 0 0 396.232 2.710 10 0 GFAERN Cc1c(C(=O)N[C@H]2CCCC[C@H]2O)cnn1-c1cccc(Br)c1 ZINC000151852114 551422433 /nfs/dbraw/zinc/42/24/33/551422433.db2.gz YWKJWCKJDAGHCQ-JKSUJKDBSA-N 0 0 378.270 2.977 10 0 GFAERN Cc1nn(C)c(NC(=O)C(=O)N[C@H]2C[C@H]2C)c1-c1ccc(Br)cc1 ZINC000152231390 551428897 /nfs/dbraw/zinc/42/88/97/551428897.db2.gz ASWNFBCKLJKBHE-RNCFNFMXSA-N 0 0 391.269 2.621 10 0 GFAERN C[C@@H](NC(N)=O)C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000152754878 551439018 /nfs/dbraw/zinc/43/90/18/551439018.db2.gz MUQPLVOXNKIQBS-RKDXNWHRSA-N 0 0 397.298 2.807 10 0 GFAERN COc1ccc(Br)c(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000152819791 551440784 /nfs/dbraw/zinc/44/07/84/551440784.db2.gz DINCWPOLLREMGK-CYBMUJFWSA-N 0 0 393.285 2.531 10 0 GFAERN Cn1cc([C@@]2(C)CN(c3ncnc4ccc(Br)cc43)CCO2)cn1 ZINC000153289337 551450178 /nfs/dbraw/zinc/45/01/78/551450178.db2.gz RCMXTHVKIJRURU-QGZVFWFLSA-N 0 0 388.269 2.878 10 0 GFAERN O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000153347349 551450968 /nfs/dbraw/zinc/45/09/68/551450968.db2.gz KBXWYODKFWQZGA-CYBMUJFWSA-N 0 0 381.249 2.661 10 0 GFAERN O=C(NCCc1nc2c(s1)CCCC2)N1CCO[C@H](c2nccs2)C1 ZINC000153891984 551462726 /nfs/dbraw/zinc/46/27/26/551462726.db2.gz GEKBBZNQUYGPMR-ZDUSSCGKSA-N 0 0 378.523 2.804 10 0 GFAERN CCOc1cc(Br)ccc1NC(=O)NC[C@H](C)N1CCOCC1 ZINC000154978000 551487566 /nfs/dbraw/zinc/48/75/66/551487566.db2.gz JEFRYKWTCDIZRS-LBPRGKRZSA-N 0 0 386.290 2.690 10 0 GFAERN Cn1cc([C@H]2CCN(C(=O)c3ccc(F)c(I)c3)C2)cn1 ZINC000155169794 551493502 /nfs/dbraw/zinc/49/35/02/551493502.db2.gz LMPQVMSYABQGEL-NSHDSACASA-N 0 0 399.207 2.794 10 0 GFAERN O=C(c1ccc(Br)cc1-n1cncn1)N1CCO[C@H]2CCCC[C@H]21 ZINC000155298840 551496736 /nfs/dbraw/zinc/49/67/36/551496736.db2.gz MBSKDJVFOCGMPX-ZBFHGGJFSA-N 0 0 391.269 2.813 10 0 GFAERN Cn1nccc1C1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000155394732 551498944 /nfs/dbraw/zinc/49/89/44/551498944.db2.gz MTVYHALUAKAXSF-INIZCTEOSA-N 0 0 377.286 2.589 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)Cc2csc(-c3cccs3)n2)n1 ZINC000155429211 551499256 /nfs/dbraw/zinc/49/92/56/551499256.db2.gz RJLHGYXTRACSGQ-GFCCVEGCSA-N 0 0 376.463 2.706 10 0 GFAERN O=C(Cc1csc(NC(=O)c2cccs2)n1)NC[C@@H]1CCCC[C@@H]1O ZINC000155466142 551500218 /nfs/dbraw/zinc/50/02/18/551500218.db2.gz FANDOPBXGJNIDI-AAEUAGOBSA-N 0 0 379.507 2.667 10 0 GFAERN Cc1noc([C@@H]2COCCN2C(=O)CCc2ccc(Br)cc2)n1 ZINC000155553213 551502381 /nfs/dbraw/zinc/50/23/81/551502381.db2.gz OGRCDJIOIQIFOG-AWEZNQCLSA-N 0 0 380.242 2.673 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)CCc2ccc(Br)cc2)n1 ZINC000155553325 551502522 /nfs/dbraw/zinc/50/25/22/551502522.db2.gz OGRCDJIOIQIFOG-CQSZACIVSA-N 0 0 380.242 2.673 10 0 GFAERN CC[N@@H+]1CCC[C@H](NC(=O)c2cc(F)c(F)cc2I)C1 ZINC000155675372 551505308 /nfs/dbraw/zinc/50/53/08/551505308.db2.gz LAYCZMHMBYXKSR-VIFPVBQESA-N 0 0 394.203 2.784 10 0 GFAERN O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000156600954 551525453 /nfs/dbraw/zinc/52/54/53/551525453.db2.gz IWXNRDRLRNGMFP-SKDRFNHKSA-N 0 0 389.677 2.708 10 0 GFAERN CC[C@@H](COC)NC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000157514362 551538720 /nfs/dbraw/zinc/53/87/20/551538720.db2.gz DLOTZUIUXGFXHP-KBPBESRZSA-N 0 0 387.274 2.778 10 0 GFAERN C[C@H]1CN(C(=O)c2ccnc(Cl)c2I)C[C@H](C)O1 ZINC000158831517 551557262 /nfs/dbraw/zinc/55/72/62/551557262.db2.gz BTGWUVDPPZCVTJ-YUMQZZPRSA-N 0 0 380.613 2.589 10 0 GFAERN Cc1noc([C@@H]2COCCN2Cc2nc3cc(Br)ccc3[nH]2)n1 ZINC000161727370 551597560 /nfs/dbraw/zinc/59/75/60/551597560.db2.gz WAHSFLXJVSRVCP-ZDUSSCGKSA-N 0 0 378.230 2.590 10 0 GFAERN C[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CCS1 ZINC000162192116 551604737 /nfs/dbraw/zinc/60/47/37/551604737.db2.gz XVEITAZECROOGK-SNVBAGLBSA-N 0 0 379.345 2.641 10 0 GFAERN C[C@H](C(=O)NCCc1cscn1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000162701774 551612251 /nfs/dbraw/zinc/61/22/51/551612251.db2.gz GCHRWOKTPGHPLS-MRVPVSSYSA-N 0 0 398.271 2.793 10 0 GFAERN CC(C)[C@@H](O)CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000162754588 551612778 /nfs/dbraw/zinc/61/27/78/551612778.db2.gz JPADSLHWKDHFQJ-KRWDZBQOSA-N 0 0 383.330 2.937 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)c1ccc(Cl)c(Cl)c1 ZINC000162903324 551614334 /nfs/dbraw/zinc/61/43/34/551614334.db2.gz KSJPNICCOSGQFR-VIFPVBQESA-N 0 0 382.251 2.665 10 0 GFAERN C[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)c1cccc(-n2ccnc2)c1 ZINC000164137349 551624153 /nfs/dbraw/zinc/62/41/53/551624153.db2.gz LRUSEGOVMAFSHE-GFCCVEGCSA-N 0 0 375.475 2.828 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCS[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000164432017 551625614 /nfs/dbraw/zinc/62/56/14/551625614.db2.gz HMDKGGLSDWZWJP-NSHDSACASA-N 0 0 376.400 2.839 10 0 GFAERN CCCC(=O)N[C@H]1CCCN(Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000170652062 551637127 /nfs/dbraw/zinc/63/71/27/551637127.db2.gz CZOASCZZNHNPJB-NSHDSACASA-N 0 0 397.273 2.973 10 0 GFAERN Cc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1ccccc1Br)CC2 ZINC000170756251 551639159 /nfs/dbraw/zinc/63/91/59/551639159.db2.gz FAYOSLSWMABPOF-JQWIXIFHSA-N 0 0 378.274 2.724 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1Br ZINC000171396388 551654329 /nfs/dbraw/zinc/65/43/29/551654329.db2.gz VFDWPZONXUDQOA-OAHLLOKOSA-N 0 0 391.269 2.793 10 0 GFAERN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171525955 551657315 /nfs/dbraw/zinc/65/73/15/551657315.db2.gz FRFOVGIDTWPGBG-MRXNPFEDSA-N 0 0 382.295 2.880 10 0 GFAERN C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCS1 ZINC000171569231 551658216 /nfs/dbraw/zinc/65/82/16/551658216.db2.gz ZOEDFVYIILPRSC-RISCZKNCSA-N 0 0 383.311 2.766 10 0 GFAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)nc3Cl)C2)c1 ZINC000171778856 551663287 /nfs/dbraw/zinc/66/32/87/551663287.db2.gz XNHCUJTZYIGWRA-NSHDSACASA-N 0 0 375.281 2.919 10 0 GFAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000172346282 551677067 /nfs/dbraw/zinc/67/70/67/551677067.db2.gz VDADXYLIWZTWQT-LBPRGKRZSA-N 0 0 388.295 2.501 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000173105591 551695977 /nfs/dbraw/zinc/69/59/77/551695977.db2.gz DQWDLFADNSTOBY-RYUDHWBXSA-N 0 0 375.332 2.529 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(Br)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000173823461 552092773 /nfs/dbraw/zinc/09/27/73/552092773.db2.gz ACGIKIKDBJCNJH-XHDPSFHLSA-N 0 0 387.705 2.895 10 0 GFAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1Cn1ccnc1 ZINC000173835441 552093246 /nfs/dbraw/zinc/09/32/46/552093246.db2.gz HHSWVUVQMAVIIP-LBPRGKRZSA-N 0 0 375.372 2.635 10 0 GFAERN CCc1nnc([C@@H]2CN(Cc3ccc(OC)c(Br)c3)CCO2)[nH]1 ZINC000174100597 552098838 /nfs/dbraw/zinc/09/88/38/552098838.db2.gz ULVXIEXSRPRVLO-AWEZNQCLSA-N 0 0 381.274 2.712 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2Cl)C[C@H]1C ZINC000174353633 552103026 /nfs/dbraw/zinc/10/30/26/552103026.db2.gz YZWSTVTTWJNEHH-GHMZBOCLSA-N 0 0 375.694 2.630 10 0 GFAERN O=C(NCc1ccc(Br)c(F)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000174437437 552104120 /nfs/dbraw/zinc/10/41/20/552104120.db2.gz BLIIBFAVAVFRPW-GFCCVEGCSA-N 0 0 382.237 2.726 10 0 GFAERN C[C@H](CNC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)Cc1cccs1 ZINC000174541799 552106055 /nfs/dbraw/zinc/10/60/55/552106055.db2.gz QARNPKCQAZTMOY-STQMWFEESA-N 0 0 381.523 2.635 10 0 GFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)Cc1ccccc1 ZINC000175212879 552117891 /nfs/dbraw/zinc/11/78/91/552117891.db2.gz LHZANGWCDBODFW-KRWDZBQOSA-N 0 0 380.535 2.583 10 0 GFAERN Cc1ccc([C@@H](CNS(=O)(=O)c2cccc(C)c2)N2CCOCC2)s1 ZINC000175216561 552117995 /nfs/dbraw/zinc/11/79/95/552117995.db2.gz PXYIOPLAHYZETP-QGZVFWFLSA-N 0 0 380.535 2.717 10 0 GFAERN COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)ccc1F ZINC000175379331 552120830 /nfs/dbraw/zinc/12/08/30/552120830.db2.gz SDJPEGFIMUXOIK-AWEZNQCLSA-N 0 0 384.454 2.985 10 0 GFAERN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176102586 552136135 /nfs/dbraw/zinc/13/61/35/552136135.db2.gz ROIKDHAULCOEAX-SNVBAGLBSA-N 0 0 388.642 2.828 10 0 GFAERN C[C@@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)[C@H]1CCCO1 ZINC000176678836 552143706 /nfs/dbraw/zinc/14/37/06/552143706.db2.gz YEVLJKDNGFONPM-IAQYHMDHSA-N 0 0 388.917 2.714 10 0 GFAERN CSc1ccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1Cl ZINC000176848583 552147468 /nfs/dbraw/zinc/14/74/68/552147468.db2.gz PTYHHICGVKELOX-NSHDSACASA-N 0 0 378.885 2.750 10 0 GFAERN Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177176309 552151230 /nfs/dbraw/zinc/15/12/30/552151230.db2.gz RMBYXOBYUZQMQS-NEPJUHHUSA-N 0 0 389.677 2.769 10 0 GFAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000177363351 552153711 /nfs/dbraw/zinc/15/37/11/552153711.db2.gz GXNKRYLYMNQXOL-RISCZKNCSA-N 0 0 378.274 2.806 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3occc3Br)CC2)n1 ZINC000177352009 552154021 /nfs/dbraw/zinc/15/40/21/552154021.db2.gz UYECHEVMMXNVFM-SNVBAGLBSA-N 0 0 383.246 2.507 10 0 GFAERN Cc1nc(CN2CCCN(Cc3ccc(Br)c(F)c3)CC2)no1 ZINC000177711445 552157037 /nfs/dbraw/zinc/15/70/37/552157037.db2.gz ARLXBXJAZQMKLL-UHFFFAOYSA-N 0 0 383.265 2.988 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C)c(I)c1 ZINC000177694891 552157171 /nfs/dbraw/zinc/15/71/71/552157171.db2.gz DBGJTOFXVZWSLT-CYBMUJFWSA-N 0 0 396.232 2.764 10 0 GFAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178333441 552169283 /nfs/dbraw/zinc/16/92/83/552169283.db2.gz SERAXEBWSNKTHV-SJKOYZFVSA-N 0 0 382.254 2.945 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)COc1ccccc1Br)CC2 ZINC000179403015 552192080 /nfs/dbraw/zinc/19/20/80/552192080.db2.gz NKVQRHRNTMMKTF-GFCCVEGCSA-N 0 0 393.285 2.674 10 0 GFAERN C[C@@H](NCC(=O)NCCCN1CCCC1=O)c1c(Cl)ccc(F)c1Cl ZINC000179539991 552195949 /nfs/dbraw/zinc/19/59/49/552195949.db2.gz RMGUZZASKQPSEI-LLVKDONJSA-N 0 0 390.286 2.912 10 0 GFAERN C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N1CCC(C(N)=O)CC1 ZINC000179542642 552196138 /nfs/dbraw/zinc/19/61/38/552196138.db2.gz WGDAPQNENXWFQA-UWVGGRQHSA-N 0 0 390.286 2.896 10 0 GFAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181495625 552258075 /nfs/dbraw/zinc/25/80/75/552258075.db2.gz IVDHMSDJBKXRLL-JKSUJKDBSA-N 0 0 385.291 2.883 10 0 GFAERN C[C@@H](NCC(=O)N[C@@H](C)C(=O)N1CCCCC1)c1ccccc1Br ZINC000181572585 552261333 /nfs/dbraw/zinc/26/13/33/552261333.db2.gz ARBSYRMRPFLLDJ-KGLIPLIRSA-N 0 0 396.329 2.617 10 0 GFAERN COC(=O)c1cc(NC(=O)[C@@H](C)NC(=O)c2ccco2)ccc1Br ZINC000182007989 552272882 /nfs/dbraw/zinc/27/28/82/552272882.db2.gz VAAZBJDGCDDDQD-SECBINFHSA-N 0 0 395.209 2.586 10 0 GFAERN CC(C)c1nnc(CSc2nnnn2-c2ccc(Br)cc2)n1C ZINC000182190701 552277745 /nfs/dbraw/zinc/27/77/45/552277745.db2.gz WGXCJNUAANZACI-UHFFFAOYSA-N 0 0 394.302 2.969 10 0 GFAERN COc1cc(Br)ccc1CCCNC(=O)NCCn1cc(C)cn1 ZINC000182728399 552291488 /nfs/dbraw/zinc/29/14/88/552291488.db2.gz CINRLMHVQLANEJ-UHFFFAOYSA-N 0 0 395.301 2.895 10 0 GFAERN COc1ccc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)nc1Br ZINC000183039080 552299406 /nfs/dbraw/zinc/29/94/06/552299406.db2.gz KCFVNBKOXQWMLT-LBPRGKRZSA-N 0 0 379.258 2.835 10 0 GFAERN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000183597282 552314138 /nfs/dbraw/zinc/31/41/38/552314138.db2.gz GDIIBDNIUQIRMC-OCCSQVGLSA-N 0 0 385.251 2.708 10 0 GFAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)/C=C/c1cccc(Cl)c1)CC2 ZINC000184155357 552328401 /nfs/dbraw/zinc/32/84/01/552328401.db2.gz QAOISEFXVMRVST-XVJNWHFHSA-N 0 0 380.901 2.960 10 0 GFAERN CCCCN1CCOC[C@@H]1C(=O)NCCc1ccc(Br)s1 ZINC000184322505 552332909 /nfs/dbraw/zinc/33/29/09/552332909.db2.gz VAQOIJUPXBJNBW-CYBMUJFWSA-N 0 0 375.332 2.670 10 0 GFAERN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC[C@H](C)O3)C2=O)ccc1Br ZINC000184631009 552340549 /nfs/dbraw/zinc/34/05/49/552340549.db2.gz WBEZIYHAAZNWRM-CQDKDKBSSA-N 0 0 381.270 2.547 10 0 GFAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCS[C@H](C)C1 ZINC000184662432 552341432 /nfs/dbraw/zinc/34/14/32/552341432.db2.gz MDYWMIZFQXAOSC-SNVBAGLBSA-N 0 0 387.299 2.669 10 0 GFAERN CCN1CC[C@H](NC(=O)NCC(F)(F)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185118296 552354877 /nfs/dbraw/zinc/35/48/77/552354877.db2.gz LZTBMPMYDYNHJV-KBPBESRZSA-N 0 0 379.810 2.541 10 0 GFAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br ZINC000185773320 552370213 /nfs/dbraw/zinc/37/02/13/552370213.db2.gz KYKNBDWPSIWVGQ-SKDRFNHKSA-N 0 0 397.269 2.868 10 0 GFAERN C[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)c1cccc(Br)c1 ZINC000187195650 552408867 /nfs/dbraw/zinc/40/88/67/552408867.db2.gz RXJKRNCLDZLPRH-MFKMUULPSA-N 0 0 377.229 2.592 10 0 GFAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000187207416 552409284 /nfs/dbraw/zinc/40/92/84/552409284.db2.gz HYBNSVUVLPDGID-MFKMUULPSA-N 0 0 387.249 2.502 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(C)c(Br)c1)CC2 ZINC000187996503 552430548 /nfs/dbraw/zinc/43/05/48/552430548.db2.gz GAIJRKPGOCNBOX-ZDUSSCGKSA-N 0 0 377.286 2.585 10 0 GFAERN C[C@H](NC(=O)Cc1ccc(F)cc1Br)c1nnc2n1CCCC2 ZINC000188223645 552439712 /nfs/dbraw/zinc/43/97/12/552439712.db2.gz TWVRDKIYGDKELB-JTQLQIEISA-N 0 0 381.249 2.936 10 0 GFAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000188549145 552447633 /nfs/dbraw/zinc/44/76/33/552447633.db2.gz YXGOGUVSJHEAAR-UHFFFAOYSA-N 0 0 380.853 2.641 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3nc(Br)cs3)C2)n1 ZINC000188875022 552457510 /nfs/dbraw/zinc/45/75/10/552457510.db2.gz NTCWYJKJIIQTIN-NSHDSACASA-N 0 0 384.303 2.666 10 0 GFAERN C[C@H]1C(=O)NCCCN1C(=O)c1cc(Br)sc1Br ZINC000188948523 552459335 /nfs/dbraw/zinc/45/93/35/552459335.db2.gz FDXLLNWSJVKPQL-LURJTMIESA-N 0 0 396.104 2.624 10 0 GFAERN Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCS[C@@H](C)C1 ZINC000191948034 552543541 /nfs/dbraw/zinc/54/35/41/552543541.db2.gz CZDFSRCQRPQOBP-VIFPVBQESA-N 0 0 375.263 2.799 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cccc(Br)c3F)CCO2)n1 ZINC000192093876 552550141 /nfs/dbraw/zinc/55/01/41/552550141.db2.gz WEKNOGVUEWJXGQ-ZDUSSCGKSA-N 0 0 396.260 2.943 10 0 GFAERN C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1N1CCOCC1 ZINC000192138884 552553032 /nfs/dbraw/zinc/55/30/32/552553032.db2.gz CNNBTVHPLLNCPU-ZUZCIYMTSA-N 0 0 389.240 2.520 10 0 GFAERN COCCN1CCN(C(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1C ZINC000192284403 552558264 /nfs/dbraw/zinc/55/82/64/552558264.db2.gz