smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)Nc1nccs1 ZINC000005414845 291404572 /nfs/dbraw/zinc/40/45/72/291404572.db2.gz JJUBYBKHMOXUTO-KBPBESRZSA-N 0 0 440.491 5.071 40 0 biogenic,in-vitro IKABRN CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)Nc1ccccc1 ZINC000005414848 291404576 /nfs/dbraw/zinc/40/45/76/291404576.db2.gz JELXQKHIXQMSRD-IRXDYDNUSA-N 0 0 433.474 5.614 40 0 biogenic,in-vitro IKABRN CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCc1cccc2ccccc21 ZINC000008299884 291404577 /nfs/dbraw/zinc/40/45/77/291404577.db2.gz SAJGEZMKTZTWTL-ICSRJNTNSA-N 0 0 449.982 5.083 40 0 biogenic,in-vitro IKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000008382414 291404919 /nfs/dbraw/zinc/40/49/19/291404919.db2.gz FVYCOKNQUSFTBH-RFTNVYQZSA-N 0 0 448.644 5.137 40 0 biogenic,in-vitro IKABRN O=C(c1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cc4ccccc4s3)ccc12 ZINC000005410461 291411270 /nfs/dbraw/zinc/41/12/70/291411270.db2.gz YBMPDRPTTHGWRT-DOTOQJQBSA-N 0 0 432.570 5.051 40 0 biogenic,in-vitro IKABRN CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc32)cc1 ZINC000000648700 193871223 /nfs/dbraw/zinc/87/12/23/193871223.db2.gz FRHYBSDLXZACRL-UHFFFAOYSA-N 0 0 447.947 5.884 40 0 IKABRN CCCCOc1ccc(CNC(=O)c2sc3nc4ccc(OCC)cc4cc3c2N)cc1 ZINC000006077991 193877920 /nfs/dbraw/zinc/87/79/20/193877920.db2.gz NBTXPSRJIZERCN-UHFFFAOYSA-N 0 0 449.576 5.539 40 0 IKABRN CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000006134684 193880450 /nfs/dbraw/zinc/88/04/50/193880450.db2.gz SISIKAFUXWVUBL-KRWDZBQOSA-N 0 0 440.678 6.736 40 0 IKABRN Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1 ZINC000006246373 193894487 /nfs/dbraw/zinc/89/44/87/193894487.db2.gz SFPQKXRIBUMYEO-UHFFFAOYSA-N 0 0 449.579 7.082 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1NC(=O)C(C)C ZINC000223255256 193957684 /nfs/dbraw/zinc/95/76/84/193957684.db2.gz OANFURDDFJGHGC-UHFFFAOYSA-N 0 0 440.590 5.471 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F ZINC000223220487 193953590 /nfs/dbraw/zinc/95/35/90/193953590.db2.gz XNTXNMRDPNYADI-JOCHJYFZSA-N 0 0 444.616 5.089 40 0 IKABRN C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223224730 193954313 /nfs/dbraw/zinc/95/43/13/193954313.db2.gz MCUBGQYNUMSCLK-INIZCTEOSA-N 0 0 431.407 5.572 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223240007 193956518 /nfs/dbraw/zinc/95/65/18/193956518.db2.gz WIVMQQSQVOKLKM-FQEVSTJZSA-N 0 0 444.616 5.009 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000223322182 193966742 /nfs/dbraw/zinc/96/67/42/193966742.db2.gz IUUHJCMGVQRGTI-IBGZPJMESA-N 0 0 441.786 5.133 40 0 IKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1C(C)C ZINC000223267367 193959681 /nfs/dbraw/zinc/95/96/81/193959681.db2.gz KOHXCYFSEHPAOL-HXUWFJFHSA-N 0 0 433.617 6.910 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223269160 193960405 /nfs/dbraw/zinc/96/04/05/193960405.db2.gz FDXKDQLALRQRNC-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223270992 193960753 /nfs/dbraw/zinc/96/07/53/193960753.db2.gz GAGLAGRCJCRTRR-JOCHJYFZSA-N 0 0 426.626 5.118 40 0 IKABRN COc1cc(C)c([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1C(C)C ZINC000223327831 193967030 /nfs/dbraw/zinc/96/70/30/193967030.db2.gz DXGOJDOLDOOQQX-KRWDZBQOSA-N 0 0 448.401 5.763 40 0 IKABRN CCc1ccc(OCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c(Br)c1 ZINC000223328191 193967076 /nfs/dbraw/zinc/96/70/76/193967076.db2.gz YDMFUGIIFWOPRP-INIZCTEOSA-N 0 0 448.401 5.708 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223310399 193965151 /nfs/dbraw/zinc/96/51/51/193965151.db2.gz JQTWXPLEGSDQBG-AREMUKBSSA-N 0 0 444.619 5.803 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C ZINC000223312077 193965383 /nfs/dbraw/zinc/96/53/83/193965383.db2.gz BPEJOHVACNUJDS-QHCPKHFHSA-N 0 0 438.612 5.219 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223313447 193965488 /nfs/dbraw/zinc/96/54/88/193965488.db2.gz KOLAZIWITOIXAJ-GOSISDBHSA-N 0 0 449.422 5.568 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223313717 193965770 /nfs/dbraw/zinc/96/57/70/193965770.db2.gz JWTFYRLMTRTBMZ-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000223314060 193965776 /nfs/dbraw/zinc/96/57/76/193965776.db2.gz WLXHMTARLDNJQJ-WNCULLNHSA-N 0 0 442.603 5.092 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1 ZINC000223344540 193968958 /nfs/dbraw/zinc/96/89/58/193968958.db2.gz ZAONLCAOCBYFMI-QFIPXVFZSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C ZINC000223358066 193970820 /nfs/dbraw/zinc/97/08/20/193970820.db2.gz OGVAKSURSUJATP-OAQYLSRUSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 ZINC000223361122 193971448 /nfs/dbraw/zinc/97/14/48/193971448.db2.gz BOPFOHRSDWPLEC-HXUWFJFHSA-N 0 0 433.017 5.154 40 0 IKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1cccc2ccccc21 ZINC000408603089 193972561 /nfs/dbraw/zinc/97/25/61/193972561.db2.gz ARFDQGWYRNZYMK-UHFFFAOYSA-N 0 0 435.926 7.222 40 0 IKABRN COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408611595 193978504 /nfs/dbraw/zinc/97/85/04/193978504.db2.gz UFPDKCUGJHHGPE-UHFFFAOYSA-N 0 0 449.309 5.771 40 0 IKABRN COc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1OCc1ccccc1 ZINC000408612220 193978946 /nfs/dbraw/zinc/97/89/46/193978946.db2.gz UYWVQDFSRZEHAC-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408613638 193979670 /nfs/dbraw/zinc/97/96/70/193979670.db2.gz ZDRSDODPMABDSW-UHFFFAOYSA-N 0 0 438.301 6.861 40 0 IKABRN O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408616912 193982615 /nfs/dbraw/zinc/98/26/15/193982615.db2.gz ARPOHAALMLGSKV-UHFFFAOYSA-N 0 0 429.072 6.407 40 0 IKABRN CC(C)c1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408616994 193982619 /nfs/dbraw/zinc/98/26/19/193982619.db2.gz AYSCCYZADFOYSK-UHFFFAOYSA-N 0 0 436.708 6.877 40 0 IKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000408617437 193983082 /nfs/dbraw/zinc/98/30/82/193983082.db2.gz AMTKOIYECYDMTN-FPMFRTRJSA-N 0 0 448.349 5.738 40 0 IKABRN O=C(c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl)N1CCCc2ccccc21 ZINC000000848529 132231526 /nfs/dbraw/zinc/23/15/26/132231526.db2.gz IPFMZINOZLAMRD-UHFFFAOYSA-N 0 0 446.816 5.255 40 0 IKABRN COc1ccc(C2=C(Cl)C(=O)N(c3cccc(Cl)c3)C(=O)C2(Cl)Cl)cc1 ZINC000001584260 132245954 /nfs/dbraw/zinc/24/59/54/132245954.db2.gz PDCRFAPZQHAXAD-UHFFFAOYSA-N 0 0 431.102 5.046 40 0 IKABRN CN[P@@](=O)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2C)CC1 ZINC000001683834 132246301 /nfs/dbraw/zinc/24/63/01/132246301.db2.gz CMHPBWSNDXVJQX-HHHXNRCGSA-N 0 0 448.718 5.484 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H]3c4cc(Br)ccc4O[C@@]2(C)[C@@H]3C)cc1 ZINC000004767722 132274009 /nfs/dbraw/zinc/27/40/09/132274009.db2.gz CDYJOPUBMFPEPU-OACQNMCBSA-N 0 0 433.371 5.028 40 0 IKABRN Cc1ccc(COc2ccc(C(=S)N3CCN(c4cccc(Cl)c4)CC3)cc2)cc1 ZINC000009189233 132307774 /nfs/dbraw/zinc/30/77/74/132307774.db2.gz LOUPJFBIPFLUHT-UHFFFAOYSA-N 0 0 437.008 5.725 40 0 IKABRN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000009304364 132313109 /nfs/dbraw/zinc/31/31/09/132313109.db2.gz XYAHVIMQWBBBKK-IOHHAYIISA-N 0 0 448.420 5.257 40 0 IKABRN FC(F)(F)c1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000009876862 132330771 /nfs/dbraw/zinc/33/07/71/132330771.db2.gz CAOBWUINUURYIM-UHFFFAOYSA-N 0 0 434.314 5.531 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)cc1C ZINC000010112441 132334869 /nfs/dbraw/zinc/33/48/69/132334869.db2.gz XXUXDVKLLKNHSY-UHFFFAOYSA-N 0 0 434.561 5.006 40 0 IKABRN Cc1ccc(C)c(N2CCN(C(=O)c3cc4sccc4n3Cc3ccccc3)CC2)c1 ZINC000013083055 132344279 /nfs/dbraw/zinc/34/42/79/132344279.db2.gz GTGFPGXMPZCUDO-UHFFFAOYSA-N 0 0 429.589 5.330 40 0 IKABRN Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCN4C(=O)C3CCCC3)cs2)cn1 ZINC000013227234 132346175 /nfs/dbraw/zinc/34/61/75/132346175.db2.gz IPZCKSLCMGASHD-UHFFFAOYSA-N 0 0 446.576 5.235 40 0 IKABRN CCOC(=O)[C@@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(C)cc4)nn32)C1 ZINC000013562701 132349883 /nfs/dbraw/zinc/34/98/83/132349883.db2.gz CMMVAYGKHXLYBL-JOCHJYFZSA-N 0 0 440.547 5.151 40 0 IKABRN C[C@H]1CCc2cc(F)ccc2N1C(=O)CSc1ncc(-c2ccccc2)n1C1CCCC1 ZINC000013562208 132349898 /nfs/dbraw/zinc/34/98/98/132349898.db2.gz RUOGIQNLNKBBJR-SFHVURJKSA-N 0 0 449.595 6.264 40 0 IKABRN O=C(c1ccccc1OCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013687423 132353464 /nfs/dbraw/zinc/35/34/64/132353464.db2.gz QBXOYRLQWROYMI-UHFFFAOYSA-N 0 0 440.465 5.247 40 0 IKABRN O=C(NCc1ccco1)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013686771 132353486 /nfs/dbraw/zinc/35/34/86/132353486.db2.gz JDJBAJKOULPZBN-UHFFFAOYSA-N 0 0 441.512 6.044 40 0 IKABRN O=C(NCCSCc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 ZINC000013717108 132354050 /nfs/dbraw/zinc/35/40/50/132354050.db2.gz GLOPRHJHOIKRSG-UHFFFAOYSA-N 0 0 426.994 6.586 40 0 IKABRN Brc1ccc([C@@H](CCC2CC2)Sc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000020533912 518216019 /nfs/dbraw/zinc/21/60/19/518216019.db2.gz XOWRSWCWGKVRTO-GOSISDBHSA-N 0 0 439.382 6.292 40 0 IKABRN CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c1 ZINC000012380220 518423489 /nfs/dbraw/zinc/42/34/89/518423489.db2.gz GHVOMBLDMXBYRR-GQYOUUAKSA-N 0 0 445.518 5.313 40 0 IKABRN CC(=O)c1cccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)c1 ZINC000035291248 518433231 /nfs/dbraw/zinc/43/32/31/518433231.db2.gz MQUZLHANVJIVKY-UHFFFAOYSA-N 0 0 430.483 5.181 40 0 IKABRN CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CCc4ccccc4)C3)cc2N1 ZINC000012160643 518980731 /nfs/dbraw/zinc/98/07/31/518980731.db2.gz VGKIPOLCLWTSDN-RLLQIKCJSA-N 0 0 448.533 5.166 40 0 IKABRN CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)cc2N1 ZINC000012160624 518981272 /nfs/dbraw/zinc/98/12/72/518981272.db2.gz CIBZZCQOXBLLDK-NXHRZFHOSA-N 0 0 426.527 5.113 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(N4CCOCC4)cc3)c2)cc1 ZINC000020457838 519024225 /nfs/dbraw/zinc/02/42/25/519024225.db2.gz AEKMEAYQBYJOLD-UHFFFAOYSA-N 0 0 442.559 5.304 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000020488460 519024238 /nfs/dbraw/zinc/02/42/38/519024238.db2.gz YEVSWHBVEGKHKT-UHFFFAOYSA-N 0 0 427.953 5.669 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(Br)c1 ZINC000014649617 519039411 /nfs/dbraw/zinc/03/94/11/519039411.db2.gz RVFJWGAFGPXIGK-UHFFFAOYSA-N 0 0 431.157 6.071 40 0 IKABRN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(Cl)cc3)cc12 ZINC000035533887 519119459 /nfs/dbraw/zinc/11/94/59/519119459.db2.gz IBRSOCJIXXQVRG-UHFFFAOYSA-N 0 0 441.362 5.930 40 0 IKABRN CC(=O)C[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758105 519432708 /nfs/dbraw/zinc/43/27/08/519432708.db2.gz XZLQNGBVWLOETP-QGZVFWFLSA-N 0 0 435.980 6.509 40 0 IKABRN CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)[C@H](C)c4ccccc4)n3)ccc21 ZINC000012220027 519469391 /nfs/dbraw/zinc/46/93/91/519469391.db2.gz INUGOLXYNDTTCP-GOSISDBHSA-N 0 0 447.604 5.512 40 0 IKABRN CC(C)Cn1c2nnc(SCc3cccc(Cl)c3)n2c2ccc(Cl)cc2c1=O ZINC000032985590 519491640 /nfs/dbraw/zinc/49/16/40/519491640.db2.gz HPHGAMBIRHHESO-UHFFFAOYSA-N 0 0 433.364 5.299 40 0 IKABRN CC(C)CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 ZINC000041078214 519608000 /nfs/dbraw/zinc/60/80/00/519608000.db2.gz SVFAVNAZHSBQND-UHFFFAOYSA-N 0 0 433.986 5.665 40 0 IKABRN CC(=O)Nc1ccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\C(=O)c2ccccc2)cc1 ZINC000012311250 519708783 /nfs/dbraw/zinc/70/87/83/519708783.db2.gz YEORHGOYGSJLFA-PNHLSOANSA-N 0 0 447.947 5.559 40 0 IKABRN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000022508972 519718532 /nfs/dbraw/zinc/71/85/32/519718532.db2.gz WZJNRAUQBVGQFI-UHFFFAOYSA-N 0 0 434.561 5.248 40 0 IKABRN CC(C)COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610646 519762616 /nfs/dbraw/zinc/76/26/16/519762616.db2.gz JLXOPQHAJCFTQC-UHFFFAOYSA-N 0 0 428.536 5.831 40 0 IKABRN CC(C)[C@@H](CO)Nc1nc(-c2ccccc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328990300 519795932 /nfs/dbraw/zinc/79/59/32/519795932.db2.gz IMNWSLCSQQVPFT-LJQANCHMSA-N 0 0 432.355 5.318 40 0 IKABRN CC(C)[C@H](CO)Nc1nc(-c2ccccc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328989773 519816655 /nfs/dbraw/zinc/81/66/55/519816655.db2.gz IMNWSLCSQQVPFT-IBGZPJMESA-N 0 0 432.355 5.318 40 0 IKABRN CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc54)o3)CC2)on1 ZINC000100219440 519832196 /nfs/dbraw/zinc/83/21/96/519832196.db2.gz SAXNUWMXXWXYEU-MAEOIBBWSA-N 0 0 445.523 5.100 40 0 IKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000020610484 519834230 /nfs/dbraw/zinc/83/42/30/519834230.db2.gz KGZXILYELRGKQR-UHFFFAOYSA-N 0 0 425.319 6.103 40 0 IKABRN CC(C)c1ccc(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000225825032 519837917 /nfs/dbraw/zinc/83/79/17/519837917.db2.gz DLABPHBGOSPQTJ-UHFFFAOYSA-N 0 0 431.359 5.109 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610658 519838128 /nfs/dbraw/zinc/83/81/28/519838128.db2.gz HTPZWYSZERKLOW-UHFFFAOYSA-N 0 0 428.536 5.685 40 0 IKABRN CC(C)c1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4C(F)(F)F)nnc3c2c1 ZINC000035289673 519840566 /nfs/dbraw/zinc/84/05/66/519840566.db2.gz IVYBFDYHJBBFNZ-UHFFFAOYSA-N 0 0 445.470 5.379 40 0 IKABRN CC(C)c1ccc2c(c1)[C@@]1(C)CCC[C@@](C)(CNS(=O)(=O)c3ccc(F)cc3)[C@@H]1CC2 ZINC000035350645 519840688 /nfs/dbraw/zinc/84/06/88/519840688.db2.gz VFXUNXVHKCKVQJ-KKUQBAQOSA-N 0 0 443.628 5.938 40 0 IKABRN CC(C)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020495063 519846619 /nfs/dbraw/zinc/84/66/19/519846619.db2.gz CZGIKOGNPBJXNT-UHFFFAOYSA-N 0 0 428.941 5.517 40 0 IKABRN CC(C)c1ccccc1O[C@H](C)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000020481419 519847956 /nfs/dbraw/zinc/84/79/56/519847956.db2.gz KKCNURAMJSRUOI-OAHLLOKOSA-N 0 0 426.409 5.934 40 0 IKABRN CCCCC1CCC(C(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)CC1 ZINC000041089662 519919259 /nfs/dbraw/zinc/91/92/59/519919259.db2.gz RYSDTKOCKLQVLX-UHFFFAOYSA-N 0 0 437.540 5.110 40 0 IKABRN CCCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(CCCC)cc3)nc2cc1C ZINC000016637763 519930787 /nfs/dbraw/zinc/93/07/87/519930787.db2.gz XWXAKXYIWALFSM-UHFFFAOYSA-N 0 0 437.613 5.465 40 0 IKABRN CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000020633450 520419486 /nfs/dbraw/zinc/41/94/86/520419486.db2.gz JQJWGFSITUWADW-HSZRJFAPSA-N 0 0 435.524 5.074 40 0 IKABRN CCCOc1ccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000020633453 520432491 /nfs/dbraw/zinc/43/24/91/520432491.db2.gz JQJWGFSITUWADW-QHCPKHFHSA-N 0 0 435.524 5.074 40 0 IKABRN CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c1 ZINC000020610762 520447172 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CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610649 521769817 /nfs/dbraw/zinc/76/98/17/521769817.db2.gz PLRXTXSUHBYJPH-SFHVURJKSA-N 0 0 428.536 5.974 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000020457101 521777128 /nfs/dbraw/zinc/77/71/28/521777128.db2.gz UHKUGHTXKIJLMF-HSZRJFAPSA-N 0 0 438.574 5.418 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223178538 521830585 /nfs/dbraw/zinc/83/05/85/521830585.db2.gz JKUZWVLGIPWXSL-QFIPXVFZSA-N 0 0 429.004 5.124 40 0 IKABRN COC(=O)c1cc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)ccc1Cl ZINC000020451326 521888275 /nfs/dbraw/zinc/88/82/75/521888275.db2.gz BTGGNYZJLBPRHY-UHFFFAOYSA-N 0 0 434.923 5.332 40 0 IKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020460306 521925343 /nfs/dbraw/zinc/92/53/43/521925343.db2.gz HCAPIFJCZCCPER-IBGZPJMESA-N 0 0 444.575 6.205 40 0 IKABRN COc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000017086226 521948771 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ZINC000012493842 524290564 /nfs/dbraw/zinc/29/05/64/524290564.db2.gz VGQQLXINJAVCIU-UHFFFAOYSA-N 0 0 448.636 6.030 40 0 IKABRN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C(C)(C)O2 ZINC000012875409 524297093 /nfs/dbraw/zinc/29/70/93/524297093.db2.gz LCKFFQIDUKSJRJ-UHFFFAOYSA-N 0 0 432.495 5.399 40 0 IKABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3ccc(Cl)cc3)cc2c1 ZINC000012644299 524340880 /nfs/dbraw/zinc/34/08/80/524340880.db2.gz MNKKKXGSUZNJNA-UHFFFAOYSA-N 0 0 444.962 5.683 40 0 IKABRN Cc1cc(C)c2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)c(=O)[nH]c2c1 ZINC000012705009 524350774 /nfs/dbraw/zinc/35/07/74/524350774.db2.gz RIIWHHSGFPEFSA-UHFFFAOYSA-N 