KXGVNBQENRYXPC-SNVBAGLBSA-N 0 0 392.244 2.912 10 0 GFAERN Cc1c(Br)ccc(NC(=O)C(=O)N2CCS[C@@H](C)C2)c1F ZINC000192883586 552976841 /nfs/dbraw/zinc/97/68/41/552976841.db2.gz CEKDTAQLRBZMME-QMMMGPOBSA-N 0 0 375.263 2.799 10 0 GFAERN CN(Cc1nccn1C(F)F)C[C@@H](O)COc1cccc(Br)c1 ZINC000193798646 553003697 /nfs/dbraw/zinc/00/36/97/553003697.db2.gz HBCAEBQYNLEQIF-GFCCVEGCSA-N 0 0 390.228 2.912 10 0 GFAERN CNC(=O)Cn1cc(NC(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)cn1 ZINC000193898422 553006648 /nfs/dbraw/zinc/00/66/48/553006648.db2.gz VRPCUETYYNYHTJ-MRVPVSSYSA-N 0 0 388.230 2.958 10 0 GFAERN COc1cc(C)c(S(=O)(=O)N2CCO[C@H](c3nc(C)cs3)C2)cc1C ZINC000193949968 553007798 /nfs/dbraw/zinc/00/77/98/553007798.db2.gz NDNKRUAJTTURQF-HNNXBMFYSA-N 0 0 382.507 2.839 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cccc4cccnc43)CCO2)n1 ZINC000193945849 553007808 /nfs/dbraw/zinc/00/78/08/553007808.db2.gz KIYOXZMPTCEPJI-CQSZACIVSA-N 0 0 375.475 2.762 10 0 GFAERN CC(C)(C)c1csc([C@@H]2CN(S(=O)(=O)N3CCCCCC3)CCO2)n1 ZINC000193955268 553008252 /nfs/dbraw/zinc/00/82/52/553008252.db2.gz IKNQOCBHVYZOEI-AWEZNQCLSA-N 0 0 387.571 2.935 10 0 GFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)COc1cccc(Br)c1)CC2 ZINC000195261883 553043185 /nfs/dbraw/zinc/04/31/85/553043185.db2.gz KNYGWTOWCLVONN-ZDUSSCGKSA-N 0 0 393.285 2.674 10 0 GFAERN COC(=O)c1cc2n[nH]c(Br)c2c(I)c1 ZINC000218655576 553053977 /nfs/dbraw/zinc/05/39/77/553053977.db2.gz RBWOZVVDMPLZIR-UHFFFAOYSA-N 0 0 380.967 2.717 10 0 GFAERN CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000226860880 553062154 /nfs/dbraw/zinc/06/21/54/553062154.db2.gz VYBNGBKAQAPUGW-LBPRGKRZSA-N 0 0 376.906 2.827 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1)N1CC[C@H](Oc2ccccn2)C1 ZINC000238830699 553086710 /nfs/dbraw/zinc/08/67/10/553086710.db2.gz FVKVNPXUJLLKDH-ZDUSSCGKSA-N 0 0 383.267 2.686 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238830698 553086871 /nfs/dbraw/zinc/08/68/71/553086871.db2.gz FVKVNPXUJLLKDH-CYBMUJFWSA-N 0 0 383.267 2.686 10 0 GFAERN COCCN1CCN(C(=O)[C@H](C)c2ccc(Br)s2)C[C@@H]1C ZINC000246693307 553111434 /nfs/dbraw/zinc/11/14/34/553111434.db2.gz BQJHAHUHIXKUAH-NWDGAFQWSA-N 0 0 375.332 2.793 10 0 GFAERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246836679 553114501 /nfs/dbraw/zinc/11/45/01/553114501.db2.gz DEZWYISSUBIRHI-GDZNZVCISA-N 0 0 387.307 2.940 10 0 GFAERN O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247671310 553124766 /nfs/dbraw/zinc/12/47/66/553124766.db2.gz PWAIMXKZAGZFLT-BRWVUGGUSA-N 0 0 390.281 2.677 10 0 GFAERN CC(=O)N[C@H](CC(=O)N[C@@H]1CCCC[C@H]1CO)c1ccc(Br)cc1 ZINC000248122631 553127599 /nfs/dbraw/zinc/12/75/99/553127599.db2.gz UQLCISWTUXPSGY-USXIJHARSA-N 0 0 397.313 2.684 10 0 GFAERN COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCO1 ZINC000248058736 553127612 /nfs/dbraw/zinc/12/76/12/553127612.db2.gz XUAQOAOVHXHPBT-ZBINZKHDSA-N 0 0 387.263 2.680 10 0 GFAERN C[C@@H]1CN([C@H](CNS(=O)(=O)Cc2ccccc2)c2cccs2)CCO1 ZINC000248357030 553128857 /nfs/dbraw/zinc/12/88/57/553128857.db2.gz PAMIIXBTCATEQV-NVXWUHKLSA-N 0 0 380.535 2.630 10 0 GFAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000248898956 553136921 /nfs/dbraw/zinc/13/69/21/553136921.db2.gz WHAUKHDRVHFAQJ-KBPBESRZSA-N 0 0 386.901 2.594 10 0 GFAERN O=S(=O)(CCN1CCO[C@@H]2CCCC[C@H]21)c1cccc(Br)c1 ZINC000252652501 553150090 /nfs/dbraw/zinc/15/00/90/553150090.db2.gz QRVXLVTZPZEMQO-HZPDHXFCSA-N 0 0 388.327 2.866 10 0 GFAERN NCc1nc(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)no1 ZINC000262231034 553167310 /nfs/dbraw/zinc/16/73/10/553167310.db2.gz NXCYLRYZFMSILW-ZDUSSCGKSA-N 0 0 384.267 2.828 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000262693251 553174136 /nfs/dbraw/zinc/17/41/36/553174136.db2.gz CTEVQNFHQCKVFQ-UHFFFAOYSA-N 0 0 385.291 2.980 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(Cc2ccc(OC)cc2Br)CC1 ZINC000263527493 553188930 /nfs/dbraw/zinc/18/89/30/553188930.db2.gz UTDAYCLAORADHR-UHFFFAOYSA-N 0 0 385.302 2.829 10 0 GFAERN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000278683998 563266283 /nfs/dbraw/zinc/26/62/83/563266283.db2.gz DMUQLQOLBCEOCM-CYBMUJFWSA-N 0 0 388.917 2.664 10 0 GFAERN Cc1nc([C@H]2CCCN2C(=O)[C@H]2COc3ccc(Br)cc32)no1 ZINC000372855937 563319720 /nfs/dbraw/zinc/31/97/20/563319720.db2.gz KTDFXVFNGUASHJ-QWHCGFSZSA-N 0 0 378.226 2.980 10 0 GFAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000282084623 563397019 /nfs/dbraw/zinc/39/70/19/563397019.db2.gz LRAYYBKSKOLVFW-WRWORJQWSA-N 0 0 390.075 2.609 10 0 GFAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(Br)cc1Br ZINC000282084616 563396808 /nfs/dbraw/zinc/39/68/08/563396808.db2.gz LRAYYBKSKOLVFW-CPCISQLKSA-N 0 0 390.075 2.609 10 0 GFAERN CNS(=O)(=O)c1ccc(N[C@@H]2CCc3cc(Br)ccc32)nc1 ZINC000301245748 563397912 /nfs/dbraw/zinc/39/79/12/563397912.db2.gz OAFFVJCIIXSRMX-CQSZACIVSA-N 0 0 382.283 2.852 10 0 GFAERN CCS(=O)(=O)N1CC(CNc2ccnc3c(Br)cccc23)C1 ZINC000302523992 563425978 /nfs/dbraw/zinc/42/59/78/563425978.db2.gz COYAKQKHDHCESY-UHFFFAOYSA-N 0 0 384.299 2.691 10 0 GFAERN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)C[C@@H]1N1CCOCC1 ZINC000302531029 563426324 /nfs/dbraw/zinc/42/63/24/563426324.db2.gz QHCHSSSCIKAZNV-CJNGLKHVSA-N 0 0 378.929 2.939 10 0 GFAERN COCCN(C[C@H]1CC=CCC1)c1ncnc2c1c(Br)nn2C ZINC000302756113 563429554 /nfs/dbraw/zinc/42/95/54/563429554.db2.gz WSKUSZOWTWSOQX-LBPRGKRZSA-N 0 0 380.290 2.935 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)NC[C@H]1CCn2ccnc2C1 ZINC000328636901 563462623 /nfs/dbraw/zinc/46/26/23/563462623.db2.gz VTZGYQQXSWNWEP-JTQLQIEISA-N 0 0 390.328 2.556 10 0 GFAERN O=C(c1csc(I)c1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398807321 563533790 /nfs/dbraw/zinc/53/37/90/563533790.db2.gz UDFJDEPYTPTYQR-QXEWZRGKSA-N 0 0 377.247 2.586 10 0 GFAERN O=C(c1cccc(F)c1I)N1CCC[C@@H]1CCCO ZINC000537503477 565058794 /nfs/dbraw/zinc/05/87/94/565058794.db2.gz NDOUNGNIGRKMRH-SNVBAGLBSA-N 0 0 377.197 2.807 10 0 GFAERN Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccccc3)[C@H]4C2=O)cc1 ZINC000097964595 570261857 /nfs/dbraw/zinc/26/18/57/570261857.db2.gz YECNWLQNURTIIE-CIEVZJJWSA-N 0 0 388.467 2.593 10 0 GFAERN O=C(NCc1cccnc1)c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O ZINC000034810911 570334091 /nfs/dbraw/zinc/33/40/91/570334091.db2.gz PEWLROQJRJFHRP-UHFFFAOYSA-N 0 0 395.850 2.518 10 0 GFAERN CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)(=O)C2 ZINC000003009353 570526448 /nfs/dbraw/zinc/52/64/48/570526448.db2.gz JQCZWLRSYBEWOG-UHFFFAOYSA-N 0 0 377.466 2.684 10 0 GFAERN C[C@H](NC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1)[C@H]1CCCO1 ZINC000583624080 570801989 /nfs/dbraw/zinc/80/19/89/570801989.db2.gz LXBJTFYGITUEOF-LZLYRXPVSA-N 0 0 375.517 2.691 10 0 GFAERN COc1ccc2c(c1)[C@]1(CCN(C(=O)Nc3cccc(OC)c3)C1)C(=O)N2C ZINC000065249470 570865759 /nfs/dbraw/zinc/86/57/59/570865759.db2.gz CLOKJJJGZYSQME-OAQYLSRUSA-N 0 0 381.432 2.856 10 0 GFAERN CON1C(=O)CCC12CCN(C(=O)Cc1c(C)nn(-c3ccccc3)c1C)CC2 ZINC000072147132 570871987 /nfs/dbraw/zinc/87/19/87/570871987.db2.gz DRIFLMOGOAHEIG-UHFFFAOYSA-N 0 0 396.491 2.577 10 0 GFAERN C[C@H](NC(=O)CCOc1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000031545976 654595427 /nfs/dbraw/zinc/59/54/27/654595427.db2.gz UKSIYZMQSMAMLQ-LBPRGKRZSA-N 0 0 382.869 2.634 10 0 GFAERN CN(C(=O)Cc1ccc(Br)s1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122197271 654731257 /nfs/dbraw/zinc/73/12/57/654731257.db2.gz GOBZVESOFSWQLU-LBPRGKRZSA-N 0 0 395.326 2.971 10 0 GFAERN CN(C)C(=O)[C@H]1CCCN1C(=O)COc1ccc(Br)cc1Cl ZINC000054451953 654760792 /nfs/dbraw/zinc/76/07/92/654760792.db2.gz JWQOJCLYCFQLRX-GFCCVEGCSA-N 0 0 389.677 2.561 10 0 GFAERN C[C@@H](NC(=O)Nc1nnc(C(F)F)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000067586286 654941192 /nfs/dbraw/zinc/94/11/92/654941192.db2.gz DYYIRYXXASRQSD-SSDOTTSWSA-N 0 0 376.410 2.762 10 0 GFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000132725111 654946704 /nfs/dbraw/zinc/94/67/04/654946704.db2.gz BAAMPZPCGKOTQW-OAHLLOKOSA-N 0 0 380.853 2.780 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)C[C@H]1N1CCOCC1 ZINC000132904327 654949030 /nfs/dbraw/zinc/94/90/30/654949030.db2.gz ZSXZIGSGQDAOBZ-IAQYHMDHSA-N 0 0 387.705 2.895 10 0 GFAERN Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000133339494 654961023 /nfs/dbraw/zinc/96/10/23/654961023.db2.gz OGNPYIQWGNOFTB-GFCCVEGCSA-N 0 0 384.299 2.669 10 0 GFAERN CCCn1nccc1NC(=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000134038499 654981313 /nfs/dbraw/zinc/98/13/13/654981313.db2.gz RMIDAKAJFBONTL-LLVKDONJSA-N 0 0 379.258 2.872 10 0 GFAERN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000134343138 654991626 /nfs/dbraw/zinc/99/16/26/654991626.db2.gz DDUAPSNXZDCBGE-JSGCOSHPSA-N 0 0 377.286 2.741 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(C)cc1Br ZINC000070719203 654994144 /nfs/dbraw/zinc/99/41/44/654994144.db2.gz ZRNAWCWPBWVORJ-CYBMUJFWSA-N 0 0 390.299 2.867 10 0 GFAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000072079154 655003240 /nfs/dbraw/zinc/00/32/40/655003240.db2.gz UOIWWOVNAQBOTP-LLVKDONJSA-N 0 0 386.279 2.695 10 0 GFAERN CCCC(=O)N[C@@H]1CCCN(Cc2cnc3ccc(Br)cn23)C1 ZINC000092708166 655015208 /nfs/dbraw/zinc/01/52/08/655015208.db2.gz NVNPJFVABYSVKT-CQSZACIVSA-N 0 0 379.302 2.978 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)Cc3ccccc3I)C2)cn1 ZINC000137895473 655041846 /nfs/dbraw/zinc/04/18/46/655041846.db2.gz NMMVENKJMXBZRU-CYBMUJFWSA-N 0 0 395.244 2.583 10 0 GFAERN CCOC(=O)C1CCN(C(=O)CN[C@@H](C)c2ccccc2Br)CC1 ZINC000102683919 655057907 /nfs/dbraw/zinc/05/79/07/655057907.db2.gz YLLGNWZLNACMKE-ZDUSSCGKSA-N 0 0 397.313 2.901 10 0 GFAERN C[C@@H](CNC(=O)NC1(c2cccc(Br)c2)CCC1)N1CCOCC1 ZINC000103304982 655070835 /nfs/dbraw/zinc/07/08/35/655070835.db2.gz ASUVAWOVDKIIOI-AWEZNQCLSA-N 0 0 396.329 2.848 10 0 GFAERN CCOCCOCC(=O)O[C@@H](C)c1ccc(I)cc1 ZINC000105770377 655098936 /nfs/dbraw/zinc/09/89/36/655098936.db2.gz JAGTVKZCABGSTH-NSHDSACASA-N 0 0 378.206 2.949 10 0 GFAERN CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000106081900 655101999 /nfs/dbraw/zinc/10/19/99/655101999.db2.gz QDIXXGLZKWHBIC-UHFFFAOYSA-N 0 0 379.917 2.726 10 0 GFAERN CCOCCN1CCN(CC(=O)Nc2ccc(Br)c(C)c2)C[C@@H]1C ZINC000106111649 655103189 /nfs/dbraw/zinc/10/31/89/655103189.db2.gz YXODYJYMWRXXMQ-HNNXBMFYSA-N 0 0 398.345 2.739 10 0 GFAERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3Cl)CCO2)c1 ZINC000106198032 655104731 /nfs/dbraw/zinc/10/47/31/655104731.db2.gz FTDKWKYSORKLMD-AWEZNQCLSA-N 0 0 383.279 2.838 10 0 GFAERN Cc1cnn([C@@H]2CCCN(C(=O)c3sccc3S(=O)(=O)C(F)F)C2)c1 ZINC000108278631 655130702 /nfs/dbraw/zinc/13/07/02/655130702.db2.gz GAOVGPVWXSKLHW-LLVKDONJSA-N 0 0 389.449 2.727 10 0 GFAERN O=C(c1cc(F)ccc1Br)N1CCCN(c2cccnn2)CC1 ZINC000109632305 655149352 /nfs/dbraw/zinc/14/93/52/655149352.db2.gz WARZJMGGCBHTAO-UHFFFAOYSA-N 0 0 379.233 2.731 10 0 GFAERN O=C(COc1ccc(Br)cc1Cl)N1CCC[C@@H](n2cncn2)C1 ZINC000109679695 655150495 /nfs/dbraw/zinc/15/04/95/655150495.db2.gz DTQNXNLIHZAWGW-GFCCVEGCSA-N 0 0 399.676 2.937 10 0 GFAERN Cc1nc(C[C@H]2CCCN(Cn3ncn(CC(F)(F)F)c3=S)C2)no1 ZINC000171357934 655151092 /nfs/dbraw/zinc/15/10/92/655151092.db2.gz HUAHZVOXUWBSDL-LLVKDONJSA-N 0 0 376.408 2.580 10 0 GFAERN O=C(CCc1ccccc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111081186 655164213 /nfs/dbraw/zinc/16/42/13/655164213.db2.gz HCNFZNIOCRFZJC-OAHLLOKOSA-N 0 0 378.270 2.506 10 0 GFAERN C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1Br ZINC000173766343 655180633 /nfs/dbraw/zinc/18/06/33/655180633.db2.gz FUYYJLSNYKTJDX-ZIAGYGMSSA-N 0 0 382.302 2.626 10 0 GFAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)n1 ZINC000112035717 655181023 /nfs/dbraw/zinc/18/10/23/655181023.db2.gz CUIYCRHXZVXKPF-JTQLQIEISA-N 0 0 384.267 2.853 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(Br)c(F)c1 ZINC000112254255 655185823 /nfs/dbraw/zinc/18/58/23/655185823.db2.gz CRLVEWAJHHCZKK-CYBMUJFWSA-N 0 0 394.262 2.698 10 0 GFAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000173928468 655186247 /nfs/dbraw/zinc/18/62/47/655186247.db2.gz OKFAZWLBLOEDNG-NSHDSACASA-N 0 0 376.425 2.643 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(Br)ccc1F)CC2 ZINC000114907395 655230226 /nfs/dbraw/zinc/23/02/26/655230226.db2.gz QMPSCGGYJIGOEZ-SNVBAGLBSA-N 0 0 382.237 2.879 10 0 GFAERN O=C(CCNC(=O)N[C@H]1CCCC[C@H]1CO)Nc1ccc(Br)cc1 ZINC000175988090 655231608 /nfs/dbraw/zinc/23/16/08/655231608.db2.gz KVGNLRTZUVRINS-WFASDCNBSA-N 0 0 398.301 2.628 10 0 GFAERN Cn1cc([C@H]2[C@H](C(=O)Oc3cccc(Br)c3)CCC(=O)N2C)cn1 ZINC000115201996 655233251 /nfs/dbraw/zinc/23/32/51/655233251.db2.gz FOILGLLTXGUVDF-ZBFHGGJFSA-N 0 0 392.253 2.698 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1ccc(Br)c(C)c1)CC2 ZINC000176085295 655234723 /nfs/dbraw/zinc/23/47/23/655234723.db2.gz PLYVJAWNIWCWSR-AWEZNQCLSA-N 0 0 391.313 2.975 10 0 GFAERN CNS(=O)(=O)c1csc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000176166705 655238081 /nfs/dbraw/zinc/23/80/81/655238081.db2.gz TURLZKFOPBIVHL-MRVPVSSYSA-N 0 0 376.862 2.940 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)c3cccc(I)c3)C2)cn1 ZINC000116114547 655243939 /nfs/dbraw/zinc/24/39/39/655243939.db2.gz OLCUNGXWRGEIGN-GFCCVEGCSA-N 0 0 381.217 2.654 10 0 GFAERN C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000176453691 655246128 /nfs/dbraw/zinc/24/61/28/655246128.db2.gz VPBNZUZYCWFWMJ-FZMZJTMJSA-N 0 0 378.274 2.806 10 0 GFAERN O=C(c1ccc(Cl)s1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000117311696 655263869 /nfs/dbraw/zinc/26/38/69/655263869.db2.gz ZHGOIDBBTXAESX-AWEZNQCLSA-N 0 0 380.897 2.599 10 0 GFAERN COc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCn3ncnc32)cc1Br ZINC000177373293 655274364 /nfs/dbraw/zinc/27/43/64/655274364.db2.gz VCGURYSSJUAGCZ-ZWNOBZJWSA-N 0 0 394.273 2.945 10 0 GFAERN OC[C@H]1CCCN1c1cc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)ncn1 ZINC000118384563 655275807 /nfs/dbraw/zinc/27/58/07/655275807.db2.gz WDARCICWZMXNKC-HUUCEWRRSA-N 0 0 383.279 2.890 10 0 GFAERN O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177521731 655279448 /nfs/dbraw/zinc/27/94/48/655279448.db2.gz HUAXBBWFROBDAC-LBPRGKRZSA-N 0 0 386.260 2.989 10 0 GFAERN O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177546070 655280669 /nfs/dbraw/zinc/28/06/69/655280669.db2.gz AHJIAXDDHYJUHU-JOYOIKCWSA-N 0 0 378.778 2.965 10 0 GFAERN O=C(/C=C/c1ccc(I)o1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177754278 655287593 /nfs/dbraw/zinc/28/75/93/655287593.db2.gz JSIXXZMMWSAJIY-FVOPLDGLSA-N 0 0 397.216 2.785 10 0 GFAERN Cc1cnn([C@H]2CCCN(C(=O)c3cncc(I)c3)C2)c1 ZINC000119079031 655289247 /nfs/dbraw/zinc/28/92/47/655289247.db2.gz PBWQXYYRJLSWQV-AWEZNQCLSA-N 0 0 396.232 2.668 10 0 GFAERN CNC(=O)[C@H](NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)C(C)C ZINC000178934008 655310577 /nfs/dbraw/zinc/31/05/77/655310577.db2.gz UFNAOSXELHGGQQ-OAHLLOKOSA-N 0 0 384.933 2.785 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(I)ccc1C ZINC000120086275 655327225 /nfs/dbraw/zinc/32/72/25/655327225.db2.gz MIVWABPFKAZQTO-ZDUSSCGKSA-N 0 0 396.232 2.764 10 0 GFAERN C[C@@H](NCC(=O)NC(=O)NCc1ccco1)c1ccccc1Br ZINC000120522966 655337925 /nfs/dbraw/zinc/33/79/25/655337925.db2.gz OYHLKPPSZAMPDL-LLVKDONJSA-N 0 0 380.242 2.719 10 0 GFAERN O=S(=O)(N[C@@H]1COc2ccccc21)c1cc(Br)cc2c1OCC2 ZINC000185929846 655367029 /nfs/dbraw/zinc/36/70/29/655367029.db2.gz NVYOXCNGGMXNJH-CYBMUJFWSA-N 0 0 396.262 2.796 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C/c1ccccc1Br ZINC000328612473 655386845 /nfs/dbraw/zinc/38/68/45/655386845.db2.gz OTVOCVFPWZBMFC-PLWJUESGSA-N 0 0 397.298 2.774 10 0 GFAERN Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@@H](C)[C@H](CO)C2)cc1 ZINC000191835514 655401007 /nfs/dbraw/zinc/40/10/07/655401007.db2.gz YCXKJHKRMAWGJJ-OLZOCXBDSA-N 0 0 378.270 2.644 10 0 GFAERN CCOC(=O)C[C@@H](NC(=O)c1cc(Br)nn1C)c1ccccc1C ZINC000192366532 655404963 /nfs/dbraw/zinc/40/49/63/655404963.db2.gz GYPHAYHTMSWDSV-CYBMUJFWSA-N 0 0 394.269 2.915 10 0 GFAERN COc1cc(C(=O)NCCCN2CCOCC2)cc2oc(Br)cc21 ZINC000223644710 655422231 /nfs/dbraw/zinc/42/22/31/655422231.db2.gz VHETVSHNYUAUGZ-UHFFFAOYSA-N 0 0 397.269 2.656 10 0 GFAERN O=C(Cn1cc(I)cn1)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000223439739 655422325 /nfs/dbraw/zinc/42/23/25/655422325.db2.gz USDCCYJAKJULDG-UHFFFAOYSA-N 0 0 393.188 2.517 10 0 GFAERN CCCCN1CCOC[C@H]1C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000248623176 655432817 /nfs/dbraw/zinc/43/28/17/655432817.db2.gz BOFBJIGQPRLSFD-LSDHHAIUSA-N 0 0 375.296 2.644 10 0 GFAERN O=S(=O)(/C=C\c1cccc(Br)c1)N1CCC[C@H](n2cncn2)C1 ZINC000255188334 655437663 /nfs/dbraw/zinc/43/76/63/655437663.db2.gz NWULPACXDPADFJ-LYASGUKUSA-N 0 0 397.298 2.678 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263461956 655451921 /nfs/dbraw/zinc/45/19/21/655451921.db2.gz BYGYTBKLMXNGLL-UHFFFAOYSA-N 0 0 397.313 2.755 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(C)cc2Br)C1 ZINC000263495549 655452321 /nfs/dbraw/zinc/45/23/21/655452321.db2.gz QPVPHCAFXSWPCO-UHFFFAOYSA-N 0 0 384.274 2.817 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C\c1ccccc1Br ZINC000751253787 655824039 /nfs/dbraw/zinc/82/40/39/655824039.db2.gz OTVOCVFPWZBMFC-GDAGCXPBSA-N 0 0 397.298 2.774 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C\c1ccccc1Cl ZINC000886048128 663102659 /nfs/dbraw/zinc/10/26/59/663102659.db2.gz VCOHPXVVXSQRDB-QQBNSCQMSA-N 0 0 382.873 2.503 10 0 GFAERN CSc1cc(NC(=O)N2CCCN(Cc3csc(C)n3)CC2)ncn1 ZINC000888963904 663227088 /nfs/dbraw/zinc/22/70/88/663227088.db2.gz IVRWCKWBQJCGPY-UHFFFAOYSA-N 0 0 378.527 2.703 10 0 GFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3nc(Br)c[nH]3)C[C@H]21 ZINC000893568318 663415945 /nfs/dbraw/zinc/41/59/45/663415945.db2.gz UBXBQNGZEULSIK-QJPTWQEYSA-N 0 0 385.306 2.907 10 0 GFAERN CCOC(=O)c1ncc(Br)c(N2CCC[C@H](c3cc(C)[nH]n3)C2)n1 ZINC000893710452 663421747 /nfs/dbraw/zinc/42/17/47/663421747.db2.gz GIQIADKDCUBNHM-NSHDSACASA-N 0 0 394.273 2.831 10 0 GFAERN C[C@H](C(=O)N[C@H]1CCc2ncsc2C1)N1C(=S)N=NC1c1cccs1 ZINC000910832476 664229144 /nfs/dbraw/zinc/22/91/44/664229144.db2.gz ALUONOAUOFDGSF-ZJUUUORDSA-N 0 0 391.547 2.987 10 0 GFAERN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@@H]1CCOC1 ZINC000929740818 664757100 /nfs/dbraw/zinc/75/71/00/664757100.db2.gz CCXHTUKBQNJMCO-OJLMPMFISA-N 0 0 380.853 2.529 10 0 GFAERN CCCCOc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1 ZINC000224154838 222651038 /nfs/dbraw/zinc/65/10/38/222651038.db2.gz VZJBKGJTRRBIMP-UHFFFAOYSA-N 0 0 390.509 2.734 10 0 GFAERN CC(C)(C)c1ccnc(N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccccc4)CO[C@H]23)n1 ZINC000006137866 291119227 /nfs/dbraw/zinc/11/92/27/291119227.db2.gz HZAOIVKKILWNCS-BURFUSLBSA-N 0 0 398.463 2.970 10 0 GFAERN Cc1cccc(-c2ccnc3c(C(=O)N4CCC5(CC4)OCCO5)cnn32)c1 ZINC000004356369 220710679 /nfs/dbraw/zinc/71/06/79/220710679.db2.gz VZTVGMUEFCLVFC-UHFFFAOYSA-N 0 0 378.432 2.684 10 0 GFAERN O=S(=O)(Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000005888611 220906107 /nfs/dbraw/zinc/90/61/07/220906107.db2.gz CYQXDLHXBSMQJW-SSDOTTSWSA-N 0 0 378.686 2.576 10 0 GFAERN COC(=O)[C@](NC(=O)c1ccccc1OC)(Nc1ncccc1C)C(F)(F)F ZINC000006090730 220919583 /nfs/dbraw/zinc/91/95/83/220919583.db2.gz PHZBVKMSYCBOMI-QGZVFWFLSA-N 0 0 397.353 2.672 10 0 GFAERN CCn1c2ccccc2nc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O ZINC000008594776 221045912 /nfs/dbraw/zinc/04/59/12/221045912.db2.gz CDCNMHVPXAEDBG-UHFFFAOYSA-N 0 0 383.404 2.695 10 0 GFAERN Cc1ccc(S(=O)(=O)NCCNc2ccc(Nc3ccccn3)nn2)cc1C ZINC000011697421 221123581 /nfs/dbraw/zinc/12/35/81/221123581.db2.gz UXSBHTYNPJNRTC-UHFFFAOYSA-N 0 0 398.492 2.622 10 0 GFAERN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)C1=O ZINC000012021420 221144110 /nfs/dbraw/zinc/14/41/10/221144110.db2.gz QGWCCHYKUJDEOY-JTQLQIEISA-N 0 0 380.372 2.530 10 0 GFAERN COc1ccccc1[C@@]1(CC(=O)N(C)C(C)C)CC(=O)N(C2CCCC2)C1=O ZINC000012184096 221163889 /nfs/dbraw/zinc/16/38/89/221163889.db2.gz BSXIPPGQJWYUPV-JOCHJYFZSA-N 0 0 386.492 2.891 10 0 GFAERN Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)Nc1ccccc1 ZINC000012207966 221167489 /nfs/dbraw/zinc/16/74/89/221167489.db2.gz YCBYUDQLGHLXMD-UHFFFAOYSA-N 0 0 380.491 2.726 10 0 GFAERN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cc4ccncc4)C3)C2=O)c1 ZINC000012448223 221196672 /nfs/dbraw/zinc/19/66/72/221196672.db2.gz KMEXMUSACNKGHY-QHCPKHFHSA-N 0 0 377.488 2.974 10 0 GFAERN Cc1nn(CCCNS(=O)(=O)Cc2ccccc2)c(C)c1Br ZINC000014247447 221306877 /nfs/dbraw/zinc/30/68/77/221306877.db2.gz MQHIVUGXEGVRDF-UHFFFAOYSA-N 0 0 386.315 2.772 10 0 GFAERN Cc1cccc(C(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)c1 ZINC000019144519 221399198 /nfs/dbraw/zinc/39/91/98/221399198.db2.gz SBKRBEMSTQHJAK-GOSISDBHSA-N 0 0 381.480 2.564 10 0 GFAERN Cn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC000020865098 221514052 /nfs/dbraw/zinc/51/40/52/221514052.db2.gz UOZFSUCEDCQGLC-UHFFFAOYSA-N 0 0 393.509 2.810 10 0 GFAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1N1CCN(c2ccccn2)CC1 ZINC000040779555 132405791 /nfs/dbraw/zinc/40/57/91/132405791.db2.gz OAOBZRSUVYQEQN-UHFFFAOYSA-N 0 0 382.859 2.572 10 0 GFAERN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCCc2ccccc21 ZINC000039192908 136153709 /nfs/dbraw/zinc/15/37/09/136153709.db2.gz BIILFLCCKOYKGM-LJQANCHMSA-N 0 0 384.432 2.557 10 0 GFAERN O=C(c1cccc(-n2nnc3cccnc32)c1)N1CCN(c2ccccc2)CC1 ZINC000064925316 136158171 /nfs/dbraw/zinc/15/81/71/136158171.db2.gz GBSLAEBXSIBMOY-UHFFFAOYSA-N 0 0 384.443 2.778 10 0 GFAERN COc1cc(NC(=O)Cn2c3cc(C)nn3c3ccccc3c2=O)cc(OC)c1 ZINC000032909153 221749006 /nfs/dbraw/zinc/74/90/06/221749006.db2.gz DQJVBPIEBRGGQR-UHFFFAOYSA-N 0 0 392.415 2.614 10 0 GFAERN CN1CC(=O)N(CC(=O)Nc2cccc3c2CCCC3)c2ccccc2C1=O ZINC000033086315 221770633 /nfs/dbraw/zinc/77/06/33/221770633.db2.gz PWDXXGOVQPQZHL-UHFFFAOYSA-N 0 0 377.444 2.623 10 0 GFAERN CC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NC2CC2)c1 ZINC000036218299 221848311 /nfs/dbraw/zinc/84/83/11/221848311.db2.gz MFCALRPEFHQRIK-WOJBJXKFSA-N 0 0 393.443 2.986 10 0 GFAERN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)cc2)CN1CCCc1ccccc1 ZINC000055326875 222020566 /nfs/dbraw/zinc/02/05/66/222020566.db2.gz NMJYNCLQOOCGBQ-RTWAWAEBSA-N 0 0 380.488 2.974 10 0 GFAERN CC1CCN(C(=O)Cn2c(=O)cccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000065150259 222104163 /nfs/dbraw/zinc/10/41/63/222104163.db2.gz FWLLLGLFELINKC-UHFFFAOYSA-N 0 0 378.432 2.824 10 0 GFAERN CC(=O)N1CCC(C(=O)NCc2c(-c3ccccc3)nc3sc(C)nn23)CC1 ZINC000065217174 222111503 /nfs/dbraw/zinc/11/15/03/222111503.db2.gz SFIAJJVKHBAHTA-UHFFFAOYSA-N 0 0 397.504 2.641 10 0 GFAERN CC(C)OC(=O)N[C@H](Cc1cn(C(C)C)cn1)C(=O)NCCc1ccccc1 ZINC000063772350 222067402 /nfs/dbraw/zinc/06/74/02/222067402.db2.gz QGZMZGFOWLGKHZ-LJQANCHMSA-N 0 0 386.496 2.869 10 0 GFAERN CCNC(=O)NCCn1cnc2cc(C(=O)Nc3cc(F)ccc3F)ccc21 ZINC000064612552 222077089 /nfs/dbraw/zinc/07/70/89/222077089.db2.gz SOHVPDQLCGGZSY-UHFFFAOYSA-N 0 0 387.390 2.886 10 0 GFAERN O=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)N1CCc2ccccc21 ZINC000065240252 222114678 /nfs/dbraw/zinc/11/46/78/222114678.db2.gz VOUGZCZGYHEDBF-UHFFFAOYSA-N 0 0 385.427 2.511 10 0 GFAERN COc1ccc2c(c1)[C@]1(CCN(C(=O)NCc3ccc(C)cc3)C1)C(=O)N2C ZINC000065249486 222116480 /nfs/dbraw/zinc/11/64/80/222116480.db2.gz LZBODJRBQYXJCL-JOCHJYFZSA-N 0 0 379.460 2.833 10 0 GFAERN Cc1cc(-n2cccn2)ccc1CN1CCn2nc(C(=O)N3CCCC3)cc2C1 ZINC000065505935 222131852 /nfs/dbraw/zinc/13/18/52/222131852.db2.gz MGXONGXGKGLANG-UHFFFAOYSA-N 0 0 390.491 2.629 10 0 GFAERN CN1CCNC(=O)C12CCN(c1nc(-c3ccccc3)nc3ccccc31)CC2 ZINC000067643638 222152749 /nfs/dbraw/zinc/15/27/49/222152749.db2.gz GPMHULAEKBYFHG-UHFFFAOYSA-N 0 0 387.487 2.697 10 0 GFAERN COC(=O)[C@H](NCc1c(C)n(CC(N)=O)c2ccccc12)c1cccc(C)c1 ZINC000067677205 222153703 /nfs/dbraw/zinc/15/37/03/222153703.db2.gz ZSOZLGYYZBEYTI-OAQYLSRUSA-N 0 0 379.460 2.747 10 0 GFAERN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)c1C ZINC000085620668 222325979 /nfs/dbraw/zinc/32/59/79/222325979.db2.gz AQHMLSMBDAKICI-HNNXBMFYSA-N 0 0 389.496 2.719 10 0 GFAERN CN(C(=O)c1cccc2c1OCCO2)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074141 222329177 /nfs/dbraw/zinc/32/91/77/222329177.db2.gz QPEOOVDBRSRJSX-AWEZNQCLSA-N 0 0 376.453 2.929 10 0 GFAERN Cc1cnc(S(=O)(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)nc1Cl ZINC000095089659 222330361 /nfs/dbraw/zinc/33/03/61/222330361.db2.gz XVMQPMKQQHDOCP-UHFFFAOYSA-N 0 0 389.905 2.859 10 0 GFAERN O=C(NC1CC1)c1cn([C@@H]2CC[C@H](NC(=O)c3cccc(Cl)c3)CC2)nn1 ZINC000244873544 527496996 /nfs/dbraw/zinc/49/69/96/527496996.db2.gz WRXWXWBVBQNJJX-IYBDPMFKSA-N 0 0 387.871 2.737 10 0 GFAERN CCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3cn(C)nc3C)C2)ncn1 ZINC000065245112 535521332 /nfs/dbraw/zinc/52/13/32/535521332.db2.gz LSZHHAQFBOHKNB-DOTOQJQBSA-N 0 0 399.543 2.824 10 0 GFAERN CC(C)[C@H](C)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000017055743 551112497 /nfs/dbraw/zinc/11/24/97/551112497.db2.gz STUNCOBHPQQPCF-NSHDSACASA-N 0 0 381.270 2.986 10 0 GFAERN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1 ZINC000026244053 551120850 /nfs/dbraw/zinc/12/08/50/551120850.db2.gz GHYPQPJPYYTMED-CQSZACIVSA-N 0 0 379.507 2.525 10 0 GFAERN C[C@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000028409669 551123902 /nfs/dbraw/zinc/12/39/02/551123902.db2.gz CDEHYQOEWIWZRB-JTQLQIEISA-N 0 0 387.914 2.652 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000028499428 551124281 /nfs/dbraw/zinc/12/42/81/551124281.db2.gz WZNJVPMZCTWHCI-CABCVRRESA-N 0 0 386.514 2.683 10 0 GFAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)o1 ZINC000115867839 551210009 /nfs/dbraw/zinc/21/00/09/551210009.db2.gz SNVZQFGGDXHEKX-NDHGSNPTSA-N 0 0 382.869 2.936 10 0 GFAERN Cc1ccc([C@@H](C)NC(=O)c2nc3ncc(Br)cn3n2)cc1F ZINC000119430005 551216116 /nfs/dbraw/zinc/21/61/16/551216116.db2.gz FSVZIYDDFGROCX-SECBINFHSA-N 0 0 378.205 2.825 10 0 GFAERN CCOc1cc(CN2CC[C@@H](N3CCOCC3)C2)cc(Br)c1OC ZINC000121028876 551225791 /nfs/dbraw/zinc/22/57/91/551225791.db2.gz PNCUTFONYSSOLP-OAHLLOKOSA-N 0 0 399.329 2.763 10 0 GFAERN COc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1I ZINC000121648526 551238593 /nfs/dbraw/zinc/23/85/93/551238593.db2.gz UHXNWBCWOFAKFP-UWVGGRQHSA-N 0 0 375.206 2.549 10 0 GFAERN Cc1[nH]c(=O)c(C(=O)N2CCO[C@H](c3nccs3)C2)cc1Br ZINC000127000915 551335854 /nfs/dbraw/zinc/33/58/54/551335854.db2.gz LFPYVTYOYXDLPM-NSHDSACASA-N 0 0 384.255 2.528 10 0 GFAERN CC(C)N(CCS(C)(=O)=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000128286525 551348751 /nfs/dbraw/zinc/34/87/51/551348751.db2.gz QXLLNUUBPNTKQK-GFCCVEGCSA-N 0 0 391.331 2.975 10 0 GFAERN CNS(=O)(=O)c1csc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000128799077 551352807 /nfs/dbraw/zinc/35/28/07/551352807.db2.gz NBERZFGMFDQUIY-CYBMUJFWSA-N 0 0 392.424 2.560 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C)c1Br ZINC000128979979 551353992 /nfs/dbraw/zinc/35/39/92/551353992.db2.gz FFJXDDCCZYQMAR-GFCCVEGCSA-N 0 0 379.258 2.760 10 0 GFAERN O=C(c1cc(Cl)cc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000130578665 551366952 /nfs/dbraw/zinc/36/69/52/551366952.db2.gz BQMKVLIVJPPLKH-CQSZACIVSA-N 0 0 384.661 2.840 10 0 GFAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccnc(Cl)c1I ZINC000131028415 551371685 /nfs/dbraw/zinc/37/16/85/551371685.db2.gz IUWYPYYAVXXDME-PSASIEDQSA-N 0 0 394.640 2.621 10 0 GFAERN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@@H](C)COC[C@@H]2C)c1 ZINC000131097650 551372358 /nfs/dbraw/zinc/37/23/58/551372358.db2.gz SBOXXQIYLQWKJS-STQMWFEESA-N 0 0 388.917 2.618 10 0 GFAERN C[C@@H](NC(=O)CCC(=O)N1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000131154816 551372891 /nfs/dbraw/zinc/37/28/91/551372891.db2.gz PSPZZXCKJFSDLK-SNVBAGLBSA-N 0 0 377.243 2.949 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(I)cc1 ZINC000151230841 551409324 /nfs/dbraw/zinc/40/93/24/551409324.db2.gz QDHTWHYTBDCKMO-GFCCVEGCSA-N 0 0 396.232 2.710 10 0 GFAERN CCc1nnc([C@H]2CN(C(=O)Nc3ccc(Br)cc3F)CCO2)[nH]1 ZINC000151992409 551424452 /nfs/dbraw/zinc/42/44/52/551424452.db2.gz ZLXWJEKKHXJLNG-GFCCVEGCSA-N 0 0 398.236 2.874 10 0 GFAERN COCCN1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@H]1C ZINC000152472596 551433767 /nfs/dbraw/zinc/43/37/67/551433767.db2.gz QLXCJDDFJKXUJB-CYBMUJFWSA-N 0 0 394.313 2.652 10 0 GFAERN C[C@H](CC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000154036179 551465925 /nfs/dbraw/zinc/46/59/25/551465925.db2.gz PAZUOZYFYITYAO-RHSMWYFYSA-N 0 0 381.314 2.876 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1F)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000154516642 551477194 /nfs/dbraw/zinc/47/71/94/551477194.db2.gz NUNYUXCDZVZYQQ-QWHCGFSZSA-N 0 0 378.263 2.920 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000154989481 551488205 /nfs/dbraw/zinc/48/82/05/551488205.db2.gz