0 0 437.971 6.165 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CCCCC3)cc2c1 ZINC000012493819 524352528 /nfs/dbraw/zinc/35/25/28/524352528.db2.gz HLNJYPDCPLUSQD-UHFFFAOYSA-N 0 0 438.974 6.753 40 0 IKABRN Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000012646009 524417909 /nfs/dbraw/zinc/41/79/09/524417909.db2.gz DSPSMOGQEPTMLA-UHFFFAOYSA-N 0 0 445.950 6.033 40 0 IKABRN Cc1ccc(CN(Cc2cc3cc4c(cc3nc2Cl)OCO4)C(=O)c2ccco2)cc1 ZINC000035292100 524418103 /nfs/dbraw/zinc/41/81/03/524418103.db2.gz RYJMUJIULCDGJB-UHFFFAOYSA-N 0 0 434.879 5.361 40 0 IKABRN Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3ccc(F)cc32)c1 ZINC000012716323 524420984 /nfs/dbraw/zinc/42/09/84/524420984.db2.gz BTEJYULUEUBFCV-UHFFFAOYSA-N 0 0 435.499 5.923 40 0 IKABRN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 ZINC000041076885 524421256 /nfs/dbraw/zinc/42/12/56/524421256.db2.gz SEFGZZQNWJNKNG-UHFFFAOYSA-N 0 0 435.980 6.086 40 0 IKABRN COc1ccccc1CN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012478224 524427012 /nfs/dbraw/zinc/42/70/12/524427012.db2.gz RTZDDXQSBJRBLZ-RUZDIDTESA-N 0 0 446.547 5.121 40 0 IKABRN COc1ccccc1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)c1cccc(C)c1 ZINC000012644393 524442583 /nfs/dbraw/zinc/44/25/83/524442583.db2.gz ZWMHQSQFTCKMSQ-UHFFFAOYSA-N 0 0 440.543 5.305 40 0 IKABRN COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Cl ZINC000014649666 524502312 /nfs/dbraw/zinc/50/23/12/524502312.db2.gz OGZYTJLCCKVNLU-UHFFFAOYSA-N 0 0 426.738 5.426 40 0 IKABRN COc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl ZINC000034784071 524600354 /nfs/dbraw/zinc/60/03/54/524600354.db2.gz CGGPBILUIKWDCV-UHFFFAOYSA-N 0 0 437.952 5.477 40 0 IKABRN Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccc(Cl)c2)C4)cc1 ZINC000020796334 524650324 /nfs/dbraw/zinc/65/03/24/524650324.db2.gz RFNLLDUGJMUMPB-KRWDZBQOSA-N 0 0 434.952 5.291 40 0 IKABRN COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(Cl)cc2)=C(C)Nc2nc3ccccc3n21 ZINC000020797501 524743382 /nfs/dbraw/zinc/74/33/82/524743382.db2.gz LANZYIPLNKIIJO-HSZRJFAPSA-N 0 0 444.922 5.626 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc21 ZINC000012486787 524744611 /nfs/dbraw/zinc/74/46/11/524744611.db2.gz KEVLETLQKSBYSS-UHFFFAOYSA-N 0 0 437.927 6.129 40 0 IKABRN C[C@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000035944097 524799342 /nfs/dbraw/zinc/79/93/42/524799342.db2.gz YXOHRYLHCVUPMD-MOXQZVSFSA-N 0 0 442.648 6.359 40 0 IKABRN Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)c1 ZINC000020796094 524840930 /nfs/dbraw/zinc/84/09/30/524840930.db2.gz OBPSXAJIBUNSBL-KRWDZBQOSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)c1 ZINC000020796080 524886834 /nfs/dbraw/zinc/88/68/34/524886834.db2.gz DJSNJMXUFABEDP-QGZVFWFLSA-N 0 0 434.952 5.291 40 0 IKABRN COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)c3ccco3)c1)O[C@@H]1CCCC[C@@H]21 ZINC000012420193 524922323 /nfs/dbraw/zinc/92/23/23/524922323.db2.gz UOWXKHBODKGGSD-MPCDZSKCSA-N 0 0 433.504 5.695 40 0 IKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1F ZINC000328987629 524989906 /nfs/dbraw/zinc/98/99/06/524989906.db2.gz ICCVJXVKYQEENU-UHFFFAOYSA-N 0 0 446.448 5.432 40 0 IKABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1F ZINC000225111000 525006332 /nfs/dbraw/zinc/00/63/32/525006332.db2.gz QWFOCHDKMWPEKO-UHFFFAOYSA-N 0 0 429.557 5.127 40 0 IKABRN Cc1ccccc1-c1sc(=S)n2c1n(Cc1cccc(F)c1)c(=O)c1ccccc12 ZINC000020617856 525022378 /nfs/dbraw/zinc/02/23/78/525022378.db2.gz TZYQZVIAEXWPIT-UHFFFAOYSA-N 0 0 432.545 6.208 40 0 IKABRN Cc1ccccc1-n1c(CNc2ccc(Cl)cc2)nn(CC(=O)c2ccccc2)c1=S ZINC000016769333 525025484 /nfs/dbraw/zinc/02/54/84/525025484.db2.gz MDKDDJDQMGWYSB-UHFFFAOYSA-N 0 0 448.979 5.860 40 0 IKABRN Cc1ccccc1CC(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2ccncc2)cc1 ZINC000012256668 525096417 /nfs/dbraw/zinc/09/64/17/525096417.db2.gz NKGYKIUTSRLJDC-UHFFFAOYSA-N 0 0 436.559 5.496 40 0 IKABRN COc1ccc(S[C@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000020495122 525111308 /nfs/dbraw/zinc/11/13/08/525111308.db2.gz OHDNSLBQLQWNHK-QGZVFWFLSA-N 0 0 425.525 5.210 40 0 IKABRN Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 ZINC000020632593 525188569 /nfs/dbraw/zinc/18/85/69/525188569.db2.gz WLRZHEDDZAPROS-QGZVFWFLSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000016282437 525203741 /nfs/dbraw/zinc/20/37/41/525203741.db2.gz OGSQUVQGCJYIQU-UHFFFAOYSA-N 0 0 440.286 5.746 40 0 IKABRN C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000020493425 525219575 /nfs/dbraw/zinc/21/95/75/525219575.db2.gz FRBZJKUVQALIQZ-FQEVSTJZSA-N 0 0 433.617 6.646 40 0 IKABRN Cc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000020970461 525231270 /nfs/dbraw/zinc/23/12/70/525231270.db2.gz QIRUCPRFVIIHRE-HSZRJFAPSA-N 0 0 428.923 5.926 40 0 IKABRN Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020448470 525240204 /nfs/dbraw/zinc/24/02/04/525240204.db2.gz GANGVPDHWUNMCZ-MRXNPFEDSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000016282452 525251043 /nfs/dbraw/zinc/25/10/43/525251043.db2.gz AFLOXNXXZSIRBW-UHFFFAOYSA-N 0 0 425.271 5.355 40 0 IKABRN Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1C1CCCCC1 ZINC000012493872 525258198 /nfs/dbraw/zinc/25/81/98/525258198.db2.gz IDCCOHCQVTYUIH-LJQANCHMSA-N 0 0 434.609 5.802 40 0 IKABRN Cc1ccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1C ZINC000035533945 525282977 /nfs/dbraw/zinc/28/29/77/525282977.db2.gz LEYGEBUZIVZJKZ-UHFFFAOYSA-N 0 0 438.506 5.749 40 0 IKABRN Cc1ccc(NCc2nn(CC(=O)c3ccc(C)cc3)c(=S)n2-c2ccccc2)cc1 ZINC000016769164 525287563 /nfs/dbraw/zinc/28/75/63/525287563.db2.gz AZPKZTPINWGTFO-UHFFFAOYSA-N 0 0 428.561 5.515 40 0 IKABRN Cc1cc(N[C@H](NC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)no1 ZINC000012490582 525303209 /nfs/dbraw/zinc/30/32/09/525303209.db2.gz YUUIRIHCCSBENU-IKVITTDRSA-N 0 0 426.772 5.278 40 0 IKABRN Cc1ccccc1[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000020460791 525426232 /nfs/dbraw/zinc/42/62/32/525426232.db2.gz WNARWGXYZGOPBZ-HSZRJFAPSA-N 0 0 430.400 6.441 40 0 IKABRN Cc1c(/C=C2\N=C(c3ccccc3)OC2=O)c2ccccc2n1CCOc1cccc(C)c1 ZINC000041082787 525520410 /nfs/dbraw/zinc/52/04/10/525520410.db2.gz LSJAPCREJSKHPT-BWAHOGKJSA-N 0 0 436.511 5.682 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3C)c(Cl)c2)cc1 ZINC000020455322 525601288 /nfs/dbraw/zinc/60/12/88/525601288.db2.gz DZSMABCUTFPLGH-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 ZINC000020460508 525601590 /nfs/dbraw/zinc/60/15/90/525601590.db2.gz VWPXVCKIWJOAQH-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1ccc(SCCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020487236 525654517 /nfs/dbraw/zinc/65/45/17/525654517.db2.gz IHIVDPSCIBEYOM-UHFFFAOYSA-N 0 0 446.616 6.666 40 0 IKABRN COc1ccc2cnc([C@@H]3CCCN(C(=O)c4nsc(Cl)c4Cl)C3)cc2c1C ZINC000012187893 525655250 /nfs/dbraw/zinc/65/52/50/525655250.db2.gz IESCERMJWHYDET-CYBMUJFWSA-N 0 0 436.364 5.335 40 0 IKABRN Cc1cc2nc(-c3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3O)oc2cc1C ZINC000016284183 525667146 /nfs/dbraw/zinc/66/71/46/525667146.db2.gz XSHHFLISUFNJPC-UHFFFAOYSA-N 0 0 427.287 6.376 40 0 IKABRN COc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3/SC(=N)NC3=O)cc2c1 ZINC000021596687 525679656 /nfs/dbraw/zinc/67/96/56/525679656.db2.gz PSTWLMDQBBQSLG-LICLKQGHSA-N 0 0 427.938 5.187 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000020610989 525687709 /nfs/dbraw/zinc/68/77/09/525687709.db2.gz GCSXEXRNYIZOEY-UHFFFAOYSA-N 0 0 443.359 5.767 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000016284344 525688249 /nfs/dbraw/zinc/68/82/49/525688249.db2.gz AIYAETJWBGLZBV-SDNWHVSQSA-N 0 0 438.918 6.187 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccccc1 ZINC000016284562 525688587 /nfs/dbraw/zinc/68/85/87/525688587.db2.gz LPMCAWARAVZESL-UHFFFAOYSA-N 0 0 437.528 5.009 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000020454173 525716745 /nfs/dbraw/zinc/71/67/45/525716745.db2.gz NMDZTOZSZTULIA-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000245377551 525759402 /nfs/dbraw/zinc/75/94/02/525759402.db2.gz MNDJWAKEJGFTBX-KXTAGPOFSA-N 0 0 427.931 5.891 40 0 IKABRN