CPYWPUHIWJAAPS-ZQIUZPCESA-N 0 0 396.329 2.878 10 0 GFAERN O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000155063546 551490112 /nfs/dbraw/zinc/49/01/12/551490112.db2.gz QISCQKLBDAPSLQ-CYBMUJFWSA-N 0 0 376.862 2.839 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1ccc(Br)cc1 ZINC000155088156 551491127 /nfs/dbraw/zinc/49/11/27/551491127.db2.gz XLTLRGZBDQIKOF-AWEZNQCLSA-N 0 0 393.285 2.771 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)cc1C ZINC000155194445 551494210 /nfs/dbraw/zinc/49/42/10/551494210.db2.gz AMGNQWQYCVGSSA-CYBMUJFWSA-N 0 0 379.258 2.760 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Br)ccc1F ZINC000155422435 551499315 /nfs/dbraw/zinc/49/93/15/551499315.db2.gz QWWGLYUWOZPIKC-LBPRGKRZSA-N 0 0 383.221 2.591 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C)c(Br)cc1C)CC2 ZINC000156924284 551530626 /nfs/dbraw/zinc/53/06/26/551530626.db2.gz OAIUNHMWPQZZSO-LBPRGKRZSA-N 0 0 377.286 2.965 10 0 GFAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)c(F)cc1I ZINC000157437099 551538007 /nfs/dbraw/zinc/53/80/07/551538007.db2.gz WQGLFNRVYIVTDV-HTQZYQBOSA-N 0 0 381.160 2.819 10 0 GFAERN O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)[C@H]1CNC(=O)C1 ZINC000158414422 551551932 /nfs/dbraw/zinc/55/19/32/551551932.db2.gz QLQCOFOEMOWKKD-DYVFJYSZSA-N 0 0 391.240 2.930 10 0 GFAERN O=S(=O)(c1cc(F)cc(F)c1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158491001 551552817 /nfs/dbraw/zinc/55/28/17/551552817.db2.gz OFPOPFKBRBGZFE-BLLLJJGKSA-N 0 0 375.343 2.740 10 0 GFAERN CC[C@H](CNC(=O)N1CCC[C@@H]1C(=O)NC)Cc1cccc(Br)c1 ZINC000158767941 551556406 /nfs/dbraw/zinc/55/64/06/551556406.db2.gz RWLKVCJNCHXFJW-XJKSGUPXSA-N 0 0 396.329 2.938 10 0 GFAERN O=C(NCC1(c2cccc(Br)c2)CCCCC1)[C@H]1COCCN1 ZINC000161694352 551597646 /nfs/dbraw/zinc/59/76/46/551597646.db2.gz YWLFDCROFFNVKW-MRXNPFEDSA-N 0 0 381.314 2.756 10 0 GFAERN COc1c(CN2CCN(Cc3ccc(Br)s3)CC2)c(C)nn1C ZINC000162762908 551612707 /nfs/dbraw/zinc/61/27/07/551612707.db2.gz ALOCAPLXXLGTNO-UHFFFAOYSA-N 0 0 399.358 2.879 10 0 GFAERN C[C@@H](NC(=O)N1CCN(c2cccnn2)CC1)c1ccccc1Br ZINC000171178029 551649045 /nfs/dbraw/zinc/64/90/45/551649045.db2.gz ORRGAGHTHBKCOU-CYBMUJFWSA-N 0 0 390.285 2.832 10 0 GFAERN CCn1cc(Br)cc1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000171299898 551651893 /nfs/dbraw/zinc/65/18/93/551651893.db2.gz YEURCPPYVUAUMZ-LBPRGKRZSA-N 0 0 380.290 2.730 10 0 GFAERN Cn1c(CN(CCO)Cc2cc(Br)ccc2F)nnc1C1CC1 ZINC000171384025 551654254 /nfs/dbraw/zinc/65/42/54/551654254.db2.gz DGRCKJWABZJTMX-UHFFFAOYSA-N 0 0 383.265 2.589 10 0 GFAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCS[C@H](C)C1 ZINC000171469083 551656322 /nfs/dbraw/zinc/65/63/22/551656322.db2.gz IFRHUICFIDGJKK-SNVBAGLBSA-N 0 0 387.299 2.750 10 0 GFAERN O=C(CN1CCC[C@@H](n2cncn2)C1)Nc1ccc(Br)cc1Cl ZINC000171701598 551661556 /nfs/dbraw/zinc/66/15/56/551661556.db2.gz DFKPXVSJVHMMRT-GFCCVEGCSA-N 0 0 398.692 2.970 10 0 GFAERN Cn1cc(Br)cc1C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172418043 551678943 /nfs/dbraw/zinc/67/89/43/551678943.db2.gz CSFDDZKYEMEOTE-UHFFFAOYSA-N 0 0 389.253 2.891 10 0 GFAERN O=C(N1CC[C@@H](N2CCOCC2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000172760615 551686322 /nfs/dbraw/zinc/68/63/22/551686322.db2.gz SXKLHPCXLAUBKZ-QGZVFWFLSA-N 0 0 393.325 2.804 10 0 GFAERN O=C(CCCc1ccc(Br)s1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172761046 551686531 /nfs/dbraw/zinc/68/65/31/551686531.db2.gz DGLRRNOHLKLNBA-CYBMUJFWSA-N 0 0 387.343 2.766 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000173105599 551695938 /nfs/dbraw/zinc/69/59/38/551695938.db2.gz DQWDLFADNSTOBY-NWDGAFQWSA-N 0 0 375.332 2.529 10 0 GFAERN C[C@H](C(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccc(Br)s1 ZINC000173334049 552083341 /nfs/dbraw/zinc/08/33/41/552083341.db2.gz NVRWSOVFZBEBAY-NWDGAFQWSA-N 0 0 384.299 2.738 10 0 GFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(Br)cn1C(C)C)CC2 ZINC000173478075 552086102 /nfs/dbraw/zinc/08/61/02/552086102.db2.gz QDGAZADQBNNAFJ-GFCCVEGCSA-N 0 0 380.290 2.730 10 0 GFAERN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000173856807 552094617 /nfs/dbraw/zinc/09/46/17/552094617.db2.gz KIVMNEAKJCGIPG-KGLIPLIRSA-N 0 0 393.285 2.747 10 0 GFAERN C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1cccc(-n2ccnc2)c1 ZINC000173953422 552095874 /nfs/dbraw/zinc/09/58/74/552095874.db2.gz CTOVSBUOZLOEHE-LLVKDONJSA-N 0 0 387.237 2.814 10 0 GFAERN C[C@H]1CN([C@@H](CNS(=O)(=O)c2cccc(F)c2)c2cccs2)CCO1 ZINC000175221735 552118389 /nfs/dbraw/zinc/11/83/89/552118389.db2.gz BUNZSZJTIJHHMC-BBRMVZONSA-N 0 0 384.498 2.628 10 0 GFAERN C[C@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)[C@H]1CCCO1 ZINC000176678820 552143790 /nfs/dbraw/zinc/14/37/90/552143790.db2.gz YEVLJKDNGFONPM-XHDPSFHLSA-N 0 0 388.917 2.714 10 0 GFAERN Cc1cc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1Br ZINC000177691460 552157051 /nfs/dbraw/zinc/15/70/51/552157051.db2.gz YTDYBXDGNBIMMR-XJKSGUPXSA-N 0 0 382.302 2.942 10 0 GFAERN C[C@@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N1CCC(C(N)=O)CC1 ZINC000179542656 552196057 /nfs/dbraw/zinc/19/60/57/552196057.db2.gz WGDAPQNENXWFQA-VHSXEESVSA-N 0 0 390.286 2.896 10 0 GFAERN CCOc1cc(Cl)ccc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000179950158 552208067 /nfs/dbraw/zinc/20/80/67/552208067.db2.gz JHTZUPNAQRYCFC-LLVKDONJSA-N 0 0 382.869 2.877 10 0 GFAERN CCc1nnc(CS(=O)(=O)Cc2cc(Br)ccc2Cl)n1C ZINC000180057337 552211796 /nfs/dbraw/zinc/21/17/96/552211796.db2.gz OGKCIWRCCVGTTQ-UHFFFAOYSA-N 0 0 392.706 2.908 10 0 GFAERN O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC(c2cc[nH]n2)CC1 ZINC000180316925 552222500 /nfs/dbraw/zinc/22/25/00/552222500.db2.gz HYLACWHWHBUBRK-UHFFFAOYSA-N 0 0 381.326 2.674 10 0 GFAERN CC[C@H](CSC)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000180579772 552230039 /nfs/dbraw/zinc/23/00/39/552230039.db2.gz ASVZXLGRFBPEEX-MLGOLLRUSA-N 0 0 377.535 2.941 10 0 GFAERN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180970566 552242117 /nfs/dbraw/zinc/24/21/17/552242117.db2.gz LZCUDSKMGTTXFL-LLVKDONJSA-N 0 0 375.281 2.686 10 0 GFAERN COc1ccc(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)nc1Br ZINC000181036317 552243435 /nfs/dbraw/zinc/24/34/35/552243435.db2.gz XKWYEBINKCUZOT-NSHDSACASA-N 0 0 395.257 2.639 10 0 GFAERN COC(=O)C1(CNC(=O)N[C@@H](C)c2cccc(Br)c2)CCOCC1 ZINC000181559073 552261145 /nfs/dbraw/zinc/26/11/45/552261145.db2.gz YWZBZJSANBWNDB-LBPRGKRZSA-N 0 0 399.285 2.779 10 0 GFAERN C[C@@H](NC(=O)CN[C@@H](C)c1ccccc1Br)C(=O)N1CCCCC1 ZINC000181572600 552261237 /nfs/dbraw/zinc/26/12/37/552261237.db2.gz ARBSYRMRPFLLDJ-UONOGXRCSA-N 0 0 396.329 2.617 10 0 GFAERN COC(=O)C[C@H](NC(=O)N[C@@H]1CCCOCC1)c1cccc(Br)c1 ZINC000181646606 552264120 /nfs/dbraw/zinc/26/41/20/552264120.db2.gz QBDCBJMSDFMCAV-CABCVRRESA-N 0 0 399.285 2.922 10 0 GFAERN COCCN1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@H]1C ZINC000182553539 552287093 /nfs/dbraw/zinc/28/70/93/552287093.db2.gz DPLSUYHXFDZHGC-SNVBAGLBSA-N 0 0 392.244 2.912 10 0 GFAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1c(Br)cc(F)cc1Br ZINC000183036822 552298984 /nfs/dbraw/zinc/29/89/84/552298984.db2.gz VGGHXRQZKHPFOF-CDUCUWFYSA-N 0 0 394.038 2.814 10 0 GFAERN O=C(Nc1ccc(Cl)cc1OC(F)F)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000183555973 552312977 /nfs/dbraw/zinc/31/29/77/552312977.db2.gz QDHWPRGKFOHIHX-MWLCHTKSSA-N 0 0 376.787 2.547 10 0 GFAERN C[C@H](NC(=O)c1ncc(Br)cc1Br)[C@@H]1CCCO1 ZINC000183996363 552324974 /nfs/dbraw/zinc/32/49/74/552324974.db2.gz BBVABQFYMQPCGR-XVKPBYJWSA-N 0 0 378.064 2.904 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000184762564 552343600 /nfs/dbraw/zinc/34/36/00/552343600.db2.gz BVRKOOPQKQGDNA-GDBMZVCRSA-N 0 0 383.945 2.975 10 0 GFAERN O=C(NCCN1CCOCC1)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000184780728 552344206 /nfs/dbraw/zinc/34/42/06/552344206.db2.gz KYUJWCFPQHAUNK-WBVHZDCISA-N 0 0 387.307 2.910 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1Cc3cccc(Br)c3C1)CC2 ZINC000185397928 552362296 /nfs/dbraw/zinc/36/22/96/552362296.db2.gz VFSRZUXPJOINOG-LBPRGKRZSA-N 0 0 390.285 2.643 10 0 GFAERN C[C@@H](NC(=O)NC(C)(C)COc1ncccc1Br)[C@H]1CCCO1 ZINC000185471549 552363977 /nfs/dbraw/zinc/36/39/77/552363977.db2.gz WAZYPOWADUPWGS-DGCLKSJQSA-N 0 0 386.290 2.868 10 0 GFAERN O=C(NCCCOCCO)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000185575491 552366324 /nfs/dbraw/zinc/36/63/24/552366324.db2.gz OXJRUGWAAVISEJ-HOCLYGCPSA-N 0 0 376.280 2.976 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(Cl)c1 ZINC000186289055 552383761 /nfs/dbraw/zinc/38/37/61/552383761.db2.gz PPOFFXBIXYWDGM-KBPBESRZSA-N 0 0 378.881 2.883 10 0 GFAERN COC(=O)[C@@]1(C)CCCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000186400572 552387175 /nfs/dbraw/zinc/38/71/75/552387175.db2.gz JYVFVLMQVWUPFA-MRXNPFEDSA-N 0 0 376.787 2.907 10 0 GFAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000186619203 552392607 /nfs/dbraw/zinc/39/26/07/552392607.db2.gz JUDMGQDHQIEGCK-UHFFFAOYSA-N 0 0 389.677 2.724 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000186643315 552393506 /nfs/dbraw/zinc/39/35/06/552393506.db2.gz NCLVBBDGIZDBPU-UHFFFAOYSA-N 0 0 384.929 2.971 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000186683727 552394619 /nfs/dbraw/zinc/39/46/19/552394619.db2.gz GMIUUZARDVKYSW-UHFFFAOYSA-N 0 0 385.302 2.829 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3cc(C)cc(Br)c3)CCO2)[nH]1 ZINC000187500777 552416959 /nfs/dbraw/zinc/41/69/59/552416959.db2.gz ACDSKCYWTUHIAF-CYBMUJFWSA-N 0 0 380.246 2.789 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)NCc3cccc(Br)c3)CCO2)cn1 ZINC000187882708 552427165 /nfs/dbraw/zinc/42/71/65/552427165.db2.gz KMFDXCNTBYJCGR-MRXNPFEDSA-N 0 0 393.285 2.949 10 0 GFAERN Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2COc3ccccc32)c1 ZINC000188084501 552434219 /nfs/dbraw/zinc/43/42/19/552434219.db2.gz JKYXYSXGHNDHLS-AWEZNQCLSA-N 0 0 375.222 2.946 10 0 GFAERN CN1CCO[C@H](CNC(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000190546777 552500973 /nfs/dbraw/zinc/50/09/73/552500973.db2.gz JFADNZNXMPGLLO-QGZVFWFLSA-N 0 0 396.329 2.701 10 0 GFAERN C[C@H]1OCCC[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000191051291 552517458 /nfs/dbraw/zinc/51/74/58/552517458.db2.gz XEYRYOFMIFFNRN-MWLCHTKSSA-N 0 0 379.263 2.827 10 0 GFAERN Cc1csc(C(=O)NC[C@H]2CCCC[C@H]2O)c1I ZINC000191751886 552537107 /nfs/dbraw/zinc/53/71/07/552537107.db2.gz CWKKAMWVICYECF-NXEZZACHSA-N 0 0 379.263 2.942 10 0 GFAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000191932095 552543444 /nfs/dbraw/zinc/54/34/44/552543444.db2.gz CXLBVGIREGTWEA-KOLCDFICSA-N 0 0 376.272 2.606 10 0 GFAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000192077597 552549821 /nfs/dbraw/zinc/54/98/21/552549821.db2.gz XUOSMGFAWNTDLZ-LLVKDONJSA-N 0 0 386.279 2.637 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Nc3cccnc3Br)CCO2)cn1 ZINC000192342998 552560244 /nfs/dbraw/zinc/56/02/44/552560244.db2.gz PUUIMBXTTRMKHC-CYBMUJFWSA-N 0 0 380.246 2.666 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Nc3cncc(Br)c3)CCO2)cn1 ZINC000192371810 552560934 /nfs/dbraw/zinc/56/09/34/552560934.db2.gz UMDRLORSZUESQE-CQSZACIVSA-N 0 0 380.246 2.666 10 0 GFAERN CC(=O)NCCc1ccc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)s1 ZINC000193806541 553003881 /nfs/dbraw/zinc/00/38/81/553003881.db2.gz VENCZJKNGCIKNT-UHFFFAOYSA-N 0 0 382.551 2.530 10 0 GFAERN O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000194137259 553012730 /nfs/dbraw/zinc/01/27/30/553012730.db2.gz JQGBVQMRXZIOGX-MRVPVSSYSA-N 0 0 392.384 2.597 10 0 GFAERN COc1ccc(Br)cc1C[S@](=O)Cc1nnc(C2CC2)n1C ZINC000194283688 553016575 /nfs/dbraw/zinc/01/65/75/553016575.db2.gz QEGQABPDQLFHAO-QFIPXVFZSA-N 0 0 384.299 2.913 10 0 GFAERN CCc1noc([C@@H](C)N2CCN(c3ncc(C)cc3Br)CC2)n1 ZINC000194317369 553017833 /nfs/dbraw/zinc/01/78/33/553017833.db2.gz JDHBMBXSMAYAQO-GFCCVEGCSA-N 0 0 380.290 2.981 10 0 GFAERN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1COc2ccccc21 ZINC000195010492 553035874 /nfs/dbraw/zinc/03/58/74/553035874.db2.gz UUYHZUJHWZLBBJ-GXSJLCMTSA-N 0 0 395.278 2.879 10 0 GFAERN CCn1c(C)nnc1CN(C)CC(=O)Nc1ccc(Br)cc1C ZINC000195023361 553036061 /nfs/dbraw/zinc/03/60/61/553036061.db2.gz SEZPTXJAWWTDCR-UHFFFAOYSA-N 0 0 380.290 2.748 10 0 GFAERN C[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1ccc(Cl)cc1 ZINC000195253742 553042664 /nfs/dbraw/zinc/04/26/64/553042664.db2.gz OIQKVPRMJQUPJB-NSHDSACASA-N 0 0 379.869 2.570 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Cc1ccc(F)c(Br)c1)CC2 ZINC000195284031 553043787 /nfs/dbraw/zinc/04/37/87/553043787.db2.gz DCTQBNOKLMAXRQ-GFCCVEGCSA-N 0 0 395.276 2.977 10 0 GFAERN Cc1csc([C@H]2CN(Cc3cc(=O)n4cc(Cl)ccc4n3)CCO2)n1 ZINC000195389744 553046607 /nfs/dbraw/zinc/04/66/07/553046607.db2.gz HELNBZPIAXSCFR-CQSZACIVSA-N 0 0 376.869 2.686 10 0 GFAERN Cc1csc([C@@H]2CN([C@@H](C)C(=O)N3CCc4sccc4C3)CCO2)n1 ZINC000195387125 553046830 /nfs/dbraw/zinc/04/68/30/553046830.db2.gz VBIVXGFANJCRMX-ZFWWWQNUSA-N 0 0 377.535 2.860 10 0 GFAERN O=C(COc1cccc(I)c1)N[C@@H]1COc2ccccc21 ZINC000195393184 553047143 /nfs/dbraw/zinc/04/71/43/553047143.db2.gz FPJBTBOBAPVIOW-CQSZACIVSA-N 0 0 395.196 2.920 10 0 GFAERN CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000226860876 553061971 /nfs/dbraw/zinc/06/19/71/553061971.db2.gz VYBNGBKAQAPUGW-GFCCVEGCSA-N 0 0 376.906 2.827 10 0 GFAERN O=C(c1ccc(I)c(O)c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000230889342 553065565 /nfs/dbraw/zinc/06/55/65/553065565.db2.gz DGLQBEKQGDVFQT-JSGCOSHPSA-N 0 0 387.217 2.780 10 0 GFAERN COCCN1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1C ZINC000245530851 553092217 /nfs/dbraw/zinc/09/22/17/553092217.db2.gz CHRJCUHUQJTCDQ-GUYCJALGSA-N 0 0 386.323 2.751 10 0 GFAERN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246373723 553107082 /nfs/dbraw/zinc/10/70/82/553107082.db2.gz HOUQRBORTXGFQU-IIYDPXPESA-N 0 0 386.323 2.973 10 0 GFAERN CCOCCN1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000247811707 553125695 /nfs/dbraw/zinc/12/56/95/553125695.db2.gz VCEOKIVPXKCFJK-LSDHHAIUSA-N 0 0 398.345 2.819 10 0 GFAERN CN(C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000248046748 553127105 /nfs/dbraw/zinc/12/71/05/553127105.db2.gz VIGRJYJZQPISEA-VHRBIJSZSA-N 0 0 391.320 2.925 10 0 GFAERN Cc1csc([C@@H]2CN(CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CCO2)n1 ZINC000249867688 553146829 /nfs/dbraw/zinc/14/68/29/553146829.db2.gz ILINMZQQCRVUBY-OLZOCXBDSA-N 0 0 377.432 2.626 10 0 GFAERN Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000262254514 553167990 /nfs/dbraw/zinc/16/79/90/553167990.db2.gz DXVYIDJTNOHKND-CYBMUJFWSA-N 0 0 383.286 2.769 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000262713295 553174214 /nfs/dbraw/zinc/17/42/14/553174214.db2.gz MKPTYGALTPOLDR-UHFFFAOYSA-N 0 0 376.787 2.609 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000263122081 553182440 /nfs/dbraw/zinc/18/24/40/553182440.db2.gz KRBRFQRJZWMLLN-UHFFFAOYSA-N 0 0 394.269 2.598 10 0 GFAERN C[C@@H]1C[N@H+](CCCOc2cccc(I)c2)C[C@H]1C(=O)[O-] ZINC000263366153 553186845 /nfs/dbraw/zinc/18/68/45/553186845.db2.gz TZKAOGJEVGHBMZ-BXUZGUMPSA-N 0 0 389.233 2.713 10 0 GFAERN COc1ccc(CN2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000263492320 553188553 /nfs/dbraw/zinc/18/85/53/553188553.db2.gz IVNRAFMGNJOOAN-CQSZACIVSA-N 0 0 385.302 2.829 10 0 GFAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2COc3ccc(Br)cc32)no1 ZINC000372855940 563320064 /nfs/dbraw/zinc/32/00/64/563320064.db2.gz KTDFXVFNGUASHJ-STQMWFEESA-N 0 0 378.226 2.980 10 0 GFAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000373056089 563327140 /nfs/dbraw/zinc/32/71/40/563327140.db2.gz HBXFVLRPQAFLTJ-NWDGAFQWSA-N 0 0 380.436 2.585 10 0 GFAERN CCC(=O)N[C@H]1CCCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)C1 ZINC000301178194 563395941 /nfs/dbraw/zinc/39/59/41/563395941.db2.gz MCFASSMWTHYCDL-NSHDSACASA-N 0 0 382.379 2.614 10 0 GFAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375221380 563396094 /nfs/dbraw/zinc/39/60/94/563396094.db2.gz SRPYMRKLQRJIRX-UGFHNGPFSA-N 0 0 378.416 2.542 10 0 GFAERN CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000301337139 563400777 /nfs/dbraw/zinc/40/07/77/563400777.db2.gz GVOLJSQFHCGXRZ-WDEREUQCSA-N 0 0 385.429 2.748 10 0 GFAERN O=S(=O)(c1ccccc1F)N1CCN(c2ncc(C(F)(F)F)s2)CC1 ZINC000302669237 563427833 /nfs/dbraw/zinc/42/78/33/563427833.db2.gz DBTWZMZCIXKQPI-UHFFFAOYSA-N 0 0 395.403 2.812 10 0 GFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cccc(F)c1I ZINC000611007114 566110529 /nfs/dbraw/zinc/11/05/29/566110529.db2.gz JXLFPFQCCQTCJV-CABZTGNLSA-N 0 0 377.197 2.711 10 0 GFAERN O=C(COc1cccc(Cl)c1)N1CCCn2nc([C@H](O)C3CC3)cc2C1 ZINC000220343817 570385626 /nfs/dbraw/zinc/38/56/26/570385626.db2.gz XRWFUKWQKGRWDG-LJQANCHMSA-N 0 0 375.856 2.791 10 0 GFAERN CC1=C[C@@]23C(=O)[C@H](C=C4COC(C)(C)O[C@@H]4[C@]2(O)[C@@H]1O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C ZINC000669679221 570494206 /nfs/dbraw/zinc/49/42/06/570494206.db2.gz ONMDPPVVEFWDOD-JUDJXPNUSA-N 0 0 388.504 2.614 10 0 GFAERN Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000328615377 570680052 /nfs/dbraw/zinc/68/00/52/570680052.db2.gz AVEYMHAEMSGADC-GFCCVEGCSA-N 0 0 387.383 2.646 10 0 GFAERN O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccnc(-n2cnnc2)c1 ZINC000032646999 570722513 /nfs/dbraw/zinc/72/25/13/570722513.db2.gz ROKHLYZIYLBKNF-UHFFFAOYSA-N 0 0 390.447 2.977 10 0 GFAERN COCCN(C)c1cnn([C@@H]2CCCN(Cc3cccc(Cl)c3)C2)c(=O)c1 ZINC000583618326 570800393 /nfs/dbraw/zinc/80/03/93/570800393.db2.gz OHPOVNIJOARWKC-GOSISDBHSA-N 0 0 390.915 2.816 10 0 GFAERN Cn1cc(C(=O)N2CCCC[C@H]2c2nnc(-c3ccccc3F)o2)ccc1=O ZINC000328603102 570995427 /nfs/dbraw/zinc/99/54/27/570995427.db2.gz DSLJUTUMBSBCDB-INIZCTEOSA-N 0 0 382.395 2.942 10 0 GFAERN C[C@H](NC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)s1 ZINC000041759095 654631159 /nfs/dbraw/zinc/63/11/59/654631159.db2.gz SSSUBAKFLIUYGD-VIFPVBQESA-N 0 0 386.882 2.621 10 0 GFAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000046801735 654685838 /nfs/dbraw/zinc/68/58/38/654685838.db2.gz FEFPGTOUDJZYMS-SECBINFHSA-N 0 0 377.388 2.975 10 0 GFAERN C[C@H](C(=O)NCc1cscn1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000050408695 654719501 /nfs/dbraw/zinc/71/95/01/654719501.db2.gz XKOWJHZXJKKINN-SSDOTTSWSA-N 0 0 384.244 2.751 10 0 GFAERN Cc1ccc([C@H](CNC(=O)Cc2nc(C)sc2C)N2CCOCC2)s1 ZINC000123703254 654761036 /nfs/dbraw/zinc/76/10/36/654761036.db2.gz RJCSHVYSBVYPAF-INIZCTEOSA-N 0 0 379.551 2.862 10 0 GFAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Br)c2)C[C@H]1C ZINC000124044669 654769640 /nfs/dbraw/zinc/76/96/40/654769640.db2.gz VNCIEKUZHYCMRW-GHMZBOCLSA-N 0 0 375.694 2.630 10 0 GFAERN C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127384931 654828370 /nfs/dbraw/zinc/82/83/70/654828370.db2.gz OIOZQWYQKXIMCY-KBPBESRZSA-N 0 0 393.285 2.747 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3c(F)cccc3Cl)C2)n1 ZINC000132493613 654939291 /nfs/dbraw/zinc/93/92/91/654939291.db2.gz GYRBFVRHOCUBCV-ZDUSSCGKSA-N 0 0 386.880 2.788 10 0 GFAERN CC(=O)N[C@@H]1CCCN(Cn2nc(C)n(CCc3cccs3)c2=S)C1 ZINC000068872402 654969120 /nfs/dbraw/zinc/96/91/20/654969120.db2.gz TWYBXYVUXRJHHG-OAHLLOKOSA-N 0 0 379.555 2.585 10 0 GFAERN CCCn1nccc1NC(=O)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000134038288 654981253 /nfs/dbraw/zinc/98/12/53/654981253.db2.gz RMIDAKAJFBONTL-NSHDSACASA-N 0 0 379.258 2.872 10 0 GFAERN O=C(CN1CCC(Cn2cccn2)CC1)Nc1ccc(Br)cc1 ZINC000090473258 655008302 /nfs/dbraw/zinc/00/83/02/655008302.db2.gz WJBXTJMUMRZDDL-UHFFFAOYSA-N 0 0 377.286 2.996 10 0 GFAERN C[C@H](NC(=O)c1ccc(I)cc1)c1nnc2n1CCCC2 ZINC000135254255 655012667 /nfs/dbraw/zinc/01/26/67/655012667.db2.gz LSXMDFCOHGYFFC-JTQLQIEISA-N 0 0 396.232 2.710 10 0 GFAERN O=C([C@@H]1CC1(Cl)Cl)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000135542105 655019735 /nfs/dbraw/zinc/01/97/35/655019735.db2.gz OJFUOONOGSAPKV-INIZCTEOSA-N 0 0 379.291 2.710 10 0 GFAERN C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)c1c(Cl)ccc(F)c1Cl ZINC000097699409 655037705 /nfs/dbraw/zinc/03/77/05/655037705.db2.gz NERXOBXXXDDTRC-SECBINFHSA-N 0 0 383.210 2.819 10 0 GFAERN C[C@H](OC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C1CCOCC1 ZINC000151554212 655052466 /nfs/dbraw/zinc/05/24/66/655052466.db2.gz IMLDUCPALOTRMG-JTQLQIEISA-N 0 0 391.283 2.825 10 0 GFAERN C[C@@H]1CC[C@H](C(=O)OC[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)O1 ZINC000155204496 655082157 /nfs/dbraw/zinc/08/21/57/655082157.db2.gz ZOZYBQFQEREEPA-LALPHHSUSA-N 0 0 382.254 2.913 10 0 GFAERN CC(C)[C@H](C(=O)Oc1ccc(F)cc1Br)N1CCCS1(=O)=O ZINC000155578038 655085682 /nfs/dbraw/zinc/08/56/82/655085682.db2.gz GKJHEGCMRYNPFM-CYBMUJFWSA-N 0 0 394.262 2.554 10 0 GFAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000106013059 655100681 /nfs/dbraw/zinc/10/06/81/655100681.db2.gz RGXCCDCGTLUWHY-SECBINFHSA-N 0 0 396.690 2.676 10 0 GFAERN CC[C@@H](O)CN1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000106395531 655107863 /nfs/dbraw/zinc/10/78/63/655107863.db2.gz NAJVCSZORPWVRO-CYBMUJFWSA-N 0 0 379.913 2.992 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000106395514 655107890 /nfs/dbraw/zinc/10/78/90/655107890.db2.gz GNSNINCMVPZLCR-INIZCTEOSA-N 0 0 383.330 2.642 10 0 GFAERN CCn1ccnc1CSc1nnc(-c2cccc(Br)c2)n1N ZINC000106587680 655109054 /nfs/dbraw/zinc/10/90/54/655109054.db2.gz YOEWDLOXGQGBPS-UHFFFAOYSA-N 0 0 379.287 2.930 10 0 GFAERN CCOCCN1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1CC ZINC000158926520 655110424 /nfs/dbraw/zinc/11/04/24/655110424.db2.gz QUQAECBMPZIKKC-GFCCVEGCSA-N 0 0 396.340 2.510 10 0 GFAERN Brc1ccc(-c2ccn(CN3CC[C@H](N4CCOCC4)C3)n2)cc1 ZINC000161393011 655127098 /nfs/dbraw/zinc/12/70/98/655127098.db2.gz AGIMIIAVFCDMET-KRWDZBQOSA-N 0 0 391.313 2.677 10 0 GFAERN COC(=O)N[C@@H](C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)C(C)C ZINC000108264122 655130430 /nfs/dbraw/zinc/13/04/30/655130430.db2.gz BGHVMKDDEMPUJA-LSDHHAIUSA-N 0 0 399.285 2.730 10 0 GFAERN C[C@H](NC(=O)c1sccc1-n1cnnn1)c1cccc(Br)c1 ZINC000108656673 655136227 /nfs/dbraw/zinc/13/62/27/655136227.db2.gz VOZTXWFFTWPXQW-VIFPVBQESA-N 0 0 378.255 2.977 10 0 GFAERN O=c1c(Cl)c(N[C@H]2CCc3ncnn3C2)cnn1-c1ccc(Cl)cc1 ZINC000108947836 655139663 /nfs/dbraw/zinc/13/96/63/655139663.db2.gz LTPDOWRDRIFAML-NSHDSACASA-N 0 0 377.235 2.558 10 0 GFAERN C[C@H](CCNc1ncnc2c1c(Br)nn2C)NC(=O)OC(C)(C)C ZINC000171131921 655149147 /nfs/dbraw/zinc/14/91/47/655149147.db2.gz KWDMZLVBSJYKKS-SECBINFHSA-N 0 0 399.293 2.841 10 0 GFAERN O=S(=O)(c1ccc(Br)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000111344137 655169420 /nfs/dbraw/zinc/16/94/20/655169420.db2.gz FTTMDDBDXXQGES-GFCCVEGCSA-N 0 0 389.296 2.668 10 0 GFAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3ccccc3Br)C2)c1 ZINC000111361534 655171047 /nfs/dbraw/zinc/17/10/47/655171047.db2.gz GGKNNESPODGZOL-ZDUSSCGKSA-N 0 0 384.299 2.980 10 0 GFAERN C[C@H](COCc1ccccc1)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000173794608 655181721 /nfs/dbraw/zinc/18/17/21/655181721.db2.gz TYUUHPJDDBDPRZ-CYBMUJFWSA-N 0 0 379.869 2.871 10 0 GFAERN CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000173871587 655183423 /nfs/dbraw/zinc/18/34/23/655183423.db2.gz LPMRXOKQIQKVCZ-ZDUSSCGKSA-N 0 0 386.949 2.658 10 0 GFAERN CSCc1cc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1F ZINC000174009775 655189996 /nfs/dbraw/zinc/18/99/96/655189996.db2.gz KFRIHXQCTQYKJX-NSHDSACASA-N 0 0 382.482 2.827 10 0 GFAERN C[C@H](CC(=O)O[C@@H](C)c1cccs1)NC1=NS(=O)(=O)c2ccccc21 ZINC000174140397 655193080 /nfs/dbraw/zinc/19/30/80/655193080.db2.gz YIBHWEILZXYPRB-NEPJUHHUSA-N 0 0 378.475 2.870 10 0 GFAERN C[C@@H](CCc1ccc(Br)cc1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112745567 655197079 /nfs/dbraw/zinc/19/70/79/655197079.db2.gz LZXJRTIPOBXTNV-WFASDCNBSA-N 0 0 392.301 2.676 10 0 GFAERN COC(=O)[C@@H]1CCCN(c2ncnc3ccc(I)cc32)C1 ZINC000174723344 655206647 /nfs/dbraw/zinc/20/66/47/655206647.db2.gz RNALLDOEUDFOGC-SNVBAGLBSA-N 0 0 397.216 2.624 10 0 GFAERN Cc1cnc(CNC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)s1 ZINC000174946735 655210937 /nfs/dbraw/zinc/21/09/37/655210937.db2.gz XTDKZHWRTHDDIB-AWEZNQCLSA-N 0 0 380.539 2.728 10 0 GFAERN C[C@@H](NC(=O)NCCN1C(=O)CCC1=O)c1c(Cl)ccc(F)c1Cl ZINC000113970397 655216639 /nfs/dbraw/zinc/21/66/39/655216639.db2.gz JWPQGLXQBZODQR-MRVPVSSYSA-N 0 0 376.215 2.642 10 0 GFAERN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000175266826 655217320 /nfs/dbraw/zinc/21/73/20/655217320.db2.gz ZYJJQRJFZGZMOH-NSHDSACASA-N 0 0 375.296 2.864 10 0 GFAERN C[C@H](NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)c1ccccc1Br ZINC000175623405 655223931 /nfs/dbraw/zinc/22/39/31/655223931.db2.gz VEQGKOHRQLRZED-JKIFEVAISA-N 0 0 396.329 2.872 10 0 GFAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)/C=C/c3ccccc3Cl)O2)n1 ZINC000275282015 655226940 /nfs/dbraw/zinc/22/69/40/655226940.db2.gz KPOXQLVCKGWIJV-HOMMJUPQSA-N 0 0 383.857 2.842 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1csc(Br)c1)CC2 ZINC000114978488 655231456 /nfs/dbraw/zinc/23/14/56/655231456.db2.gz RDEUQZTUKPJISP-NSHDSACASA-N 0 0 398.330 2.821 10 0 GFAERN Cn1cc([C@@H]2[C@@H](C(=O)Oc3cccc(Br)c3)CCC(=O)N2C)cn1 ZINC000115201998 655233187 /nfs/dbraw/zinc/23/31/87/655233187.db2.gz FOILGLLTXGUVDF-GOEBONIOSA-N 0 0 392.253 2.698 10 0 GFAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000115378562 655236505 /nfs/dbraw/zinc/23/65/05/655236505.db2.gz DRYDHUPDDDVNFQ-GFCCVEGCSA-N 0 0 375.479 2.522 10 0 GFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000115387957 655236587 /nfs/dbraw/zinc/23/65/87/655236587.db2.gz DRZKPYULGAVSON-UHFFFAOYSA-N 0 0 397.342 2.819 10 0 GFAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc(I)cc3)C2)cn1 ZINC000116121835 655244206 /nfs/dbraw/zinc/24/42/06/655244206.db2.gz QVGRHPDGAGVXNC-GFCCVEGCSA-N 0 0 381.217 2.654 10 0 GFAERN Cn1cc([C@H]2CCN(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)C2)cn1 ZINC000116257805 655247102 /nfs/dbraw/zinc/24/71/02/655247102.db2.gz PIRLJPICUPPLSR-JTQLQIEISA-N 0 0 379.247 2.770 10 0 GFAERN C[C@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000176507147 655248192 /nfs/dbraw/zinc/24/81/92/655248192.db2.gz BIBKOQWRJKEKLS-YOEHRIQHSA-N 0 0 381.314 2.561 10 0 GFAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3Cl)C2)n1 ZINC000116899797 655256090 /nfs/dbraw/zinc/25/60/90/655256090.db2.gz TZMNLEXTXAWTFN-ZDUSSCGKSA-N 0 0 386.880 2.788 10 0 GFAERN CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000117258796 655262535 /nfs/dbraw/zinc/26/25/35/655262535.db2.gz GJIXUAPGTFKDCX-ZFWWWQNUSA-N 0 0 377.286 2.741 10 0 GFAERN COCCN1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H]1C ZINC000117291309 655263267 /nfs/dbraw/zinc/26/32/67/655263267.db2.gz XXHWEVTXMJGFAS-CQSZACIVSA-N 0 0 381.314 2.660 10 0 GFAERN Cc1cnn(CCNC(=O)c2ccc(I)cc2Cl)c1 ZINC000117809897 655268240 /nfs/dbraw/zinc/26/82/40/655268240.db2.gz LHGCWKFFABPOSY-UHFFFAOYSA-N 0 0 389.624 2.880 10 0 GFAERN O=C(CSC[C@@H](O)CO)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000177407198 655275676 /nfs/dbraw/zinc/27/56/76/655275676.db2.gz AFSWSRCONJQZQD-JTQLQIEISA-N 0 0 377.306 2.749 10 0 GFAERN O=C(COc1ccc(Cl)cc1Cl)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118669343 655280477 /nfs/dbraw/zinc/28/04/77/655280477.db2.gz LVEMDQVWLQAZKY-ZDUSSCGKSA-N 0 0 381.263 2.947 10 0 GFAERN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177553521 655281199 /nfs/dbraw/zinc/28/11/99/655281199.db2.gz KXVCXRIFNSGSHS-RNCFNFMXSA-N 0 0 378.778 2.965 10 0 GFAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000177591046 655283146 /nfs/dbraw/zinc/28/31/46/655283146.db2.gz ZPBAMTVULIRWBG-SECBINFHSA-N 0 0 396.278 2.939 10 0 GFAERN COc1cc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1Br ZINC000177888892 655290486 /nfs/dbraw/zinc/29/04/86/655290486.db2.gz BNYXOEIIPILFCS-SWLSCSKDSA-N 0 0 398.301 2.642 10 0 GFAERN C[C@@H](OC(=O)CCN1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000177969463 655293373 /nfs/dbraw/zinc/29/33/73/655293373.db2.gz YVOHAGXKDUPCFQ-SNVBAGLBSA-N 0 0 394.262 2.618 10 0 GFAERN NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC(Cn2cccn2)CC1 ZINC000119250155 655295355 /nfs/dbraw/zinc/29/53/55/655295355.db2.gz LVSRIOGVVUSJPP-INIZCTEOSA-N 0 0 395.276 2.723 10 0 GFAERN Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1cc(Br)c[nH]1)[C@H](C)C2 ZINC000180818694 655330499 /nfs/dbraw/zinc/33/04/99/655330499.db2.gz NAPYTNFQNVYMDO-MEBBXXQBSA-N 0 0 391.269 2.963 10 0 GFAERN CCc1nc(C2(NC(=O)c3ccc(OC)c(Br)n3)CCCC2)no1 ZINC000181255192 655334180 /nfs/dbraw/zinc/33/41/80/655334180.db2.gz YKBWZOJBLDDWST-UHFFFAOYSA-N 0 0 395.257 2.997 10 0 GFAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1nc(Br)cs1 ZINC000188758261 655381686 /nfs/dbraw/zinc/38/16/86/655381686.db2.gz