Cc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2Br)c2ccccc2)cc1 ZINC000020481815 525769893 /nfs/dbraw/zinc/76/98/93/525769893.db2.gz QKUABDZECDRJGQ-QFIPXVFZSA-N 0 0 444.756 5.696 40 0 IKABRN Cc1ccc([C@@H](NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2)cc1 ZINC000022523264 525772365 /nfs/dbraw/zinc/77/23/65/525772365.db2.gz JOVSPVIJTUBTEP-MHZLTWQESA-N 0 0 441.958 6.747 40 0 IKABRN Cc1ccc([C@H](C(=O)NCc2cccs2)N(C(=O)c2cccs2)C2CCCC2)cc1 ZINC000012635792 525876134 /nfs/dbraw/zinc/87/61/34/525876134.db2.gz JJWDKONGVOKRAL-JOCHJYFZSA-N 0 0 438.618 5.561 40 0 IKABRN Cc1ccc(-c2sc(=S)n3c2n(Cc2ccc(F)cc2)c(=O)c2ccccc23)cc1 ZINC000020378574 525889499 /nfs/dbraw/zinc/88/94/99/525889499.db2.gz GPDONQMMEALPLQ-UHFFFAOYSA-N 0 0 432.545 6.208 40 0 IKABRN C[C@@]1(c2ccccc2)CC(c2ccccc2)=C[C@@](O)(c2ccccc2)[C@H]1C(=O)c1ccccc1 ZINC000012384234 525895631 /nfs/dbraw/zinc/89/56/31/525895631.db2.gz WXOFSVGQZXAZRK-OWHBQTKESA-N 0 0 444.574 6.819 40 0 IKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000044886436 525926196 /nfs/dbraw/zinc/92/61/96/525926196.db2.gz OORBTSVQPTVZAK-QGZVFWFLSA-N 0 0 435.951 6.275 40 0 IKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000020610438 525933104 /nfs/dbraw/zinc/93/31/04/525933104.db2.gz DCWGBTWGROFQJB-LBPRGKRZSA-N 0 0 445.281 5.272 40 0 IKABRN Cc1ccc([C@H](NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c2ccccc2)cc1 ZINC000020450757 525967532 /nfs/dbraw/zinc/96/75/32/525967532.db2.gz TVSIYSHEFIBLMM-GDLZYMKVSA-N 0 0 432.567 6.077 40 0 IKABRN Cc1c2cccc(F)c2oc1C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 ZINC000012755467 525972186 /nfs/dbraw/zinc/97/21/86/525972186.db2.gz PJIPJCYHBNVSAP-HXUWFJFHSA-N 0 0 430.483 5.176 40 0 IKABRN COc1cccc(CNC(=O)CSc2nc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000035311605 525973312 /nfs/dbraw/zinc/97/33/12/525973312.db2.gz QTVQUHYHNCPYFF-UHFFFAOYSA-N 0 0 429.545 5.022 40 0 IKABRN C[C@H](SCc1ccccc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020037077 525981928 /nfs/dbraw/zinc/98/19/28/525981928.db2.gz FOXRAQPQFKULQQ-IBGZPJMESA-N 0 0 431.601 6.476 40 0 IKABRN Cc1ccc(C(=O)Cn2nc(COc3ccccc3)n(-c3ccc(C)cc3)c2=S)cc1 ZINC000016769122 526052265 /nfs/dbraw/zinc/05/22/65/526052265.db2.gz ZONIISBLRSDMDN-UHFFFAOYSA-N 0 0 429.545 5.482 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1Cl ZINC000020152330 526143201 /nfs/dbraw/zinc/14/32/01/526143201.db2.gz VKBSLZYELQXNAI-UHFFFAOYSA-N 0 0 435.332 5.181 40 0 IKABRN COc1cccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)c1 ZINC000035290201 526206313 /nfs/dbraw/zinc/20/63/13/526206313.db2.gz HQGVURJDBRQTOU-UHFFFAOYSA-N 0 0 434.540 5.152 40 0 IKABRN Cc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c(Cl)c1 ZINC000017095184 526218977 /nfs/dbraw/zinc/21/89/77/526218977.db2.gz BLKBYYTUKWDTSK-UHFFFAOYSA-N 0 0 426.907 6.096 40 0 IKABRN Cc1ccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000012703930 526228582 /nfs/dbraw/zinc/22/85/82/526228582.db2.gz RHWJJWULAIQSNK-UHFFFAOYSA-N 0 0 437.971 6.165 40 0 IKABRN COc1cccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000020494986 526238246 /nfs/dbraw/zinc/23/82/46/526238246.db2.gz WGLHYTIRNPGANK-SFHVURJKSA-N 0 0 446.547 5.651 40 0 IKABRN Cc1ccc(C(=O)[C@@]2(C)[C@@H]3c4c(ccc5ccccc54)OC(=O)[C@@]32C(=O)c2ccco2)cc1 ZINC000012447549 526240818 /nfs/dbraw/zinc/24/08/18/526240818.db2.gz IZLCZMCKMFJVOT-LBNPDIFZSA-N 0 0 436.463 5.516 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020610690 526248220 /nfs/dbraw/zinc/24/82/20/526248220.db2.gz HADBSGFHAFEJSA-UHFFFAOYSA-N 0 0 442.563 5.993 40 0 IKABRN O=C(NCCCc1ccccc1Cl)c1ccc(OCCSc2ccccc2)cc1 ZINC000020454582 526278883 /nfs/dbraw/zinc/27/88/83/526278883.db2.gz LNJYXQYTWWEDBL-UHFFFAOYSA-N 0 0 425.981 5.874 40 0 IKABRN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000012548966 526287426 /nfs/dbraw/zinc/28/74/26/526287426.db2.gz UVWGKYLODFTVNF-FCORRRHLSA-N 0 0 434.411 5.800 40 0 IKABRN O=C(C=C(c1ccccc1)c1ccccc1)NC(=O)C=C(c1ccccc1)c1ccccc1 ZINC000001724095 526315169 /nfs/dbraw/zinc/31/51/69/526315169.db2.gz RLNQTKYBAZTZNR-UHFFFAOYSA-N 0 0 429.519 5.893 40 0 IKABRN Fc1ccc(/N=c2\scc(-c3ccccc3Cl)n2Cc2ccc(Cl)cc2)cc1 ZINC000012559499 526322863 /nfs/dbraw/zinc/32/28/63/526322863.db2.gz AKBZGNFXWUWXDH-ROMGYVFFSA-N 0 0 429.347 6.943 40 0 IKABRN Fc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=S)Nc2cccc(Cl)c2)cc1 ZINC000035291240 526329807 /nfs/dbraw/zinc/32/98/07/526329807.db2.gz UWMVQKBHYWVIAL-UHFFFAOYSA-N 0 0 438.959 5.797 40 0 IKABRN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000012184716 526336336 /nfs/dbraw/zinc/33/63/36/526336336.db2.gz KQWGVUFEPCBFTF-UHFFFAOYSA-N 0 0 428.960 5.018 40 0 IKABRN Fc1ccc(COc2ccc(-c3noc(COc4cccc(Cl)c4Cl)n3)cc2)cc1 ZINC000035316227 526341755 /nfs/dbraw/zinc/34/17/55/526341755.db2.gz XHDUHLAPMOZFBB-UHFFFAOYSA-N 0 0 445.277 6.341 40 0 IKABRN Fc1ccc2nc(-c3ccc(Br)cc3)nc(SCC3CCCCC3)c2c1 ZINC000012487965 526377063 /nfs/dbraw/zinc/37/70/63/526377063.db2.gz MRNMHHMQSBUPNW-UHFFFAOYSA-N 0 0 431.374 6.871 40 0 IKABRN S=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000012878386 526384870 /nfs/dbraw/zinc/38/48/70/526384870.db2.gz UUOLJUDPRGNMCD-UHFFFAOYSA-N 0 0 449.432 5.636 40 0 IKABRN Fc1cccc(Nc2nc(Nc3ccc(Cl)cc3)nc3c2cnn3-c2ccccc2)c1 ZINC000009648419 526395905 /nfs/dbraw/zinc/39/59/05/526395905.db2.gz ZEGKXJYEAJENKU-UHFFFAOYSA-N 0 0 430.874 6.095 40 0 IKABRN O=C(OCC1c2ccccc2-c2ccccc21)N1CCc2c(Cl)nc(Cl)nc2C1 ZINC000035269847 526418743 /nfs/dbraw/zinc/41/87/43/526418743.db2.gz GXPAXPHMFPCJGO-UHFFFAOYSA-N 0 0 426.303 5.091 40 0 IKABRN O=C(c1ccc(Br)cc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000012711564 526661779 /nfs/dbraw/zinc/66/17/79/526661779.db2.gz PHGYBNVJNKINKQ-UHFFFAOYSA-N 0 0 449.373 6.420 40 0 IKABRN O=C(NCc1ccc(F)cc1)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)c1ccco1 ZINC000035312317 526673584 /nfs/dbraw/zinc/67/35/84/526673584.db2.gz PKRSGZXUGCODON-QHCPKHFHSA-N 0 0 448.519 5.180 40 0 IKABRN O=C(c1cccc(F)c1)N(Cc1cc2cc3c(cc2nc1Cl)OCO3)C1CCCC1 ZINC000012493960 526763376 /nfs/dbraw/zinc/76/33/76/526763376.db2.gz NRDMGYXXZAFUFW-UHFFFAOYSA-N 0 0 426.875 5.341 40 0 IKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@@H]1c1nn(C)cc1Cl ZINC000012133822 526849195 /nfs/dbraw/zinc/84/91/95/526849195.db2.gz AGQBDDRZOMHYSV-QGZVFWFLSA-N 0 0 433.339 5.448 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2C)c(C(=O)c2ccc(Br)cc2)c1C ZINC000012484652 526885127 /nfs/dbraw/zinc/88/51/27/526885127.db2.gz AIZYKCOPIUNKNZ-UHFFFAOYSA-N 0 0 428.351 5.919 40 0 IKABRN Cc1sc2c(c1C)C(c1ccccc1C)=NCC(=O)N2CC(=O)Nc1c(C)cccc1C ZINC000012833946 526887251 /nfs/dbraw/zinc/88/72/51/526887251.db2.gz QQQGVIVYONIMHD-UHFFFAOYSA-N 0 0 445.588 5.113 40 0 IKABRN O=C(c1nn2c(nc3c(c2C(F)(F)F)CCc2ccccc2-3)c1Cl)N1CCCCCC1 ZINC000012844323 526928702 /nfs/dbraw/zinc/92/87/02/526928702.db2.gz VSVIOGHLAZIFTN-UHFFFAOYSA-N 0 0 448.876 5.183 40 0 IKABRN Clc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000036056436 526938341 /nfs/dbraw/zinc/93/83/41/526938341.db2.gz AMGADLQGZRNVQK-PDJLYPKISA-N 0 0 433.382 7.794 40 0 IKABRN Clc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(Cl)cc3)=NN2)cc1 ZINC000012486617 526942561 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O=C(COc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(F)c(Cl)c1 ZINC000012846638 527004046 /nfs/dbraw/zinc/00/40/46/527004046.db2.gz JLYBFJJPGOVWDX-UHFFFAOYSA-N 0 0 431.798 5.034 40 0 IKABRN O=C(CSC1=N[C@H](C(F)(F)F)C[C@H](c2ccccc2)N1)Nc1ccc(Cl)cc1 ZINC000012848144 527011385 /nfs/dbraw/zinc/01/13/85/527011385.db2.gz BYHXSIPDCNVOCY-CVEARBPZSA-N 0 0 427.879 5.033 40 0 IKABRN O=C1C[C@@H](c2ccc(F)cc2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 ZINC000020671402 527022696 /nfs/dbraw/zinc/02/26/96/527022696.db2.gz KUVWRSCABUITLY-HNNXBMFYSA-N 0 0 438.915 5.122 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(CSc2ccccc2)cc1 ZINC000022523117 527022657 /nfs/dbraw/zinc/02/26/57/527022657.db2.gz OLEPNTRCHWGGNQ-UHFFFAOYSA-N 0 0 448.440 7.158 40 0 IKABRN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(/C=C/c2ccccc2)cc1 ZINC000020508774 527059216 /nfs/dbraw/zinc/05/92/16/527059216.db2.gz IZJHTJWNRAICHW-VOTSOKGWSA-N 0 0 436.989 6.851 40 