HAKPAMYCKVIEPB-SECBINFHSA-N 0 0 387.280 2.554 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C)c1cccs1 ZINC000193527740 655410805 /nfs/dbraw/zinc/41/08/05/655410805.db2.gz MQJPPVNVWPOGJY-SNVBAGLBSA-N 0 0 379.869 2.919 10 0 GFAERN CCn1nc(C)c2c1cnn2CCC(=O)N(C)Cc1ccc(Br)o1 ZINC000223870232 655422472 /nfs/dbraw/zinc/42/24/72/655422472.db2.gz OITSBIOEQBMVAQ-UHFFFAOYSA-N 0 0 394.273 2.965 10 0 GFAERN CCc1ccc([C@H](C)NC(=S)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000243050308 655427241 /nfs/dbraw/zinc/42/72/41/655427241.db2.gz IEMNJPXZMAJGDB-ZDUSSCGKSA-N 0 0 377.535 2.622 10 0 GFAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc3sccc3s2)C1 ZINC000702794492 655521845 /nfs/dbraw/zinc/52/18/45/655521845.db2.gz FMLYKVNQIZUNJD-WDEREUQCSA-N 0 0 382.507 2.920 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000760648832 655988847 /nfs/dbraw/zinc/98/88/47/655988847.db2.gz DJIRBVCLDVYWCE-GDAGCXPBSA-N 0 0 382.873 2.503 10 0 GFAERN COc1ccccc1-c1cc(-c2ccccc2)c(=O)n(CCN2CCOCC2)n1 ZINC000031571536 212159885 /nfs/dbraw/zinc/15/98/85/212159885.db2.gz QDSJCVRNFNQPAX-UHFFFAOYSA-N 0 0 391.471 2.918 10 0 GFAERN O=C(CN1CCOCC1)Nc1cnc(OCc2c(Cl)cccc2Cl)cn1 ZINC000090636193 212150859 /nfs/dbraw/zinc/15/08/59/212150859.db2.gz YUEDATPCKSHPAW-UHFFFAOYSA-N 0 0 397.262 2.633 10 0 GFAERN C[C@H](O)CCC[C@H](C(=O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000255995837 212138884 /nfs/dbraw/zinc/13/88/84/212138884.db2.gz PYEXHWGXGAGHAH-HNAYVOBHSA-N 0 0 381.428 2.946 10 0 GFAERN COc1ccc(-c2n[nH]c3c2CN(S(=O)(=O)c2ccsc2)CC3)cc1 ZINC000023478662 212106777 /nfs/dbraw/zinc/10/67/77/212106777.db2.gz KGBDOOAYFAZANJ-UHFFFAOYSA-N 0 0 375.475 2.894 10 0 GFAERN COc1ccc(-c2nnc(SCC(=O)Nc3nnc(C)s3)o2)cc1OC ZINC000010546233 212078268 /nfs/dbraw/zinc/07/82/68/212078268.db2.gz FSVXHKRQGCZLIX-UHFFFAOYSA-N 0 0 393.450 2.645 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(C)c1 ZINC000006236323 220924780 /nfs/dbraw/zinc/92/47/80/220924780.db2.gz BMPTZXRZKNQZPG-UHFFFAOYSA-N 0 0 376.453 2.589 10 0 GFAERN Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3COCCO3)C(=O)c3ccccc3)cc2c1 ZINC000006813330 220966598 /nfs/dbraw/zinc/96/65/98/220966598.db2.gz ZTYXTBWHULENGS-HXUWFJFHSA-N 0 0 392.455 2.894 10 0 GFAERN Cc1cccc(C(=O)N2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)c1 ZINC000011816206 221127328 /nfs/dbraw/zinc/12/73/28/221127328.db2.gz RLKUTNCELQBUGM-UHFFFAOYSA-N 0 0 381.480 2.736 10 0 GFAERN Cc1nc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)sc1C ZINC000012022603 221143867 /nfs/dbraw/zinc/14/38/67/221143867.db2.gz DWLVPUBQQLUMEW-UHFFFAOYSA-N 0 0 393.490 2.715 10 0 GFAERN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(F)cc3F)c2)C1=O ZINC000012026424 221144092 /nfs/dbraw/zinc/14/40/92/221144092.db2.gz RYWBUVNBBDRJML-UHFFFAOYSA-N 0 0 394.399 2.920 10 0 GFAERN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C2CCCCC2)cc1 ZINC000012090193 221149640 /nfs/dbraw/zinc/14/96/40/221149640.db2.gz PJWDILJELKDKID-HXUWFJFHSA-N 0 0 387.524 2.567 10 0 GFAERN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1 ZINC000012202772 221166410 /nfs/dbraw/zinc/16/64/10/221166410.db2.gz CCJGMZIWEAFLII-CQSZACIVSA-N 0 0 384.457 2.870 10 0 GFAERN CCOC(=O)c1nn(CC)c2c1CN(C(=O)c1ccccc1-c1ncc[nH]1)CC2 ZINC000014745291 221315764 /nfs/dbraw/zinc/31/57/64/221315764.db2.gz ICEWDSZFLPZYRW-UHFFFAOYSA-N 0 0 393.447 2.668 10 0 GFAERN CNC(=O)c1cn(CCC(C)C)cc(C(=O)N[C@H](C)c2cccs2)c1=O ZINC000014953659 221319995 /nfs/dbraw/zinc/31/99/95/221319995.db2.gz CNAYPTGOJXZGEN-CYBMUJFWSA-N 0 0 375.494 2.807 10 0 GFAERN CCCn1ncc(N2CCC(C(=O)Nc3ccc(OC)cc3C)CC2)cc1=O ZINC000065311406 136163128 /nfs/dbraw/zinc/16/31/28/136163128.db2.gz REJMOWGSTBXQGX-UHFFFAOYSA-N 0 0 384.480 2.825 10 0 GFAERN NC(=O)c1ccc(N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)nc1 ZINC000095509374 136180470 /nfs/dbraw/zinc/18/04/70/136180470.db2.gz GYMWRGVQKLSNTC-HNNXBMFYSA-N 0 0 384.455 2.633 10 0 GFAERN CNC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3C)c2)C1 ZINC000021709592 221538318 /nfs/dbraw/zinc/53/83/18/221538318.db2.gz AFBDMKCVPINMDF-QGZVFWFLSA-N 0 0 379.460 2.846 10 0 GFAERN C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1cccc(Br)c1 ZINC000028047903 221666131 /nfs/dbraw/zinc/66/61/31/221666131.db2.gz GKROYEXUSDIIQJ-MRVPVSSYSA-N 0 0 378.679 2.876 10 0 GFAERN COC(=O)c1ccc(CN2C[C@H](Sc3ccccn3)C[C@H]2C(=O)N(C)C)cc1 ZINC000064002257 222068896 /nfs/dbraw/zinc/06/88/96/222068896.db2.gz ZDDHBXJWBWLARN-MSOLQXFVSA-N 0 0 399.516 2.692 10 0 GFAERN CC1CCN(C(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)CC1 ZINC000067262377 222143203 /nfs/dbraw/zinc/14/32/03/222143203.db2.gz CWQBQGDEYHXICP-UHFFFAOYSA-N 0 0 382.439 2.951 10 0 GFAERN CN(C(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074062 222328840 /nfs/dbraw/zinc/32/88/40/222328840.db2.gz FVTFUOMWSWAEEO-OAHLLOKOSA-N 0 0 376.453 2.929 10 0 GFAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CS(=O)(=O)c1ccnc(Cl)n1 ZINC000095086714 222330608 /nfs/dbraw/zinc/33/06/08/222330608.db2.gz WMDGUMMJIAZWJB-LLVKDONJSA-N 0 0 375.878 2.693 10 0 GFAERN O=C(c1cscn1)N1CCC[C@@]12CCCN(S(=O)(=O)c1ccccc1)C2 ZINC000096071297 222376191 /nfs/dbraw/zinc/37/61/91/222376191.db2.gz FKYNLYKASUEPPS-GOSISDBHSA-N 0 0 391.518 2.603 10 0 GFAERN O=C(c1cscn1)N1CCC[C@]12CCCN(S(=O)(=O)c1ccccc1)C2 ZINC000096071296 222377615 /nfs/dbraw/zinc/37/76/15/222377615.db2.gz FKYNLYKASUEPPS-SFHVURJKSA-N 0 0 391.518 2.603 10 0 GFAERN Cc1ccc(S(=O)(=O)N2CCC(NC(=S)N3CCC[C@H](C)C3)CC2)cc1 ZINC000085344941 525523290 /nfs/dbraw/zinc/52/32/90/525523290.db2.gz IQALJFOYTHWQHL-INIZCTEOSA-N 0 0 395.594 2.755 10 0 GFAERN Cc1ccc(-c2nc(-c3cccnc3)cc(N3CC[NH+](CC(=O)[O-])CC3)n2)cc1 ZINC000073685442 525798775 /nfs/dbraw/zinc/79/87/75/525798775.db2.gz NTAFBYVTEZFKEY-UHFFFAOYSA-N 0 0 389.459 2.721 10 0 GFAERN CCc1csc(-c2ccc(N3CCN(C(=O)c4cnccn4)CC3)nc2)n1 ZINC000065240752 536108067 /nfs/dbraw/zinc/10/80/67/536108067.db2.gz NFDUVPYCSJBUQI-UHFFFAOYSA-N 0 0 380.477 2.520 10 0 GFAERN COC(=O)C[C@H](NC(=O)NCc1ccncc1)c1cccc(Br)c1 ZINC000054820168 551170834 /nfs/dbraw/zinc/17/08/34/551170834.db2.gz BXSHSKKEUUXCGD-HNNXBMFYSA-N 0 0 392.253 2.948 10 0 GFAERN COC(=O)C[C@H](NC(=O)COCC(F)(F)F)c1cccc(Br)c1 ZINC000097057435 551196423 /nfs/dbraw/zinc/19/64/23/551196423.db2.gz TXGMQQOPCHFLGI-NSHDSACASA-N 0 0 398.175 2.748 10 0 GFAERN COC(=O)C[C@H](NC(=O)Nc1ccn(C)n1)c1cccc(Br)c1 ZINC000107055351 551201649 /nfs/dbraw/zinc/20/16/49/551201649.db2.gz YODDLMDKJOGEPI-LBPRGKRZSA-N 0 0 381.230 2.609 10 0 GFAERN OC[C@H]1CCCN1c1cc(NCCOc2ccc(Br)cc2)ncn1 ZINC000110333449 551204263 /nfs/dbraw/zinc/20/42/63/551204263.db2.gz SYNNWXKJHWRTSP-CQSZACIVSA-N 0 0 393.285 2.691 10 0 GFAERN Cc1cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)ccc1Br ZINC000121900566 551291985 /nfs/dbraw/zinc/29/19/85/551291985.db2.gz COSGAMAAVRWLPA-CQSZACIVSA-N 0 0 375.270 2.946 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H](O)COC(C)(C)C ZINC000123107103 551303173 /nfs/dbraw/zinc/30/31/73/551303173.db2.gz ZFQOETDPXCZVNI-CQSZACIVSA-N 0 0 387.318 2.804 10 0 GFAERN CN(C)c1ncc(Br)cc1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124566684 551315647 /nfs/dbraw/zinc/31/56/47/551315647.db2.gz CBTZHDSBYZGADK-UHFFFAOYSA-N 0 0 392.301 2.663 10 0 GFAERN CN(C(=O)Nc1cncc(Br)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000126874674 551333554 /nfs/dbraw/zinc/33/35/54/551333554.db2.gz DEQWGACPAVBMPX-CQSZACIVSA-N 0 0 391.273 2.767 10 0 GFAERN C[C@H](C(=O)N1C[C@@H](C)OC[C@@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000127612024 551342740 /nfs/dbraw/zinc/34/27/40/551342740.db2.gz FFGMOMMSQGTQBJ-IVZWLZJFSA-N 0 0 385.247 2.614 10 0 GFAERN C[C@@H](CNC(=O)Nc1nnc(-c2cccc(Cl)c2)s1)N1CCOCC1 ZINC000129599665 551358315 /nfs/dbraw/zinc/35/83/15/551358315.db2.gz FXHOGZKDYXMMQW-NSHDSACASA-N 0 0 381.889 2.701 10 0 GFAERN Cc1ccc(N2CCCN(C(=O)c3ccc(C)nc3Br)CC2)nn1 ZINC000131816739 551375880 /nfs/dbraw/zinc/37/58/80/551375880.db2.gz ROASZOLHYFSKLD-UHFFFAOYSA-N 0 0 390.285 2.603 10 0 GFAERN Cc1cc(NC(=O)C(=O)N2CCS[C@@H](C)C2)n(-c2ccc(Cl)cc2)n1 ZINC000132153160 551377852 /nfs/dbraw/zinc/37/78/52/551377852.db2.gz XNJNOUHAJQCJGO-LBPRGKRZSA-N 0 0 378.885 2.737 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(I)c1 ZINC000151207823 551409041 /nfs/dbraw/zinc/40/90/41/551409041.db2.gz QQQVHVUXECUOQB-GFCCVEGCSA-N 0 0 396.232 2.710 10 0 GFAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)Cc1cc(Br)cn1C ZINC000153672755 551458105 /nfs/dbraw/zinc/45/81/05/551458105.db2.gz AREOXWMVCGNVOB-GFCCVEGCSA-N 0 0 393.285 2.956 10 0 GFAERN CC(C)[C@@H](O)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000154209594 551469641 /nfs/dbraw/zinc/46/96/41/551469641.db2.gz SZSURPNNHDDSIP-ZDUSSCGKSA-N 0 0 379.810 2.809 10 0 GFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(Br)c(O)c3)CCO2)n1 ZINC000154753598 551482459 /nfs/dbraw/zinc/48/24/59/551482459.db2.gz UAJFLOCXSFTPBZ-CQSZACIVSA-N 0 0 394.269 2.509 10 0 GFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1csc(-c2cccs2)n1 ZINC000154971579 551487364 /nfs/dbraw/zinc/48/73/64/551487364.db2.gz KJKLVCZAVOIHBS-JTQLQIEISA-N 0 0 375.479 2.874 10 0 GFAERN Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000155133820 551492147 /nfs/dbraw/zinc/49/21/47/551492147.db2.gz NKEKTFAETGTOFV-WFASDCNBSA-N 0 0 398.301 2.953 10 0 GFAERN Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000155342682 551498167 /nfs/dbraw/zinc/49/81/67/551498167.db2.gz HUNAIHQSYPJZKN-NSHDSACASA-N 0 0 390.328 2.869 10 0 GFAERN Cc1noc([C@H]2COCCN2C(=O)CCc2ccc(Br)c(C)c2)n1 ZINC000155478312 551500523 /nfs/dbraw/zinc/50/05/23/551500523.db2.gz VBKSRROKAFIPGI-OAHLLOKOSA-N 0 0 394.269 2.982 10 0 GFAERN O=C(NCc1nc(C(F)(F)F)cs1)N1CCO[C@H](c2nccs2)C1 ZINC000155503706 551501414 /nfs/dbraw/zinc/50/14/14/551501414.db2.gz DJHDEPRSDRFCTA-QMMMGPOBSA-N 0 0 378.401 2.902 10 0 GFAERN Cc1cc(Br)cc(CN2CCS(=O)(=O)[C@@H](C)C2)c1OC(F)F ZINC000156319212 551519934 /nfs/dbraw/zinc/51/99/34/551519934.db2.gz ZHOZYBSMFCAEOV-JTQLQIEISA-N 0 0 398.269 2.978 10 0 GFAERN Cc1ccc([C@@H](C)NC(=O)NCCNS(=O)(=O)c2cc(C)sc2C)o1 ZINC000156664571 551526637 /nfs/dbraw/zinc/52/66/37/551526637.db2.gz STABGZAYCNSILE-GFCCVEGCSA-N 0 0 385.511 2.605 10 0 GFAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cc(F)c(F)cc1I ZINC000157436833 551538249 /nfs/dbraw/zinc/53/82/49/551538249.db2.gz WQGLFNRVYIVTDV-OCAPTIKFSA-N 0 0 381.160 2.819 10 0 GFAERN O=S(=O)(c1cc(F)cc(F)c1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158491132 551552788 /nfs/dbraw/zinc/55/27/88/551552788.db2.gz OFPOPFKBRBGZFE-WBMJQRKESA-N 0 0 375.343 2.740 10 0 GFAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000158977591 551559290 /nfs/dbraw/zinc/55/92/90/551559290.db2.gz KBZSZBDLCJDMKT-GFCCVEGCSA-N 0 0 380.491 2.736 10 0 GFAERN C[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)c1cccc(-n2ccnc2)c1 ZINC000164137259 551623901 /nfs/dbraw/zinc/62/39/01/551623901.db2.gz LRUSEGOVMAFSHE-LBPRGKRZSA-N 0 0 375.475 2.828 10 0 GFAERN C[C@@H]1CN(C(=O)CSc2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000164091984 551624188 /nfs/dbraw/zinc/62/41/88/551624188.db2.gz DXCNRQRIQQHVDU-CZUORRHYSA-N 0 0 399.354 2.720 10 0 GFAERN C[C@@H](NC(=O)Cc1ccc(Br)c(F)c1)c1nnc2n1CCCC2 ZINC000164361914 551625219 /nfs/dbraw/zinc/62/52/19/551625219.db2.gz ZBTCHOSQZCZOIP-SNVBAGLBSA-N 0 0 381.249 2.936 10 0 GFAERN Cc1nc(C2(NC[C@@H](O)COc3cccc(Br)c3)CCCC2)no1 ZINC000170645454 551636750 /nfs/dbraw/zinc/63/67/50/551636750.db2.gz DHGVLLBOCCYPCA-CQSZACIVSA-N 0 0 396.285 2.939 10 0 GFAERN Cc1nc(C[C@H]2CCCN([C@H](C(N)=O)c3ccc(Br)cc3)C2)no1 ZINC000170914563 551642714 /nfs/dbraw/zinc/64/27/14/551642714.db2.gz UAVGPVNANRRQEJ-WBMJQRKESA-N 0 0 393.285 2.622 10 0 GFAERN CCn1cc(Br)cc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000171241185 551650925 /nfs/dbraw/zinc/65/09/25/551650925.db2.gz FWBIQDAIOODONC-ZDUSSCGKSA-N 0 0 397.294 2.919 10 0 GFAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171398312 551654482 /nfs/dbraw/zinc/65/44/82/551654482.db2.gz PSUIZOXABVZNEA-HNNXBMFYSA-N 0 0 391.269 2.793 10 0 GFAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccccc2OC(F)(F)F)cn1 ZINC000171432780 551655838 /nfs/dbraw/zinc/65/58/38/551655838.db2.gz MOSSJSRQIFJORO-LBPRGKRZSA-N 0 0 375.372 2.845 10 0 GFAERN COC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 ZINC000171467222 551656473 /nfs/dbraw/zinc/65/64/73/551656473.db2.gz KPKJMOMAHSMVJU-GHMZBOCLSA-N 0 0 388.233 2.767 10 0 GFAERN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCS[C@@H](C)C1 ZINC000171574285 551658411 /nfs/dbraw/zinc/65/84/11/551658411.db2.gz KHODTPACSYEPBH-SWLSCSKDSA-N 0 0 382.913 2.917 10 0 GFAERN C[C@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCS1 ZINC000171569425 551658656 /nfs/dbraw/zinc/65/86/56/551658656.db2.gz UVSHSVZDHSHCHQ-RYUDHWBXSA-N 0 0 383.311 2.766 10 0 GFAERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000171674242 551660805 /nfs/dbraw/zinc/66/08/05/551660805.db2.gz QPDRGFBAQNSGJC-UHFFFAOYSA-N 0 0 389.930 2.752 10 0 GFAERN CCOc1ncc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1Cl ZINC000171795426 551664083 /nfs/dbraw/zinc/66/40/83/551664083.db2.gz UDWFTEZOWKBBLM-CQSZACIVSA-N 0 0 380.853 2.782 10 0 GFAERN CN(C)c1nc2sc(C(=O)N3CCC[C@@H](Cn4cncn4)C3)cc2s1 ZINC000172400355 551678558 /nfs/dbraw/zinc/67/85/58/551678558.db2.gz NUQVPENHIUFOPH-LLVKDONJSA-N 0 0 376.511 2.568 10 0 GFAERN CCn1cc(Br)cc1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000172418121 551679106 /nfs/dbraw/zinc/67/91/06/551679106.db2.gz GNOLWFKOXVASHG-GFCCVEGCSA-N 0 0 380.290 2.730 10 0 GFAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000172559733 551682085 /nfs/dbraw/zinc/68/20/85/551682085.db2.gz KPVWFTHWPVKFCM-JKSUJKDBSA-N 0 0 378.519 2.939 10 0 GFAERN O=C(N1CC[C@H](N2CCOCC2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000172760609 551686648 /nfs/dbraw/zinc/68/66/48/551686648.db2.gz SXKLHPCXLAUBKZ-KRWDZBQOSA-N 0 0 393.325 2.804 10 0 GFAERN CC(C)c1nnc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)n1C ZINC000172992911 551691937 /nfs/dbraw/zinc/69/19/37/551691937.db2.gz BZMMJYDPWFSEAU-UHFFFAOYSA-N 0 0 386.905 2.627 10 0 GFAERN Cc1csc([C@@H]2CCCN(C(=O)c3sccc3S(=O)(=O)N(C)C)C2)n1 ZINC000173070771 551694299 /nfs/dbraw/zinc/69/42/99/551694299.db2.gz NTFBTMDTPFSKCV-GFCCVEGCSA-N 0 0 399.563 2.783 10 0 GFAERN Cn1cc([C@@H]2CCCN2C(=O)COc2ccc(C=O)cc2Br)cn1 ZINC000173060134 551694327 /nfs/dbraw/zinc/69/43/27/551694327.db2.gz VSVINIKGJMRAJH-HNNXBMFYSA-N 0 0 392.253 2.738 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@H]1N1CCOCC1 ZINC000173395706 552085299 /nfs/dbraw/zinc/08/52/99/552085299.db2.gz BNXPOUUEOBDTPP-SJKOYZFVSA-N 0 0 392.297 2.723 10 0 GFAERN Cc1nc(-c2cccs2)sc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173826477 552092984 /nfs/dbraw/zinc/09/29/84/552092984.db2.gz FENLXOJJIILXMV-GXTWGEPZSA-N 0 0 377.535 2.973 10 0 GFAERN C[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)C[C@@H]1N1CCOCC1 ZINC000173843178 552093648 /nfs/dbraw/zinc/09/36/48/552093648.db2.gz AILDLDYSXNLBFE-ZFWWWQNUSA-N 0 0 377.535 2.593 10 0 GFAERN CC(C)n1nnnc1CN1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000173855098 552094886 /nfs/dbraw/zinc/09/48/86/552094886.db2.gz LNKNLZKFBSRKHY-AWEZNQCLSA-N 0 0 393.333 2.895 10 0 GFAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174106053 552099096 /nfs/dbraw/zinc/09/90/96/552099096.db2.gz GEZNFZQSKVOYHU-CQSZACIVSA-N 0 0 380.217 2.806 10 0 GFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccc(Br)cc1 ZINC000175792244 552129378 /nfs/dbraw/zinc/12/93/78/552129378.db2.gz SSNUVPYZKRHJBJ-AWEZNQCLSA-N 0 0 378.274 2.726 10 0 GFAERN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176102600 552135863 /nfs/dbraw/zinc/13/58/63/552135863.db2.gz ROIKDHAULCOEAX-JTQLQIEISA-N 0 0 388.642 2.828 10 0 GFAERN Cc1cc(Br)ccc1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177707250 552157078 /nfs/dbraw/zinc/15/70/78/552157078.db2.gz MXGRSUMRQLHHNV-BBRMVZONSA-N 0 0 382.302 2.942 10 0 GFAERN CNC(=O)[C@H](NC(=O)NCC1(c2ccccc2Br)CC1)C(C)C ZINC000178419840 552170076 /nfs/dbraw/zinc/17/00/76/552170076.db2.gz RITYYJHUWLKMAC-CQSZACIVSA-N 0 0 382.302 2.551 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Cc1cc(F)ccc1Br)CC2 ZINC000178914201 552179358 /nfs/dbraw/zinc/17/93/58/552179358.db2.gz YEFLYQOPVFAXEO-CYBMUJFWSA-N 0 0 395.276 2.977 10 0 GFAERN C[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000179253425 552188301 /nfs/dbraw/zinc/18/83/01/552188301.db2.gz WSECNMAZXNRZGG-SMDDNHRTSA-N 0 0 380.491 2.889 10 0 GFAERN C[C@H](NCC(=O)NCCCN1CCCC1=O)c1c(Cl)ccc(F)c1Cl ZINC000179539979 552195458 /nfs/dbraw/zinc/19/54/58/552195458.db2.gz RMGUZZASKQPSEI-NSHDSACASA-N 0 0 390.286 2.912 10 0 GFAERN CC(C)c1nnc2n1C[C@H](NC(=O)N(C)Cc1ccc(Br)o1)CC2 ZINC000181742850 552266824 /nfs/dbraw/zinc/26/68/24/552266824.db2.gz CYKVFFFDERMCIA-LLVKDONJSA-N 0 0 396.289 2.913 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1C ZINC000182393554 552283047 /nfs/dbraw/zinc/28/30/47/552283047.db2.gz JBMUPBLYJQFQHG-NSHDSACASA-N 0 0 384.889 2.534 10 0 GFAERN CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000182620959 552289083 /nfs/dbraw/zinc/28/90/83/552289083.db2.gz WOMBCYOGSVUFKY-LBPRGKRZSA-N 0 0 384.274 2.842 10 0 GFAERN O=C(CNC(=O)NC1(c2ccc(Br)cc2)CCC1)NCC1CC1 ZINC000182659228 552290027 /nfs/dbraw/zinc/29/00/27/552290027.db2.gz PAHZEJIVCFZVBE-UHFFFAOYSA-N 0 0 380.286 2.654 10 0 GFAERN Cc1cc(CNC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1Cl ZINC000182802227 552293639 /nfs/dbraw/zinc/29/36/39/552293639.db2.gz NLIOJRSDYZFARR-LBPRGKRZSA-N 0 0 381.885 2.856 10 0 GFAERN Cc1cc(S(=O)(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)c(C)o1 ZINC000183274118 552304487 /nfs/dbraw/zinc/30/44/87/552304487.db2.gz MYPDJYVTZIBKFL-OAHLLOKOSA-N 0 0 384.523 2.652 10 0 GFAERN CC(C)c1nnc(CS(=O)(=O)c2nnc(NC3CCCCC3)s2)n1C ZINC000183520100 552311854 /nfs/dbraw/zinc/31/18/54/552311854.db2.gz ZLIXNWAJFGEIEH-UHFFFAOYSA-N 0 0 384.531 2.509 10 0 GFAERN Cc1cc2cc(C(=O)N[C@@H]3CCc4ncnn4C3)oc2c(Br)c1 ZINC000183572477 552313515 /nfs/dbraw/zinc/31/35/15/552313515.db2.gz RUZOQBKMHYXAIW-LLVKDONJSA-N 0 0 375.226 2.840 10 0 GFAERN O=C(c1cccc(Br)c1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000183764023 552318738 /nfs/dbraw/zinc/31/87/38/552318738.db2.gz PLSCPAZLOFSYOO-NSHDSACASA-N 0 0 384.661 2.840 10 0 GFAERN C[C@@H](C(=O)N1Cc2cccc(Br)c2C1)N1C(=O)c2ccccc2C1=O ZINC000184233693 552330386 /nfs/dbraw/zinc/33/03/86/552330386.db2.gz QBPKCCGXJUYDMP-NSHDSACASA-N 0 0 399.244 2.976 10 0 GFAERN O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@@H]1CCCn2ncnc21 ZINC000184719895 552342904 /nfs/dbraw/zinc/34/29/04/552342904.db2.gz IFCJOQNIRJZUEO-CQSZACIVSA-N 0 0 389.257 2.856 10 0 GFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2Cl)C12CCOCC2 ZINC000185151565 552355954 /nfs/dbraw/zinc/35/59/54/552355954.db2.gz YIPSLWPQIPFHJP-CABCVRRESA-N 0 0 377.865 2.732 10 0 GFAERN C[C@@H](NC(=O)NC(C)(C)COc1ncccc1Br)[C@@H]1CCCO1 ZINC000185471514 552363955 /nfs/dbraw/zinc/36/39/55/552363955.db2.gz WAZYPOWADUPWGS-YPMHNXCESA-N 0 0 386.290 2.868 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1Cc2cccc(Br)c2C1 ZINC000185522041 552365093 /nfs/dbraw/zinc/36/50/93/552365093.db2.gz JPJZDGSRIXBOFQ-CQSZACIVSA-N 0 0 376.258 2.909 10 0 GFAERN O=C1CCCN1C[C@@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185642490 552368075 /nfs/dbraw/zinc/36/80/75/552368075.db2.gz VNXMXXSSBBLGFS-HOTGVXAUSA-N 0 0 385.277 2.708 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br ZINC000185773378 552370024 /nfs/dbraw/zinc/37/00/24/552370024.db2.gz KYKNBDWPSIWVGQ-JOYOIKCWSA-N 0 0 397.269 2.868 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000186631557 552392774 /nfs/dbraw/zinc/39/27/74/552392774.db2.gz COLLKYTWVPJZQK-UHFFFAOYSA-N 0 0 387.249 2.599 10 0 GFAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000186653640 552393678 /nfs/dbraw/zinc/39/36/78/552393678.db2.gz DLAHBCINYLVIPX-CYBMUJFWSA-N 0 0 389.279 2.770 10 0 GFAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCS[C@@H](C)C1 ZINC000187148946 552407900 /nfs/dbraw/zinc/40/79/00/552407900.db2.gz ZXLWCKYPVCZUFN-VIFPVBQESA-N 0 0 375.263 2.799 10 0 GFAERN CSc1ccccc1S(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000187234035 552410037 /nfs/dbraw/zinc/41/00/37/552410037.db2.gz BXDFJTGHZRGRMU-HNNXBMFYSA-N 0 0 380.539 2.718 10 0 GFAERN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC[C@H](n2cncn2)C1 ZINC000187917321 552427749 /nfs/dbraw/zinc/42/77/49/552427749.db2.gz KVWKSZMRIIJRDC-VIFPVBQESA-N 0 0 379.244 2.750 10 0 GFAERN O=C(NC1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1)C1CCC1 ZINC000188536473 552447142 /nfs/dbraw/zinc/44/71/42/552447142.db2.gz FCSCWGMAQKWDNC-JKSUJKDBSA-N 0 0 377.282 2.680 10 0 GFAERN CC(C)n1nnnc1CS(=O)(=O)Cc1ccc(Br)c(Cl)c1 ZINC000188839389 552456293 /nfs/dbraw/zinc/45/62/93/552456293.db2.gz HVRYGJYWTRPQSM-UHFFFAOYSA-N 0 0 393.694 2.785 10 0 GFAERN O=S(=O)(c1ccc(Cl)nc1Cl)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188875223 552457417 /nfs/dbraw/zinc/45/74/17/552457417.db2.gz DHWJGDLNPVFKAZ-QWRGUYRKSA-N 0 0 393.317 2.847 10 0 GFAERN O=C(Nc1cc(Br)c(F)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000189054010 552461971 /nfs/dbraw/zinc/46/19/71/552461971.db2.gz SUKASOVQNVUGFN-SNVBAGLBSA-N 0 0 390.228 2.666 10 0 GFAERN O=C(NC1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1)C1CC1 ZINC000189389510 552470207 /nfs/dbraw/zinc/47/02/07/552470207.db2.gz RZOGCMGRCYCCPY-UHFFFAOYSA-N 0 0 379.247 2.530 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cccc(Br)c1C ZINC000189394337 552470346 /nfs/dbraw/zinc/47/03/46/552470346.db2.gz UQUXTRKOOBNWGA-CQSZACIVSA-N 0 0 393.285 2.689 10 0 GFAERN O=C(N[C@H]1CCCC[C@H]1CO)c1nc(Br)ccc1Br ZINC000189480636 552472519 /nfs/dbraw/zinc/47/25/19/552472519.db2.gz XDCXVJGMMPFBST-WPRPVWTQSA-N 0 0 392.091 2.888 10 0 GFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190614263 552503287 /nfs/dbraw/zinc/50/32/87/552503287.db2.gz MVKDADFTDMQHGZ-LLVKDONJSA-N 0 0 386.214 2.622 10 0 GFAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2nc(Br)ccc2C)C1 ZINC000191349960 552526153 /nfs/dbraw/zinc/52/61/53/552526153.db2.gz DWUDBOLEXBNTDS-LBPRGKRZSA-N 0 0 378.274 2.784 10 0 GFAERN COCCN1CCN(C(=O)C2(c3ccccc3Br)CC2)C[C@@H]1C ZINC000191738348 552536578 /nfs/dbraw/zinc/53/65/78/552536578.db2.gz LZKKWOOBVHKMKJ-AWEZNQCLSA-N 0 0 381.314 2.660 10 0 GFAERN CCn1cc([C@H]2CN(C(=O)Cc3cccc(Br)c3)CCO2)cn1 ZINC000191799544 552538311 /nfs/dbraw/zinc/53/83/11/552538311.db2.gz JYRNDBTXERBJRK-MRXNPFEDSA-N 0 0 378.270 2.808 10 0 GFAERN Cc1c(Br)cccc1CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000191873828 552541210 /nfs/dbraw/zinc/54/12/10/552541210.db2.gz LCOSHZKSOSBQGU-HNNXBMFYSA-N 0 0 389.297 2.875 10 0 GFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1scc(C)c1Br ZINC000192057006 552548277 /nfs/dbraw/zinc/54/82/77/552548277.db2.gz GOEUGYMGTAPOJP-SECBINFHSA-N 0 0 385.287 2.822 10 0 GFAERN O=C(c1cccc(Br)c1F)N1CCCN(c2cccnn2)CC1 ZINC000192113676 552551352 /nfs/dbraw/zinc/55/13/52/552551352.db2.gz APXHKXDAYUBREL-UHFFFAOYSA-N 0 0 379.233 2.731 10 0 GFAERN COC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c1Br ZINC000192424945 552563043 /nfs/dbraw/zinc/56/30/43/552563043.db2.gz GIWIGSVXVFJBMQ-ZYHUDNBSSA-N 0 0 385.258 2.908 10 0 GFAERN Cc1sc(NC(=O)[C@@H](C)NC(N)=O)nc1-c1ccc(Br)cc1 ZINC000192848528 552976248 /nfs/dbraw/zinc/97/62/48/552976248.db2.gz ORTSNVXCCPAZLV-SSDOTTSWSA-N 0 0 383.271 2.876 10 0 GFAERN C[C@@H](NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[C@@H]1CCCO1 ZINC000192957427 552979179 /nfs/dbraw/zinc/97/91/79/552979179.db2.gz WSIMSKASBULGRX-BMIGLBTASA-N 0 0 381.270 2.560 10 0 GFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000193587865 552997645 /nfs/dbraw/zinc/99/76/45/552997645.db2.gz NBIIDWUMKXKGQU-JSGCOSHPSA-N 0 0 391.269 2.558 10 0 GFAERN O=C(c1cc(I)ccc1O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000193594042 552998215 /nfs/dbraw/zinc/99/82/15/552998215.db2.gz BJNQRBKFUVYJRW-TZMCWYRMSA-N 0 0 387.217 2.780 10 0 GFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3c(Cl)nc4ccccn43)CCO2)n1 ZINC000193950062 553007705 /nfs/dbraw/zinc/00/77/05/553007705.db2.gz NXEOKLSVCGJXKW-LLVKDONJSA-N 0 0 398.897 2.515 10 0 GFAERN Cn1c(C[S@](=O)Cc2noc(-c3ccc(Cl)cc3)n2)nnc1C1CC1 ZINC000194212611 553014805 /nfs/dbraw/zinc/01/48/05/553014805.db2.gz UXACLOHNZTUESN-RUZDIDTESA-N 0 0 377.857 2.845 10 0 GFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194383905 553019257 /nfs/dbraw/zinc/01/92/57/553019257.db2.gz AEFCUUGSOYXAEC-DOTOQJQBSA-N 0 0 390.281 2.949 10 0 GFAERN CC[C@H](NC(=O)CS(=O)(=O)Cc1nccn1CC)c1ccc(Cl)cc1 ZINC000194421463 553020207 /nfs/dbraw/zinc/02/02/07/553020207.db2.gz PMLCMMPSSMMJEA-HNNXBMFYSA-N 0 0 383.901 2.739 10 0 GFAERN C[C@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)c1ccc(Cl)c(Cl)c1 ZINC000195123532 553038986 /nfs/dbraw/zinc/03/89/86/553038986.db2.gz ROEZCRMIMLPBPV-QMMMGPOBSA-N 0 0 381.223 2.972 10 0 GFAERN CCc1csc([C@@H]2CCCN(CCNS(=O)(=O)c3ccccc3)C2)n1 ZINC000195383449 553046616 /nfs/dbraw/zinc/04/66/16/553046616.db2.gz ZUNLLZIJOFUQSG-OAHLLOKOSA-N 0 0 379.551 2.863 10 0 GFAERN O=C(c1ccc(I)cc1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238812238 553086747 /nfs/dbraw/zinc/08/67/47/553086747.db2.gz AOWSBVQSWISQDJ-CQSZACIVSA-N 0 0 394.212 2.980 10 0 GFAERN C[C@@H](C(=O)N1CCO[C@@H](C)[C@@H]1C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000246228552 553104495 /nfs/dbraw/zinc/10/44/95/553104495.db2.gz HNOLUXDQUGCIGF-GUBZILKMSA-N 0 0 385.247 2.614 10 0 GFAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1Br ZINC000246328715 553106417 /nfs/dbraw/zinc/10/64/17/553106417.db2.gz GAXSOKGBCAQOIO-IUODEOHRSA-N 0 0 382.302 2.541 10 0 GFAERN C[C@H](NC(=O)N[C@@H](C)[C@H](C)N1CCOCC1)c1ccccc1Br ZINC000246470158 553107907 /nfs/dbraw/zinc/10/79/07/553107907.db2.gz QQQUCEVWADKKPH-IHRRRGAJSA-N 0 0 384.318 2.919 10 0 GFAERN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246573358 553109839 /nfs/dbraw/zinc/10/98/39/553109839.db2.gz VOLZPUMEKDPVBJ-IIYDPXPESA-N 0 0 386.323 2.973 10 0 GFAERN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247537688 553123202 /nfs/dbraw/zinc/12/32/02/553123202.db2.gz CRNWTJKGWGXXTP-GXTWGEPZSA-N 0 0 383.279 2.918 10 0 GFAERN CCOCCN1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000247811705 553125746 /nfs/dbraw/zinc/12/57/46/553125746.db2.gz VCEOKIVPXKCFJK-CABCVRRESA-N 0 0 398.345 2.819 10 0 GFAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2Br)C[C@@H]1C ZINC000247815163 553125946 /nfs/dbraw/zinc/12/59/46/553125946.db2.gz WCQHVKCAPMCMOS-GJZGRUSLSA-N 0 0 398.345 2.737 10 0 GFAERN C[C@H]1CN([C@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)CCO1 ZINC000248336314 553128076 /nfs/dbraw/zinc/12/80/76/553128076.db2.gz GZORVWWMQYOXTF-XJKSGUPXSA-N 0 0 384.498 2.628 10 0 GFAERN C[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000253356257 553150956 /nfs/dbraw/zinc/15/09/56/553150956.db2.gz OOABZSIIRUHSPN-LOWVWBTDSA-N 0 0 377.268 2.600 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000262237194 553167877 /nfs/dbraw/zinc/16/78/77/553167877.db2.gz AOJZRVNUSBPLLS-UHFFFAOYSA-N 0 0 383.286 2.769 10 0 GFAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2ccccc2Br)C1 ZINC000262709607 553173843 /nfs/dbraw/zinc/17/38/43/553173843.db2.gz KYQTTYSHFLHDNI-UHFFFAOYSA-N 0 0 381.270 2.507 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(-c3ccc(Cl)s3)on2)C1 ZINC000262787981 553175813 /nfs/dbraw/zinc/17/58/13/553175813.db2.gz JXZPVUDDNWYNDH-UHFFFAOYSA-N 0 0 383.857 2.724 10 0 GFAERN CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000263418158 553187690 /nfs/dbraw/zinc/18/76/90/553187690.db2.gz NZETZCIWFJRCHK-LLVKDONJSA-N 0 0 388.258 2.604 10 0 GFAERN CC[N@H+](CC(=O)[O-])C1CCN(Cc2cc(OC)ccc2Br)CC1 ZINC000263581049 553189624 /nfs/dbraw/zinc/18/96/24/553189624.db2.gz WRENEGCZOMPDHT-UHFFFAOYSA-N 0 0 385.302 2.829 10 0 GFAERN CN1CC[C@@H](Nc2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)C1=O ZINC000301333390 563400912 /nfs/dbraw/zinc/40/09/12/563400912.db2.gz BFUMSRRBSWNMHT-SNVBAGLBSA-N 0 0 387.654 2.835 10 0 GFAERN COC(=O)Cn1ncc2c1ncnc2Oc1ccc(F)c(Br)c1 ZINC000302032640 563418741 /nfs/dbraw/zinc/41/87/41/563418741.db2.gz SPKPPBTYIAFROK-UHFFFAOYSA-N 0 0 381.161 2.693 10 0 GFAERN CCS(=O)(=O)N1CC(CNc2ccnc3ccc(Br)cc32)C1 ZINC000302605961 563426839 /nfs/dbraw/zinc/42/68/39/563426839.db2.gz ZOXOLAXXKFTQIF-UHFFFAOYSA-N 0 0 384.299 2.691 10 0 GFAERN Cc1noc([C@]2(O)CCN(S(=O)(=O)c3csc4ccc(Cl)cc43)C2)n1 ZINC000328613807 563461658 /nfs/dbraw/zinc/46/16/58/563461658.db2.gz UEQDZUVAPVMBQU-HNNXBMFYSA-N 0 0 399.881 2.528 10 0 GFAERN CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(Cc2cnc(Cl)s2)CC1 ZINC000328625389 563461784 /nfs/dbraw/zinc/46/17/84/563461784.db2.gz DCUYCWVJYVVGLH-OAHLLOKOSA-N 0 0 379.917 2.990 10 0 GFAERN C[C@@H]1[C@H](O)CCCN1C(=O)c1cc(Cl)ccc1I ZINC000394986718 563531213 /nfs/dbraw/zinc/53/12/13/563531213.db2.gz AXPBFGBYVMNHEB-PRHODGIISA-N 0 0 379.625 2.930 10 0 GFAERN C[C@H]1CC[C@H](O)CN1C(=O)c1ccc(I)c(Cl)c1 ZINC000399210951 