0 IKABRN O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)Nc1cc(Cl)ccc1Cl ZINC000035288806 527089207 /nfs/dbraw/zinc/08/92/07/527089207.db2.gz QWKFIDNDRCNLOX-UHFFFAOYSA-N 0 0 439.327 5.710 40 0 IKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020429054 527090614 /nfs/dbraw/zinc/09/06/14/527090614.db2.gz APTCGSVVXJSSCQ-UHFFFAOYSA-N 0 0 443.374 6.401 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2cc3ccccc3nc2s1 ZINC000226095809 527102868 /nfs/dbraw/zinc/10/28/68/527102868.db2.gz DLNWLHKTJZGYFO-UHFFFAOYSA-N 0 0 440.368 6.739 40 0 IKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 ZINC000033616175 527103310 /nfs/dbraw/zinc/10/33/10/527103310.db2.gz TUTOPTQYNXNIAI-FYJGNVAPSA-N 0 0 439.895 6.299 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016429532 527103749 /nfs/dbraw/zinc/10/37/49/527103749.db2.gz KMEOXXHWESQMQP-UHFFFAOYSA-N 0 0 448.872 6.861 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000014427241 527111433 /nfs/dbraw/zinc/11/14/33/527111433.db2.gz WTYMCGRNIBAQOD-UHFFFAOYSA-N 0 0 447.771 5.074 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235476 527114098 /nfs/dbraw/zinc/11/40/98/527114098.db2.gz XZLSGQYERGOEGZ-UHFFFAOYSA-N 0 0 430.891 5.646 40 0 IKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000017101700 527172364 /nfs/dbraw/zinc/17/23/64/527172364.db2.gz XBSMCQKNJYKUQT-UHFFFAOYSA-N 0 0 437.755 5.831 40 0 IKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020459422 527173638 /nfs/dbraw/zinc/17/36/38/527173638.db2.gz TYEAOPHVCPAXRN-UHFFFAOYSA-N 0 0 444.884 6.564 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccc(Br)cc1 ZINC000022072561 527174454 /nfs/dbraw/zinc/17/44/54/527174454.db2.gz IGLKSRYDROEBLP-UHFFFAOYSA-N 0 0 437.124 6.147 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000022072569 527175112 /nfs/dbraw/zinc/17/51/12/527175112.db2.gz VLQXWAOKSTZDIB-UHFFFAOYSA-N 0 0 427.118 6.691 40 0 IKABRN Cc1nc2ccccn2c1-c1nnc2sc(/C=C/c3ccc(Cl)cc3Cl)nn21 ZINC000227143670 527176496 /nfs/dbraw/zinc/17/64/96/527176496.db2.gz JMYRTCXEMKQFMY-SOFGYWHQSA-N 0 0 427.320 5.286 40 0 IKABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(-c2ccccc2)cc1 ZINC000020611512 527228715 /nfs/dbraw/zinc/22/87/15/527228715.db2.gz MWMRVRUVHYADBV-UHFFFAOYSA-N 0 0 437.337 5.205 40 0 IKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccc(F)c(Cl)c1 ZINC000022072909 527240202 /nfs/dbraw/zinc/24/02/02/527240202.db2.gz CABGRFWQYBORKP-UHFFFAOYSA-N 0 0 425.769 5.769 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1cccs1 ZINC000021305892 527256584 /nfs/dbraw/zinc/25/65/84/527256584.db2.gz FVSJCHDTPDIGFM-UHFFFAOYSA-N 0 0 427.334 5.108 40 0 IKABRN Cc1ncc(NC(=O)COc2ccc(C)cc2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124354 527294071 /nfs/dbraw/zinc/29/40/71/527294071.db2.gz VETHZJIIADHVQY-UHFFFAOYSA-N 0 0 438.940 5.284 40 0 IKABRN O=C(Nc1ccc2ccccc2c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020486000 527297249 /nfs/dbraw/zinc/29/72/49/527297249.db2.gz LNUNBSRMKRTQNL-UHFFFAOYSA-N 0 0 436.920 5.546 40 0 IKABRN O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(Br)cc1 ZINC000022072618 527324779 /nfs/dbraw/zinc/32/47/79/527324779.db2.gz WLSIGMDVCZWFTI-UHFFFAOYSA-N 0 0 447.130 5.603 40 0 IKABRN O=C(Nc1cccc(Cl)c1)N1N=C2[C@@H](CCC[C@@H]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000035132271 527342588 /nfs/dbraw/zinc/34/25/88/527342588.db2.gz OXLKVVAPTOWHKX-YMVVMYQSSA-N 0 0 443.978 6.944 40 0 IKABRN O=C(Nc1cccc(Cl)c1)c1cc(=O)n(-c2ccccc2)/c(=N/c2ccccc2)s1 ZINC000012628584 527343402 /nfs/dbraw/zinc/34/34/02/527343402.db2.gz YSPIIHNNEVJRPQ-RWEWTDSWSA-N 0 0 433.920 5.037 40 0 IKABRN O=C(Nc1ccccc1-c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000035314128 527402164 /nfs/dbraw/zinc/40/21/64/527402164.db2.gz XAFUKHIWGMBGES-UHFFFAOYSA-N 0 0 442.515 5.252 40 0 IKABRN O=C(Nc1ccccc1Br)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000022072647 527407907 /nfs/dbraw/zinc/40/79/07/527407907.db2.gz ZSXJQQAURHOPPT-UHFFFAOYSA-N 0 0 436.231 5.859 40 0 IKABRN O=C(Nc1ccccc1Br)c1cccnc1Nc1ccccc1Br ZINC000022072684 527408198 /nfs/dbraw/zinc/40/81/98/527408198.db2.gz IHYQSMTZVTYRAU-UHFFFAOYSA-N 0 0 447.130 5.603 40 0 IKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258600 527408719 /nfs/dbraw/zinc/40/87/19/527408719.db2.gz QSNXVSZDTODCAP-UHFFFAOYSA-N 0 0 448.950 5.797 40 0 IKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020450291 527435749 /nfs/dbraw/zinc/43/57/49/527435749.db2.gz XTFKSHALLGXVAS-UHFFFAOYSA-N 0 0 436.580 6.653 40 0 IKABRN O=c1c(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)coc2ccccc21 ZINC000012185767 527450571 /nfs/dbraw/zinc/45/05/71/527450571.db2.gz WKDNCCREVKNOCI-NRFANRHFSA-N 0 0 444.487 5.294 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020450676 527466507 /nfs/dbraw/zinc/46/65/07/527466507.db2.gz HOFGJSSJAKOIRQ-UHFFFAOYSA-N 0 0 432.567 6.159 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000020610394 527605187 /nfs/dbraw/zinc/60/51/87/527605187.db2.gz XLGJVLCHRMJTKU-SDNWHVSQSA-N 0 0 442.425 5.611 40 0 IKABRN FC(F)(F)c1cccc(COCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000022863001 527684864 /nfs/dbraw/zinc/68/48/64/527684864.db2.gz UDKDJEBYTLAKEE-UHFFFAOYSA-N 0 0 446.435 5.059 40 0 IKABRN FC(F)(F)c1cccc(Nc2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)c1 ZINC000016399445 527686462 /nfs/dbraw/zinc/68/64/62/527686462.db2.gz CXCPRDUADDCIAO-UHFFFAOYSA-N 0 0 441.200 5.826 40 0 IKABRN CC(C)(C)c1cc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc(C(C)(C)C)c1O ZINC000009188005 535106521 /nfs/dbraw/zinc/10/65/21/535106521.db2.gz XKQZWHIQZVSSKN-UHFFFAOYSA-N 0 0 445.072 6.138 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Cl)cc2Cl)cc(Br)c1OCC ZINC000034719629 555506431 /nfs/dbraw/zinc/50/64/31/555506431.db2.gz IZGWYFFRXRKFMV-UHFFFAOYSA-N 0 0 433.129 5.806 40 0 IKABRN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)c1 ZINC000009059422 555508491 /nfs/dbraw/zinc/50/84/91/555508491.db2.gz NYVRXFPSGIVMMH-LJQANCHMSA-N 0 0 440.572 5.942 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000034854231 555509959 /nfs/dbraw/zinc/50/99/59/555509959.db2.gz PKOXILCHQWUKRE-UHFFFAOYSA-N 0 0 444.358 6.840 40 0 IKABRN CCOc1c(Br)cc(C(=O)Nc2cccc(O)c2)cc1OCc1ccccc1 ZINC000034848841 555510031 /nfs/dbraw/zinc/51/00/31/555510031.db2.gz CARLASLLGMBVGZ-UHFFFAOYSA-N 0 0 442.309 5.385 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC ZINC000034857045 555510273 /nfs/dbraw/zinc/51/02/73/555510273.db2.gz WSRVPEBLDDMTNN-UHFFFAOYSA-N 0 0 433.129 5.806 40 0 IKABRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cccnc3)c1)CC2 ZINC000000601841 555510780 /nfs/dbraw/zinc/51/07/80/555510780.db2.gz RRJLJKRFFRZRAF-UHFFFAOYSA-N 0 0 431.389 5.510 40 0 in-vitro IKABRN O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000034838237 555510785 /nfs/dbraw/zinc/51/07/85/555510785.db2.gz GZLCFJZGXKBRNC-UHFFFAOYSA-N 0 0 440.282 5.784 40 0 IKABRN CC1=Nc2ccccc2SC1c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc(N)n1 ZINC000000634436 555516420 /nfs/dbraw/zinc/51/64/20/555516420.db2.gz YXTKZZGPHYAZBU-UHFFFAOYSA-N 0 0 444.347 5.524 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1C ZINC000034890922 555542890 /nfs/dbraw/zinc/54/28/90/555542890.db2.gz NNSCDSWLFXEXTK-UHFFFAOYSA-N 0 0 427.344 6.853 40 0 IKABRN COc1cccc(CC[C@@]2(O)CCC[C@H]3[C@@H]2CCC[C@]3(O)CCc2cccc(OC)c2)c1 ZINC000034914719 555563507 /nfs/dbraw/zinc/56/35/07/555563507.db2.gz IPWGEHIMZTUZSY-LJWNLINESA-N 0 0 438.608 5.332 40 0 IKABRN O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ccc3[nH]2)cc1)C1CCCCC1 ZINC000000842889 555568440 /nfs/dbraw/zinc/56/84/40/555568440.db2.gz HVQXNCQKIFTORZ-UHFFFAOYSA-N 0 0 444.579 6.268 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000000848509 555570165 /nfs/dbraw/zinc/57/01/65/555570165.db2.gz HSVXOVUSDMIPTI-UHFFFAOYSA-N 0 0 441.196 5.567 40 0 IKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000869109 555574708 /nfs/dbraw/zinc/57/47/08/555574708.db2.gz ILIBWRHTMSUCPQ-UHFFFAOYSA-N 0 0 448.979 5.551 40 0 IKABRN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc4c(c32)CC[C@@H](C)C4)cc1 ZINC000000881258 555577502 /nfs/dbraw/zinc/57/75/02/555577502.db2.gz