563533662 /nfs/dbraw/zinc/53/36/62/563533662.db2.gz QVIGVTFGEHSESY-WPRPVWTQSA-N 0 0 379.625 2.930 10 0 GFAERN COC(=O)c1nn(-c2ccccc2)c(N)c1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000725254674 570280196 /nfs/dbraw/zinc/28/01/96/570280196.db2.gz PAOBIULSLRCFKZ-ZDUSSCGKSA-N 0 0 386.452 2.966 10 0 GFAERN COc1ccc(CCNC(=O)[C@]2(C)CCC(=O)N2Cc2ccccc2)cc1OC ZINC000004893072 570357982 /nfs/dbraw/zinc/35/79/82/570357982.db2.gz QSRYJGNVYFZHGO-QHCPKHFHSA-N 0 0 396.487 2.944 10 0 GFAERN C[C@@H](NC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)c1ccccc1 ZINC000006798669 570600173 /nfs/dbraw/zinc/60/01/73/570600173.db2.gz SYYWDZAJFQQFKP-ZBFHGGJFSA-N 0 0 399.520 2.759 10 0 GFAERN C[C@@]12[C@@H](C3=CC(=O)OC3)CC[C@@]1(O)[C@@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1C[C@H]2O ZINC000169682170 570784356 /nfs/dbraw/zinc/78/43/56/570784356.db2.gz SHIBSTMRCDJXLN-YBCZCVSHSA-N 0 0 390.520 2.575 10 0 GFAERN CC(=O)O[C@@H]1[C@@H](COC(=O)c2ccccc2)OC=C[C@@H]1OC(=O)c1ccccc1 ZINC000261507519 570789936 /nfs/dbraw/zinc/78/99/36/570789936.db2.gz JLIQXXWSKVCPLQ-ZCNNSNEGSA-N 0 0 396.395 2.913 10 0 GFAERN CCC1(CC)NC(=O)N(CC(=O)Oc2ccc(F)cc2Br)C1=O ZINC000044672699 654661982 /nfs/dbraw/zinc/66/19/82/654661982.db2.gz CCKVTOWDILLDBS-UHFFFAOYSA-N 0 0 387.205 2.604 10 0 GFAERN COC(=O)c1cc(I)cc(NC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000122827195 654743756 /nfs/dbraw/zinc/74/37/56/654743756.db2.gz WJDYKJBOOPNNQL-QPUJVOFHSA-N 0 0 389.189 2.584 10 0 GFAERN COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)c(C)n1 ZINC000126263711 654811797 /nfs/dbraw/zinc/81/17/97/654811797.db2.gz FQUWYIWWONKJOR-JTQLQIEISA-N 0 0 392.253 2.977 10 0 GFAERN O=C(COc1ccc(I)cc1)N[C@@H]1COc2ccccc21 ZINC000058729221 654821900 /nfs/dbraw/zinc/82/19/00/654821900.db2.gz PZJSVYQICQKHGA-CQSZACIVSA-N 0 0 395.196 2.920 10 0 GFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)CSCC(F)(F)F)CC1 ZINC000127035807 654823528 /nfs/dbraw/zinc/82/35/28/654823528.db2.gz WOGDCLBTRMAEGL-UHFFFAOYSA-N 0 0 398.882 2.576 10 0 GFAERN O=S(=O)(N[C@H](CO)c1ccccc1)c1cc(Br)cnc1Cl ZINC000063003572 654848642 /nfs/dbraw/zinc/84/86/42/654848642.db2.gz DTDFNFXAHNETRZ-LLVKDONJSA-N 0 0 391.674 2.509 10 0 GFAERN CCOCCN1CCN(C(=O)Nc2ccc(Br)c(C)n2)C[C@@H]1C ZINC000128640490 654849583 /nfs/dbraw/zinc/84/95/83/654849583.db2.gz CRZZOKQUYTUNNB-LBPRGKRZSA-N 0 0 385.306 2.727 10 0 GFAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000131364257 654903994 /nfs/dbraw/zinc/90/39/94/654903994.db2.gz FQLVAXDVMBOLPV-TXEJJXNPSA-N 0 0 388.917 2.666 10 0 GFAERN CC[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Cc1cccc(Br)c1 ZINC000132171552 654927621 /nfs/dbraw/zinc/92/76/21/654927621.db2.gz FNAHBAXNILXGPB-RHSMWYFYSA-N 0 0 398.345 2.648 10 0 GFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000132464602 654938482 /nfs/dbraw/zinc/93/84/82/654938482.db2.gz KSIAETATCHDNMW-CYBMUJFWSA-N 0 0 382.873 2.510 10 0 GFAERN CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000134283964 654989132 /nfs/dbraw/zinc/98/91/32/654989132.db2.gz UTMYAYRPYSYBNJ-RDJZCZTQSA-N 0 0 395.341 2.951 10 0 GFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000070690242 654993334 /nfs/dbraw/zinc/99/33/34/654993334.db2.gz FPPKPKCUPINHAZ-NSHDSACASA-N 0 0 379.258 2.734 10 0 GFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1cccc(Br)c1 ZINC000070705181 654993785 /nfs/dbraw/zinc/99/37/85/654993785.db2.gz CEGTZMRVUVOGLA-ZDUSSCGKSA-N 0 0 376.272 2.559 10 0 GFAERN C[C@@H](NC(=O)N[C@@H](C)CCS(C)(=O)=O)c1ccc(OC(F)(F)F)cc1 ZINC000134633669 654998563 /nfs/dbraw/zinc/99/85/63/654998563.db2.gz GQHJWVUETZDBJS-WDEREUQCSA-N 0 0 382.404 2.769 10 0 GFAERN CC(C)[C@H](NC(=O)NCC1(c2ccc(Br)cc2)CCC1)C(N)=O ZINC000134905994 655005688 /nfs/dbraw/zinc/00/56/88/655005688.db2.gz DLLPFLMZHMAUDM-AWEZNQCLSA-N 0 0 382.302 2.680 10 0 GFAERN CC[C@H](Cc1ccccc1Br)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000135880284 655025020 /nfs/dbraw/zinc/02/50/20/655025020.db2.gz GAQFNHMQGZYWBO-BZUAXINKSA-N 0 0 397.357 2.931 10 0 GFAERN Cc1cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)ncc1Br ZINC000096514894 655031424 /nfs/dbraw/zinc/03/14/24/655031424.db2.gz KUNMNIVPAJZXLO-SNVBAGLBSA-N 0 0 388.221 2.776 10 0 GFAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccnc(Cl)c1I ZINC000137208338 655038435 /nfs/dbraw/zinc/03/84/35/655038435.db2.gz QXERVRQZXZUKGD-HTQZYQBOSA-N 0 0 380.613 2.589 10 0 GFAERN CNc1ncc(C(=O)N[C@@H](CC(=O)OC)c2cccc(Br)c2)s1 ZINC000138234730 655042914 /nfs/dbraw/zinc/04/29/14/655042914.db2.gz ZJTQQUZHJMACDK-NSHDSACASA-N 0 0 398.282 2.982 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(Cn3nc(OC(C)C)sc3=S)CCO2)n1 ZINC000152872097 655062501 /nfs/dbraw/zinc/06/25/01/655062501.db2.gz NICYAJFYRPOFDT-AWEZNQCLSA-N 0 0 383.543 2.633 10 0 GFAERN CCCn1cc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)cn1 ZINC000153215695 655065605 /nfs/dbraw/zinc/06/56/05/655065605.db2.gz NGQMQXRLUOPOQS-LLVKDONJSA-N 0 0 379.258 2.872 10 0 GFAERN S=c1sc(N2CCCC2)nn1CN1CCC(Nc2cccnn2)CC1 ZINC000156478318 655093145 /nfs/dbraw/zinc/09/31/45/655093145.db2.gz OEHHOAOVVCRYJI-UHFFFAOYSA-N 0 0 377.543 2.598 10 0 GFAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2Br)C[C@H]1C ZINC000106108841 655102997 /nfs/dbraw/zinc/10/29/97/655102997.db2.gz WCQHVKCAPMCMOS-CABCVRRESA-N 0 0 398.345 2.737 10 0 GFAERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3cccc(Cl)c3Cl)CCO2)c1 ZINC000106198044 655105051 /nfs/dbraw/zinc/10/50/51/655105051.db2.gz FOXYZZFODHGGFP-ZDUSSCGKSA-N 0 0 383.279 2.838 10 0 GFAERN CC[C@H](O)CN1CCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000106395123 655107881 /nfs/dbraw/zinc/10/78/81/655107881.db2.gz RWRRUNJMJAXPID-AWEZNQCLSA-N 0 0 379.551 2.694 10 0 GFAERN C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000107356955 655120276 /nfs/dbraw/zinc/12/02/76/655120276.db2.gz RBRKGIZKCUYRGN-ZDUSSCGKSA-N 0 0 386.323 2.941 10 0 GFAERN COC(=O)NCCC(=O)O[C@@H](C)c1ccc(I)cc1 ZINC000107880334 655125683 /nfs/dbraw/zinc/12/56/83/655125683.db2.gz QXNIBCFFHKDAOE-VIFPVBQESA-N 0 0 377.178 2.642 10 0 GFAERN COC(=O)N[C@@H](C(=O)Oc1cccc(I)c1)C(C)C ZINC000108151538 655128501 /nfs/dbraw/zinc/12/85/01/655128501.db2.gz VIORCBCURDCDKT-LLVKDONJSA-N 0 0 377.178 2.577 10 0 GFAERN Cc1csc([C@@H]2CN(CN3C(=O)C(=O)c4c3cccc4Cl)CCO2)n1 ZINC000170638325 655144680 /nfs/dbraw/zinc/14/46/80/655144680.db2.gz BGNKLDVKKFNLTE-ZDUSSCGKSA-N 0 0 377.853 2.665 10 0 GFAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000170807593 655146309 /nfs/dbraw/zinc/14/63/09/655146309.db2.gz BGVRWNVKBKGHPD-BLLLJJGKSA-N 0 0 378.881 2.957 10 0 GFAERN C[C@H](OC(=O)[C@H]1CCN(C)C(=O)C1)c1ccc(I)cc1 ZINC000171107206 655148853 /nfs/dbraw/zinc/14/88/53/655148853.db2.gz WZRDLZDLZIKMHJ-JQWIXIFHSA-N 0 0 387.217 2.764 10 0 GFAERN Cc1nc(CN2CCCN(C(=O)c3cc(Br)cs3)CC2)no1 ZINC000110945645 655162473 /nfs/dbraw/zinc/16/24/73/655162473.db2.gz YUASCVZIEWZVHU-UHFFFAOYSA-N 0 0 385.287 2.550 10 0 GFAERN CC(C)(C(=O)N1CCO[C@H](Cn2cccn2)C1)c1cccc(Br)c1 ZINC000111083111 655164244 /nfs/dbraw/zinc/16/42/44/655164244.db2.gz CJZYCAHILQFLPD-INIZCTEOSA-N 0 0 392.297 2.851 10 0 GFAERN O=C(CCc1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111078869 655164248 /nfs/dbraw/zinc/16/42/48/655164248.db2.gz XCOOXSDIMNCOOB-INIZCTEOSA-N 0 0 378.270 2.506 10 0 GFAERN O=C(N1CCO[C@H](Cn2cccn2)C1)C1(c2cccc(Br)c2)CC1 ZINC000111085314 655164469 /nfs/dbraw/zinc/16/44/69/655164469.db2.gz SJUNALJCRYZGCJ-INIZCTEOSA-N 0 0 390.281 2.605 10 0 GFAERN CSc1ccc(S(=O)(=O)N2CCN(Cc3cnc(C)s3)CC2)cc1 ZINC000111345986 655169425 /nfs/dbraw/zinc/16/94/25/655169425.db2.gz ZUGBEDKDVKLJQJ-UHFFFAOYSA-N 0 0 383.564 2.680 10 0 GFAERN C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)C[C@H]1N1CCOCC1 ZINC000173406420 655170339 /nfs/dbraw/zinc/17/03/39/655170339.db2.gz WRHAUSXOTLAABF-IUODEOHRSA-N 0 0 393.281 2.988 10 0 GFAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3c(Cl)nc4ccccn43)C2)c1 ZINC000111361022 655171046 /nfs/dbraw/zinc/17/10/46/655171046.db2.gz XMQZFNAIAWXUNU-ZDUSSCGKSA-N 0 0 379.873 2.518 10 0 GFAERN CC(=O)N[C@H]1CCCN(Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000111684070 655176192 /nfs/dbraw/zinc/17/61/92/655176192.db2.gz CZNCWDZYBUNIEZ-HNNXBMFYSA-N 0 0 393.285 2.523 10 0 GFAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc(Br)cc3F)CCO2)c1 ZINC000112066701 655181545 /nfs/dbraw/zinc/18/15/45/655181545.db2.gz YFYMPWYCXAZWGL-CYBMUJFWSA-N 0 0 382.233 2.634 10 0 GFAERN O=C(c1csc(I)c1)N1CCN2CCCC[C@@H]2C1 ZINC000113423717 655210115 /nfs/dbraw/zinc/21/01/15/655210115.db2.gz QYVCNQGEOLHHLT-LLVKDONJSA-N 0 0 376.263 2.663 10 0 GFAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccc(Cl)s2)ncn1 ZINC000174002126 655189758 /nfs/dbraw/zinc/18/97/58/655189758.db2.gz BCFARELYGPZCNG-NSHDSACASA-N 0 0 380.905 2.701 10 0 GFAERN O=C(Nc1ccccc1I)N1CCC[C@@H](n2cncn2)C1 ZINC000174235431 655194461 /nfs/dbraw/zinc/19/44/61/655194461.db2.gz KPHDYNNBPPJZST-LLVKDONJSA-N 0 0 397.220 2.752 10 0 GFAERN C[C@H](CCc1ccc(Br)cc1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112745565 655197162 /nfs/dbraw/zinc/19/71/62/655197162.db2.gz LZXJRTIPOBXTNV-IUODEOHRSA-N 0 0 392.301 2.676 10 0 GFAERN CCc1csc([C@@H]2CCCN(C(=O)c3ccc(CS(C)(=O)=O)o3)C2)n1 ZINC000113203895 655205132 /nfs/dbraw/zinc/20/51/32/655205132.db2.gz WRYXXBHGOZNZBL-GFCCVEGCSA-N 0 0 382.507 2.863 10 0 GFAERN O=C(NCCc1ccc(Br)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000175029275 655212637 /nfs/dbraw/zinc/21/26/37/655212637.db2.gz JKRJZXQDHBVLBK-OAHLLOKOSA-N 0 0 378.274 2.630 10 0 GFAERN CS(=O)(=O)Nc1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccc1Cl ZINC000113887038 655215455 /nfs/dbraw/zinc/21/54/55/655215455.db2.gz OSSMZFNCRFEEMG-OAHLLOKOSA-N 0 0 382.873 2.802 10 0 GFAERN O=S(=O)(CCN1CCC(c2cc[nH]n2)CC1)c1cccc(Br)c1 ZINC000175619702 655224019 /nfs/dbraw/zinc/22/40/19/655224019.db2.gz RAGHAJCOSBLQFF-UHFFFAOYSA-N 0 0 398.326 2.826 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1cccc(Br)c1)CC2 ZINC000114863359 655229798 /nfs/dbraw/zinc/22/97/98/655229798.db2.gz PLORILMULBIWDN-AWEZNQCLSA-N 0 0 377.286 2.667 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Br)CC2 ZINC000114867740 655230035 /nfs/dbraw/zinc/23/00/35/655230035.db2.gz SUZMRRMLYUTAQW-RYUDHWBXSA-N 0 0 393.285 2.502 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cc(F)cc(Br)c1)CC2 ZINC000114939343 655230488 /nfs/dbraw/zinc/23/04/88/655230488.db2.gz JONYGQHUWOBIEG-ZDUSSCGKSA-N 0 0 396.264 2.556 10 0 GFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(Br)cc1C)CC2 ZINC000114964780 655231244 /nfs/dbraw/zinc/23/12/44/655231244.db2.gz PKYLJLRHIPGYNX-AWEZNQCLSA-N 0 0 392.301 2.726 10 0 GFAERN O=C(CCNC(=O)N[C@@H]1CCCC[C@H]1CO)Nc1ccc(Br)cc1 ZINC000175988077 655231650 /nfs/dbraw/zinc/23/16/50/655231650.db2.gz KVGNLRTZUVRINS-SWLSCSKDSA-N 0 0 398.301 2.628 10 0 GFAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cc(I)c[nH]3)C2)c1 ZINC000115372575 655236402 /nfs/dbraw/zinc/23/64/02/655236402.db2.gz YYBOQKBKPLAGNC-GFCCVEGCSA-N 0 0 384.221 2.602 10 0 GFAERN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000176950755 655263508 /nfs/dbraw/zinc/26/35/08/655263508.db2.gz KPDXYDKKNKMTHU-NHYWBVRUSA-N 0 0 399.285 2.859 10 0 GFAERN Cc1nnc([C@H]2CN(C(=O)Nc3cc(Br)ccc3F)CCO2)[nH]1 ZINC000177092773 655268061 /nfs/dbraw/zinc/26/80/61/655268061.db2.gz HZQVSRLBPFZVPO-GFCCVEGCSA-N 0 0 384.209 2.620 10 0 GFAERN COc1ccc([C@H](C)NC(=O)N[C@H]2CCCn3ncnc32)cc1Br ZINC000177373306 655274413 /nfs/dbraw/zinc/27/44/13/655274413.db2.gz VCGURYSSJUAGCZ-GWCFXTLKSA-N 0 0 394.273 2.945 10 0 GFAERN CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000177402334 655275402 /nfs/dbraw/zinc/27/54/02/655275402.db2.gz OFIXEDDXQCOYBL-QWRGUYRKSA-N 0 0 382.379 2.585 10 0 GFAERN C[C@H]1COC[C@H](C)N1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000177438716 655277119 /nfs/dbraw/zinc/27/71/19/655277119.db2.gz HXZUZDSWYAZCAD-RYUDHWBXSA-N 0 0 388.917 2.666 10 0 GFAERN O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177520868 655279442 /nfs/dbraw/zinc/27/94/42/655279442.db2.gz PAJODLRVGMDDHY-LBPRGKRZSA-N 0 0 386.260 2.989 10 0 GFAERN O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118669346 655280365 /nfs/dbraw/zinc/28/03/65/655280365.db2.gz LVEMDQVWLQAZKY-CYBMUJFWSA-N 0 0 381.263 2.947 10 0 GFAERN O=C(CCN1CCCS1(=O)=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000177957693 655292479 /nfs/dbraw/zinc/29/24/79/655292479.db2.gz BLBJLOAAZIPYMK-SMDDNHRTSA-N 0 0 391.320 2.639 10 0 GFAERN C[C@@H](NC(=O)NCc1sccc1Br)c1nnc2n1CCCC2 ZINC000178635632 655306477 /nfs/dbraw/zinc/30/64/77/655306477.db2.gz CFIYWRQIIUZPHH-SECBINFHSA-N 0 0 384.303 2.999 10 0 GFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3cccnc3Br)CCO2)n1 ZINC000119989550 655324214 /nfs/dbraw/zinc/32/42/14/655324214.db2.gz MLCDYBHZZJIUTC-ZDUSSCGKSA-N 0 0 394.273 2.590 10 0 GFAERN CC(=O)N1CCN(C(=O)[C@H](C)N[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000120720549 655343193 /nfs/dbraw/zinc/34/31/93/655343193.db2.gz SHJNYOAZLPUTAT-MNOVXSKESA-N 0 0 390.286 2.862 10 0 GFAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000186378534 655369176 /nfs/dbraw/zinc/36/91/76/655369176.db2.gz IAYUYQBWEXNFME-ZDUSSCGKSA-N 0 0 380.809 2.897 10 0 GFAERN CCc1cc2cc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)sc2s1 ZINC000222801255 655422193 /nfs/dbraw/zinc/42/21/93/655422193.db2.gz PWUURBCYCQXMQZ-CQSZACIVSA-N 0 0 378.519 2.989 10 0 GFAERN COC1CC(NS(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000230724517 655423566 /nfs/dbraw/zinc/42/35/66/655423566.db2.gz KZXMECXJLWNPHL-UHFFFAOYSA-N 0 0 399.104 2.667 10 0 GFAERN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245736745 655428326 /nfs/dbraw/zinc/42/83/26/655428326.db2.gz UWYCOARVLBOLJE-MELADBBJSA-N 0 0 379.551 2.690 10 0 GFAERN COC(=O)[C@@H]1CC[C@H](C(=O)O[C@@H](C)c2ccc(Br)cc2F)O1 ZINC000248701369 655433055 /nfs/dbraw/zinc/43/30/55/655433055.db2.gz NAJKQFIMFSHCIQ-AQUOVQTQSA-N 0 0 375.190 2.913 10 0 GFAERN O=S(=O)(/C=C\c1ccccc1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000255139537 655437448 /nfs/dbraw/zinc/43/74/48/655437448.db2.gz GJKFIQHTSXTODD-VIMDQOKKSA-N 0 0 379.503 2.873 10 0 GFAERN CSc1nc2ncnc(NC3CC([N@@H+](CC(=O)[O-])CC4CC4)C3)c2s1 ZINC000263567135 655452589 /nfs/dbraw/zinc/45/25/89/655452589.db2.gz XDPPMZJENKCANL-UHFFFAOYSA-N 0 0 379.511 2.548 10 0 GFAERN Cc1nc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1Br ZINC000702858679 655521901 /nfs/dbraw/zinc/52/19/01/655521901.db2.gz NVPCGOTXDJOBCC-DGCLKSJQSA-N 0 0 386.290 2.792 10 0 GFAERN