GHHQNJYMALKJES-TZMCWYRMSA-N 0 0 425.579 5.138 40 0 IKABRN O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1ccc(F)cc1F ZINC000000883845 555578378 /nfs/dbraw/zinc/57/83/78/555578378.db2.gz QVLZJUSLOXTTLX-UHFFFAOYSA-N 0 0 425.382 5.171 40 0 IKABRN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000000997085 555599007 /nfs/dbraw/zinc/59/90/07/555599007.db2.gz FOTZLFOLOUQLQC-UHFFFAOYSA-N 0 0 439.309 5.027 40 0 IKABRN Cc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(-c4cccs4)c3c2N)nc1 ZINC000001056220 555614563 /nfs/dbraw/zinc/61/45/63/555614563.db2.gz JDVSWUMKHLOYLX-UHFFFAOYSA-N 0 0 434.468 5.582 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)c(C)c1 ZINC000001261886 555688131 /nfs/dbraw/zinc/68/81/31/555688131.db2.gz MWUZQUNUXDHCAL-UHFFFAOYSA-N 0 0 449.967 5.126 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3o2)cc1 ZINC000001265027 555688343 /nfs/dbraw/zinc/68/83/43/555688343.db2.gz HAKVAUWXPOSGHR-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000001266847 555688402 /nfs/dbraw/zinc/68/84/02/555688402.db2.gz VEYOFMSVMANQBW-JXMROGBWSA-N 0 0 439.302 5.388 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001265712 555688419 /nfs/dbraw/zinc/68/84/19/555688419.db2.gz CZIPTLWADLQLLE-BQYQJAHWSA-N 0 0 440.286 5.857 40 0 IKABRN Cc1ccc(CSc2nnc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)o2)cc1 ZINC000001328969 555690270 /nfs/dbraw/zinc/69/02/70/555690270.db2.gz OCQKAPSFDCOROC-UHFFFAOYSA-N 0 0 437.546 5.138 40 0 aggregator IKABRN CCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC ZINC000001324460 555690282 /nfs/dbraw/zinc/69/02/82/555690282.db2.gz SBKNGIWJJLLOQG-UHFFFAOYSA-N 0 0 426.557 5.772 40 0 IKABRN CCOc1ccc(OCC)c(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)c1 ZINC000009969799 555690990 /nfs/dbraw/zinc/69/09/90/555690990.db2.gz HHERXJNLOSGKNM-UHFFFAOYSA-N 0 0 438.524 5.940 40 0 IKABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccc(F)cc2)n1C1CCCC1 ZINC000001339953 555691185 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IKABRN O=C(CCS(=O)(=O)CCC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000001563775 555703235 /nfs/dbraw/zinc/70/32/35/555703235.db2.gz DPYHLQXXGDKBSC-UHFFFAOYSA-N 0 0 430.525 5.254 40 0 IKABRN O=C(Sc1ccc(Cl)cc1)N1CCN(C(=O)Sc2ccc(Cl)cc2)CC1 ZINC000001572511 555703677 /nfs/dbraw/zinc/70/36/77/555703677.db2.gz XWQWFIBZLCCZTR-UHFFFAOYSA-N 0 0 427.378 5.735 40 0 IKABRN C(=C(Sc1ccccc1)Sc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000001569316 555703707 /nfs/dbraw/zinc/70/37/07/555703707.db2.gz MRGBBEYTMXDJGP-AREMUKBSSA-N 0 0 442.674 8.946 40 0 IKABRN Cc1ccc(S(=O)(=O)[C@@]2(Sc3ccccc3)S[C@H]2C(=O)c2ccccc2)cc1 ZINC000001570685 555703739 /nfs/dbraw/zinc/70/37/39/555703739.db2.gz NKNCSWBBCULUOZ-VXKWHMMOSA-N 0 0 426.584 5.213 40 0 IKABRN OC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)C1(O)CCCCC1 ZINC000001581731 555704149 /nfs/dbraw/zinc/70/41/49/555704149.db2.gz GEWKQHWFVIONJR-UHFFFAOYSA-N 0 0 434.579 6.952 40 0 in-vitro IKABRN Nc1nc(-c2ccc3ccccc3c2)cc(-c2cc(-c3ccc4ccccc4c3)nc(N)n2)n1 ZINC000001588362 555704501 /nfs/dbraw/zinc/70/45/01/555704501.db2.gz MWHBOCMKBJUAIM-UHFFFAOYSA-N 0 0 440.510 5.738 40 0 in-vitro IKABRN Cc1nc(-c2ccccc2)nc2c1nc(Cc1ccc(Cl)cc1)n2Nc1ccccc1 ZINC000001611299 555705707 /nfs/dbraw/zinc/70/57/07/555705707.db2.gz VSYROJMOAOCFIW-UHFFFAOYSA-N 0 0 425.923 5.921 40 0 IKABRN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CN1[C@H](CCO)CO[C@@H]1c1ccccc1 ZINC000001608222 555705722 /nfs/dbraw/zinc/70/57/22/555705722.db2.gz KZASEJMAAFUHML-VIQVEINHSA-N 0 0 425.572 5.312 40 0 IKABRN O=C(Cc1sc(Nc2ccccc2Cl)nc1O)Nc1ccc(Cl)cc1Cl ZINC000001622673 555706344 /nfs/dbraw/zinc/70/63/44/555706344.db2.gz UXVYYFRGYBIXLW-AWEZNQCLSA-N 0 0 428.728 5.086 40 0 IKABRN O=C(Oc1c(Br)cc(-c2ccccc2)cc1Br)c1ccccc1 ZINC000001621426 555706352 /nfs/dbraw/zinc/70/63/52/555706352.db2.gz PUDIZKUOYKPASB-UHFFFAOYSA-N 0 0 432.111 6.098 40 0 IKABRN O=C(NC(=O)[C@H](Cc1ccccc1)c1ccccc1)[C@H](Cc1ccccc1)c1ccccc1 ZINC000001622463 555706420 /nfs/dbraw/zinc/70/64/20/555706420.db2.gz LZTSRBKLLPUGCI-VSGBNLITSA-N 0 0 433.551 5.682 40 0 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555707907 /nfs/dbraw/zinc/70/79/07/555707907.db2.gz AQIWIJYXWOFYBJ-UHFFFAOYSA-N 0 0 444.581 5.706 40 0 IKABRN Brc1ccc(OCCCCCCOc2ccc(Br)cc2)cc1 ZINC000001682781 555709264 /nfs/dbraw/zinc/70/92/64/555709264.db2.gz RCTHJRFRURADHF-UHFFFAOYSA-N 0 0 428.164 6.230 40 0 IKABRN C[C@]1(C(Cl)(Cl)Cl)C2c3ccccc3C(c3ccccc32)[C@]1(C)Br ZINC000001711919 555710552 /nfs/dbraw/zinc/71/05/52/555710552.db2.gz JNUYLKYUSXCNOV-FOIPXRHGSA-N 0 0 430.600 6.808 40 0 IKABRN O=C(NCCc1ccccc1)c1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000001718744 555710898 /nfs/dbraw/zinc/71/08/98/555710898.db2.gz CTVPVHHFTLBSPJ-UHFFFAOYSA-N 0 0 442.562 6.988 40 0 IKABRN COc1cc(/C=C2\c3cc(Cl)ccc3-c3c2cc(Cl)cc3Cl)cc(OC)c1OC ZINC000001723751 555710949 /nfs/dbraw/zinc/71/09/49/555710949.db2.gz ZEFZMLJHXNCGGO-OMCISZLKSA-N 0 0 447.745 7.242 40 0 IKABRN ClC12c3ccccc3C(c3ccccc31)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000001730098 555711178 /nfs/dbraw/zinc/71/11/78/555711178.db2.gz GCNRUJQUCWOJBF-UHFFFAOYSA-N 0 0 425.358 7.256 40 0 IKABRN O=C(COc1cc(Cl)c(Cl)cc1Cl)OCCOc1ccc(Cl)cc1Cl ZINC000001747406 555712144 /nfs/dbraw/zinc/71/21/44/555712144.db2.gz JEXBGSFLGFVCCW-UHFFFAOYSA-N 0 0 444.525 5.955 40 0 IKABRN O=C(NCCCOc1ccc(Cl)c(Cl)c1)NCCc1ccc(Cl)c(Cl)c1 ZINC000001749728 555712419 /nfs/dbraw/zinc/71/24/19/555712419.db2.gz AKRGZRXSIZIHKB-UHFFFAOYSA-N 0 0 436.166 5.611 40 0 IKABRN COc1ccc(OC)c(NC(=O)Sc2c(Cl)c(Cl)nc(Cl)c2Cl)c1 ZINC000001764023 555712706 /nfs/dbraw/zinc/71/27/06/555712706.db2.gz CXQVAAFHUNDSLJ-UHFFFAOYSA-N 0 0 428.124 6.037 40 0 IKABRN COc1cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(O)c-2c(=O)c1C=CC(C)C ZINC000001763468 555712737 /nfs/dbraw/zinc/71/27/37/555712737.db2.gz KRGDFVQWQJIMEK-RMKNXTFCSA-N 0 0 436.504 5.763 40 0 endogenous,in-man IKABRN Cc1ccc(SC2=C(Nc3ccc(F)cc3)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000001806248 555717599 /nfs/dbraw/zinc/71/75/99/555717599.db2.gz PTKVIDSOZFOVKH-UHFFFAOYSA-N 0 0 432.520 5.740 40 0 IKABRN CCc1cc(I)ccc1NC(=O)c1sc2ccccc2c1Cl ZINC000001838605 555719649 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0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(C)cc4)c3)nc2c1 ZINC000001861053 555721184 /nfs/dbraw/zinc/72/11/84/555721184.db2.gz ITIHSIPKAXEYGT-QGZVFWFLSA-N 0 0 448.950 6.988 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)c(C)c1 ZINC000001864892 555721536 /nfs/dbraw/zinc/72/15/36/555721536.db2.gz HBDULSIDJXEYKO-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4cccc(C)c4)c3)nc2c1 ZINC000001862234 555721553 /nfs/dbraw/zinc/72/15/53/555721553.db2.gz SQYPNYCVWWZBGO-KRWDZBQOSA-N 0 0 448.950 6.988 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)c(C)c1 ZINC000001862471 555721636 /nfs/dbraw/zinc/72/16/36/555721636.db2.gz CSJSKPZCGBXWSV-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN O=C(Nc1ccccc1Cl)c1ccccc1CC(O)(c1ccccc1)c1ccccc1 ZINC000001872846 555721964 /nfs/dbraw/zinc/72/19/64/555721964.db2.gz KHMFUCSGTPKEQM-UHFFFAOYSA-N 0 0 427.931 6.071 40 0 IKABRN S=C1N2N=C(c3ccccc3)SC2=N[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000035077522 555722497 /nfs/dbraw/zinc/72/24/97/555722497.db2.gz NLKHQEJWHQVHTJ-LJQANCHMSA-N 0 0 434.977 5.910 40 0 IKABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000408529624 555723809 /nfs/dbraw/zinc/72/38/09/555723809.db2.gz IRDOOBYCBABBCU-AQTBWJFISA-N 0 0 447.597 5.367 40 0 IKABRN CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCOC(=O)c1ccc(C)cc1 ZINC000001912336 555724455 /nfs/dbraw/zinc/72/44/55/555724455.db2.gz CTSUJLHWYWXMTN-UHFFFAOYSA-N 0 0 447.318 5.296 40 0 IKABRN CCn1c(CNC(=O)c2ccccc2C)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000035085311 555727155 /nfs/dbraw/zinc/72/71/55/555727155.db2.gz VXJDNFCHGBMLII-UHFFFAOYSA-N 0 0 435.380 5.136 40 0 IKABRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(Br)cc1 ZINC000001986260 555727207 /nfs/dbraw/zinc/72/72/07/555727207.db2.gz IJNVAHBJNSDLCG-UHFFFAOYSA-N 0 0 430.323 5.607 40 0 IKABRN Clc1c2oc3c(c2c(Cl)c(Cl)c1Cl)c(Cl)c(Cl)c(Cl)c3Cl ZINC000002521606 555785732 /nfs/dbraw/zinc/78/57/32/555785732.db2.gz RHIROFAGUQOFLU-UHFFFAOYSA-N 0 0 443.755 8.813 40 0 in-vitro IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(OC)c4)c3)nc2c1 ZINC000002592997 555789474 /nfs/dbraw/zinc/78/94/74/555789474.db2.gz SXBHZUVIBUUBDU-HNNXBMFYSA-N 0 0 434.923 6.923 40 0 IKABRN CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000002593005 555789507 /nfs/dbraw/zinc/78/95/07/555789507.db2.gz WMXSGMRVILZEAM-XBXARRHUSA-N 0 0 446.115 5.812 40 0 IKABRN O=C(Nc1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc(F)cc1 ZINC000002683847 555798401 /nfs/dbraw/zinc/79/84/01/555798401.db2.gz UJYLROGBOCGOJA-QURFURGYSA-N 0 0 425.547 6.868 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1 ZINC000034688192 555803155 /nfs/dbraw/zinc/80/31/55/555803155.db2.gz PRSPEYOGYGQESV-MILZPUNESA-N 0 0 449.550 6.116 40 0 IKABRN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1F ZINC000002744274 555808051 /nfs/dbraw/zinc/80/80/51/555808051.db2.gz BDCKGEXWQLIENX-JAIQZWGSSA-N 0 0 442.273 6.056 40 0 IKABRN CCn1c(CNC(=O)c2ccccc2C)nnc1SCc1ccc(Cl)cc1Cl ZINC000035132568 555826634 /nfs/dbraw/zinc/82/66/34/555826634.db2.gz NNOLSYFHNKUKGO-UHFFFAOYSA-N 0 0 435.380 5.136 40 0 IKABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)C2 ZINC000002812565 555827642 /nfs/dbraw/zinc/82/76/42/555827642.db2.gz SGHSSVQTCJZYGH-VOIUYBSRSA-N 0 0 445.390 6.287 40 0 IKABRN CCOc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cc1 ZINC000003011847 555879301 /nfs/dbraw/zinc/87/93/01/555879301.db2.gz DPADNLRMRSKUJB-UYAOXDASSA-N 0 0 444.457 5.503 40 0 IKABRN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4Cl)c3N2)cc1 ZINC000003012771 555879622 /nfs/dbraw/zinc/87/96/22/555879622.db2.gz KTFLEGVYMUZVHD-ROUUACIJSA-N 0 0 434.849 5.758 40 0 IKABRN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)ccc4C)c3N2)cc1 ZINC000003012762 555879631 /nfs/dbraw/zinc/87/96/31/555879631.db2.gz HUGDTICCNXCSBI-UXHICEINSA-N 0 0 428.458 5.721 40 0 IKABRN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)c(Cl)c4)c3N2)cc1 ZINC000003012603 555879663 /nfs/dbraw/zinc/87/96/63/555879663.db2.gz WUMOCZDSOZCCRD-OALUTQOASA-N 0 0 448.876 6.066 40 0 IKABRN COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(C)cc1 ZINC000408553316 555882450 /nfs/dbraw/zinc/88/24/50/555882450.db2.gz NUQWCVBWMYRXSR-UHFFFAOYSA-N 0 0 439.511 6.627 40 0 IKABRN O=C1CS[C@@H](c2ccc(OCc3ccccc3F)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408554267 555883247 /nfs/dbraw/zinc/88/32/47/555883247.db2.gz CDVRTFJWLRMXQX-QFIPXVFZSA-N 0 0 448.346 6.490 40 0 IKABRN O=C1CS[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408554262 555883320 /nfs/dbraw/zinc/88/33/20/555883320.db2.gz CDVRTFJWLRMXQX-JOCHJYFZSA-N 0 0 448.346 6.490 40 0 IKABRN O=C1CS[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000408554399 555883322 /nfs/dbraw/zinc/88/33/22/555883322.db2.gz DSELQNSXZUNWDI-JOCHJYFZSA-N 0 0 448.346 6.490 40 0 IKABRN COc1ccccc1NC(=O)COc1ccc(CNc2ccc(C)c(Cl)c2)cc1Cl ZINC000408555593 555891592 /nfs/dbraw/zinc/89/15/92/555891592.db2.gz HIQKYLQGFDBMOZ-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN CCc1ccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147359 555892301 /nfs/dbraw/zinc/89/23/01/555892301.db2.gz LTHZLHSPUDHQIP-VWLOTQADSA-N 0 0 427.935 6.351 40 0 IKABRN CCc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147358 555892388 /nfs/dbraw/zinc/89/23/88/555892388.db2.gz LTHZLHSPUDHQIP-RUZDIDTESA-N 0 0 427.935 6.351 40 0 IKABRN O=C1CS[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1c1ccc(Cl)cc1 ZINC000408556638 555894300 /nfs/dbraw/zinc/89/43/00/555894300.db2.gz KWBPIIRWLOMCDU-QFIPXVFZSA-N 0 0 430.356 6.351 40 0 IKABRN O=C1CS[C@H](c2ccccc2OCc2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000408556795 555894486 /nfs/dbraw/zinc/89/44/86/555894486.db2.gz KNHGHPGOSJHCEK-JOCHJYFZSA-N 0 0 430.356 6.351 40 0 IKABRN O=C(COc1cccc(CNc2ccc(Br)c(Cl)c2)c1)Nc1ccccc1 ZINC000408557368 555895471 /nfs/dbraw/zinc/89/54/71/555895471.db2.gz MZGLVACSLRRBGS-UHFFFAOYSA-N 0 0 445.744 5.732 40 0 IKABRN CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1OC ZINC000408557508 555895604 /nfs/dbraw/zinc/89/56/04/555895604.db2.gz OGLJAZLJOTVZIF-UHFFFAOYSA-N 0 0 434.536 5.286 40 0 IKABRN O=C1CS[C@H](c2ccccc2OCc2cccc(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408557744 555895921 /nfs/dbraw/zinc/89/59/21/555895921.db2.gz OQFIFRMUMBCTHH-JOCHJYFZSA-N 0 0 430.356 6.351 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000035145419 555897478 /nfs/dbraw/zinc/89/74/78/555897478.db2.gz PCIWJFVRKQTIRR-UHFFFAOYSA-N 0 0 428.891 5.507 40 0 IKABRN O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000408558532 555897749 /nfs/dbraw/zinc/89/77/49/555897749.db2.gz RQGYTAZPZULNLM-UHFFFAOYSA-N 0 0 442.968 5.310 40 0 IKABRN COc1ccc(OC)c(NC(=O)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c1 ZINC000408558822 555898086 /nfs/dbraw/zinc/89/80/86/555898086.db2.gz WFNGXAPKBSJVEZ-UHFFFAOYSA-N 0 0 427.884 5.197 40 0 IKABRN COc1ccccc1NC(=O)COc1ccc(CNc2ccc(C)c(Cl)c2)cc1OC ZINC000408559212 555898609 /nfs/dbraw/zinc/89/86/09/555898609.db2.gz YCMXSCBZCUCZLY-UHFFFAOYSA-N 0 0 440.927 5.295 40 0 IKABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559285 555898968 /nfs/dbraw/zinc/89/89/68/555898968.db2.gz WJXSZTMSMIMDKD-UHFFFAOYSA-N 0 0 444.940 5.100 40 0 IKABRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cccc(Br)c1 ZINC000408560961 555902664 /nfs/dbraw/zinc/90/26/64/555902664.db2.gz GDOFSAACCMGSIZ-LNVKXUELSA-N 0 0 429.383 5.665 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(C)cc1 ZINC000408561354 555903486 /nfs/dbraw/zinc/90/34/86/555903486.db2.gz IGJDUEJJKLXEKA-GYHWCHFESA-N 0 0 443.410 6.001 40 0 IKABRN COc1ccc(/C=C(/C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c2ccccc2)cc1 ZINC000408563413 555903846 /nfs/dbraw/zinc/90/38/46/555903846.db2.gz MNGQZYZOVDXMOC-PTGBLXJZSA-N 0 0 428.532 5.403 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561923 555904773 /nfs/dbraw/zinc/90/47/73/555904773.db2.gz LQHJZBMLCWRHAM-QOCHGBHMSA-N 0 0 425.406 6.298 40 0 IKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408563012 555906735 /nfs/dbraw/zinc/90/67/35/555906735.db2.gz HNYUYRNIEKILPB-HEHNFIMWSA-N 0 0 432.951 6.048 40 0 IKABRN CC(C)Oc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000408563315 555907705 /nfs/dbraw/zinc/90/77/05/555907705.db2.gz LGNAVPZOSHZYLB-SANMLTNESA-N 0 0 446.572 5.500 40 0 IKABRN CCCOc1ccc(C=CC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000408568412 555911773 /nfs/dbraw/zinc/91/17/73/555911773.db2.gz TZMSVNFWUXUACO-MHWRWJLKSA-N 0 0 430.500 5.590 40 0 IKABRN CCCOc1ccc(C=CC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC ZINC000408568656 555911775 /nfs/dbraw/zinc/91/17/75/555911775.db2.gz VVVVJIVKRBIUMI-GZTJUZNOSA-N 0 0 444.527 5.980 40 0 IKABRN CC(C)(C)c1ccc(CSc2nnc3n2c2ccccc2c(=O)n3-c2ccccc2)cc1 ZINC000003292862 555915021 /nfs/dbraw/zinc/91/50/21/555915021.db2.gz RHRFAGMRYLTTNO-UHFFFAOYSA-N 0 0 440.572 5.623 40 0 IKABRN COc1ccccc1CNC(=S)c1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000408571944 555915373 /nfs/dbraw/zinc/91/53/73/555915373.db2.gz DLBBKVYSGXDRBE-UHFFFAOYSA-N 0 0 445.943 5.541 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408571870 555915386 /nfs/dbraw/zinc/91/53/86/555915386.db2.gz CZSLFYWUZCPWCG-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN CCc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408571973 555915651 /nfs/dbraw/zinc/91/56/51/555915651.db2.gz DQEKDFNLRIICKU-UHFFFAOYSA-N 0 0 430.400 6.600 40 0 IKABRN Fc1ccc(N2CCN(C(=S)c3cccc(OCc4ccccc4Cl)c3)CC2)cc1 ZINC000408578268 555918716 /nfs/dbraw/zinc/91/87/16/555918716.db2.gz XACBVMHTNARALN-UHFFFAOYSA-N 0 0 440.971 5.556 40 0 IKABRN COc1ccccc1CNC(=S)c1cccc(OC)c1OCc1ccccc1Cl ZINC000408578837 555918968 /nfs/dbraw/zinc/91/89/68/555918968.db2.gz ZOVKGWRUJLGNNT-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000408573259 555923380 /nfs/dbraw/zinc/92/33/80/555923380.db2.gz ACKBKWWFXVCJEZ-UHFFFAOYSA-N 0 0 426.365 5.822 40 0 IKABRN S=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408574307 555925175 /nfs/dbraw/zinc/92/51/75/555925175.db2.gz LPNNHLRNOVJNAL-UHFFFAOYSA-N 0 0 446.355 5.766 40 0 IKABRN Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3ccc(-c4ccccc4)o3)nn12 ZINC000408574465 555925257 /nfs/dbraw/zinc/92/52/57/555925257.db2.gz QZPFJNMALWAANU-WYMLVPIESA-N 0 0 427.489 5.073 40 0 IKABRN COc1ccccc1CNC(=S)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408575258 555925810 /nfs/dbraw/zinc/92/58/10/555925810.db2.gz NMCVEWPFKLVZOQ-UHFFFAOYSA-N 0 0 442.378 5.502 40 0 IKABRN CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccccc2Cl)CC1 ZINC000408576676 555926987 /nfs/dbraw/zinc/92/69/87/555926987.db2.gz QIOYOUCGLYHSPQ-UHFFFAOYSA-N 0 0 438.818 6.089 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000408577655 555928544 /nfs/dbraw/zinc/92/85/44/555928544.db2.gz UDJAKDWYFGASJM-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC000408578179 555929475 /nfs/dbraw/zinc/92/94/75/555929475.db2.gz WLUCMGSHWZQQMF-UHFFFAOYSA-N 0 0 429.944 5.922 40 0 IKABRN S=C(NCc1ccccc1Cl)c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408578137 555929509 /nfs/dbraw/zinc/92/95/09/555929509.db2.gz VYLIFUBFYHNQFD-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN COc1cc(C(=S)NCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408578208 555929622 /nfs/dbraw/zinc/92/96/22/555929622.db2.gz WUBUCUKLMIPWHK-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000408580540 555932918 /nfs/dbraw/zinc/93/29/18/555932918.db2.gz CFDMVVREUREHNO-UHFFFAOYSA-N 0 0 433.455 5.210 40 0 IKABRN CCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000408589083 555943948 /nfs/dbraw/zinc/94/39/48/555943948.db2.gz YKIAGMDEAJMJFS-UHFFFAOYSA-N 0 0 439.305 5.555 40 0 IKABRN Cc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccc(C(C)(C)C)cc4)OC3=O)cc2)cc1 ZINC000003671220 555945782 /nfs/dbraw/zinc/94/57/82/555945782.db2.gz JJSCNOOZMWTWQB-JJIBRWJFSA-N 0 0 439.511 5.856 40 0 IKABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)o1 ZINC000035167580 555946301 /nfs/dbraw/zinc/94/63/01/555946301.db2.gz MXLRCYVQCUKUJD-DEDYPNTBSA-N 0 0 435.457 5.095 40 0 IKABRN COc1c(Br)cc(C(=O)Nc2cc(C)ccc2C)cc1OCc1ccccc1 ZINC000035167705 555946319 /nfs/dbraw/zinc/94/63/19/555946319.db2.gz NELPDCWKRILONM-UHFFFAOYSA-N 0 0 440.337 5.906 40 0 IKABRN O=C(Nc1ccccc1CCCCc1ccccc1NC(=O)c1ccccc1)c1ccccc1 ZINC000003845165 555947956 /nfs/dbraw/zinc/94/79/56/555947956.db2.gz VHMIFBSSXULLCU-UHFFFAOYSA-N 0 0 448.566 6.757 40 0 IKABRN COC(=O)C(=O)NC1=C(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1 ZINC000003844509 555948067 /nfs/dbraw/zinc/94/80/67/555948067.db2.gz KXZLDFMLOAGWFP-UHFFFAOYSA-N 0 0 445.518 5.083 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CC[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000003846380 555948398 /nfs/dbraw/zinc/94/83/98/555948398.db2.gz VPVSCDLLMXELSN-UETVRCAQSA-N 0 0 446.672 6.721 40 0 IKABRN O=C(c1noc(-c2ccc3ccccc3c2)c1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000003848853 555948671 /nfs/dbraw/zinc/94/86/71/555948671.db2.gz DJXFZOVYFHMVAV-UHFFFAOYSA-N 0 0 439.492 5.559 40 0 IKABRN CCOC(=O)C1=C(C)OC(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1 ZINC000003849121 555948713 /nfs/dbraw/zinc/94/87/13/555948713.db2.gz IHRSDABHEYOXDG-SFHVURJKSA-N 0 0 426.925 5.228 40 0 IKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@@H]4[C@H](C)OC(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000003851326 555948951 /nfs/dbraw/zinc/94/89/51/555948951.db2.gz WKGUHYADFSJSGL-MAHKQDMRSA-N 0 0 426.685 7.880 40 0 IKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)OC(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000003851320 555949021 /nfs/dbraw/zinc/94/90/21/555949021.db2.gz WKGUHYADFSJSGL-UOCOYFFGSA-N 0 0 426.685 7.880 40 0 IKABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N3)C2 ZINC000004124990 555965820 /nfs/dbraw/zinc/96/58/20/555965820.db2.gz WLNPPJZIDCKHHE-COESMTMPSA-N 0 0 436.478 5.177 40 0 IKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 ZINC000004193595 555975011 /nfs/dbraw/zinc/97/50/11/555975011.db2.gz HUQRNDUHICMJEI-UTGKDZDOSA-N 0 0 430.529 5.220 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2ccc(F)c(Cl)c2)c1 ZINC000408613077 555977981 /nfs/dbraw/zinc/97/79/81/555977981.db2.gz XHJWRDWNKGABRF-UHFFFAOYSA-N 0 0 433.310 6.071 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000408610334 555980768 /nfs/dbraw/zinc/98/07/68/555980768.db2.gz SYTBCTIWNDCVEC-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1ccc(OP2(Oc3ccc(C)cc3)=NC(C(F)(F)F)=NC(C(F)(F)F)=N2)cc1 ZINC000004285528 555982774 /nfs/dbraw/zinc/98/27/74/555982774.db2.gz MUARUBZXJUSACG-UHFFFAOYSA-N 0 0 449.291 6.643 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000408616688 555987580 /nfs/dbraw/zinc/98/75/80/555987580.db2.gz HLLKNQWCJXOMJB-UHFFFAOYSA-N 0 0 448.544 5.403 40 0 IKABRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000408620393 555989602 /nfs/dbraw/zinc/98/96/02/555989602.db2.gz IOAXOXSRBSARRE-YRSZXAOTSA-N 0 0 434.322 5.564 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc(Cl)c1OC ZINC000408623267 555991999 /nfs/dbraw/zinc/99/19/99/555991999.db2.gz RYABFIMFOOIRBM-UHFFFAOYSA-N 0 0 427.884 5.801 40 0 IKABRN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000004428298 555994588 /nfs/dbraw/zinc/99/45/88/555994588.db2.gz YXHQCPFGXOFHLR-CSBHBGLHSA-N 0 0 442.558 7.122 40 0 IKABRN C[C@H]1[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@]2(C)CC[C@@H]1C ZINC000004429039 555994598 /nfs/dbraw/zinc/99/45/98/555994598.db2.gz FSLPMRQHCOLESF-KVSOSNODSA-N 0 0 426.729 8.025 40 0 IKABRN C[C@@H]1CC[C@@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C ZINC000004429038 555994607 /nfs/dbraw/zinc/99/46/07/555994607.db2.gz FSLPMRQHCOLESF-IINMLKESSA-N 0 0 426.729 8.025 40 0 IKABRN CCCCCCOP(=O)(OCCCCCC)[C@@H](CCCCCC)C(=O)OCCCC ZINC000004429439 555994623 /nfs/dbraw/zinc/99/46/23/555994623.db2.gz RGERMSDJBXYYKJ-QHCPKHFHSA-N 0 0 448.625 8.056 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000408619694 555994912 /nfs/dbraw/zinc/99/49/12/555994912.db2.gz INSICHPCSVOAFM-UHFFFAOYSA-N 0 0 448.466 5.375 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccccc1 ZINC000408626145 555996986 /nfs/dbraw/zinc/99/69/86/555996986.db2.gz ZJRZVIVXZVRWKT-UHFFFAOYSA-N 0 0 440.337 5.988 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccc(C)c(C)c2)cc1 ZINC000408627361 555998146 /nfs/dbraw/zinc/99/81/46/555998146.db2.gz ZOKJTBPSMIVHLH-UHFFFAOYSA-N 0 0 442.625 5.036 40 0 IKABRN Cc1ccc(Cl)cc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1 ZINC000408627433 555998348 /nfs/dbraw/zinc/99/83/48/555998348.db2.gz MJAWUSHGKOHTKR-UHFFFAOYSA-N 0 0 449.016 5.073 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccccc1 ZINC000408630081 556000857 /nfs/dbraw/zinc/00/08/57/556000857.db2.gz NHVRRQJEYADPEL-GOSISDBHSA-N 0 0 434.495 6.329 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2cc(C)ccc2C)cc1 ZINC000408630215 556001136 /nfs/dbraw/zinc/00/11/36/556001136.db2.gz POMNKWKNOGUEMZ-UHFFFAOYSA-N 0 0 442.625 5.036 40 0 IKABRN CCC(C)(C)SCC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]12 ZINC000004804318 556012548 /nfs/dbraw/zinc/01/25/48/556012548.db2.gz OGDFLFXEEQMLTP-HSWFVFMJSA-N 0 0 432.714 7.587 40 0 IKABRN CCOC(=O)N1[C@@H](c2ccccc2)N(c2ccccc2)[C@H](c2ccccc2)N1C(=O)OCC ZINC000004822493 556013439 /nfs/dbraw/zinc/01/34/39/556013439.db2.gz DSGORSPFIDYVHA-ZEQRLZLVSA-N 0 0 445.519 5.736 40 0 IKABRN C[C@@H]1[C@H](O)CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004831515 556014036 /nfs/dbraw/zinc/01/40/36/556014036.db2.gz XCDQFROEGGNAER-RXLLMVQZSA-N 0 0 428.745 8.249 40 0 IKABRN Cc1ccc(-c2noc(SCC(=O)N3c4ccccc4Sc4ccccc43)n2)cc1 ZINC000408637712 556015307 /nfs/dbraw/zinc/01/53/07/556015307.db2.gz NORKTEUVLIASMO-UHFFFAOYSA-N 0 0 431.542 5.967 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)c1C ZINC000408638153 556015467 /nfs/dbraw/zinc/01/54/67/556015467.db2.gz BMGOZUKROJWTAV-GOSISDBHSA-N 0 0 434.923 5.741 40 0 IKABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cc(C)ccc4C(C)C)cc3)CC2=O)c1 ZINC000408638077 556015474 /nfs/dbraw/zinc/01/54/74/556015474.db2.gz BBLABOKRCXASLY-NRFANRHFSA-N 0 0 442.559 6.211 40 0 IKABRN Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O ZINC000408638371 556015758 /nfs/dbraw/zinc/01/57/58/556015758.db2.gz CAHKDWGGEJNXAY-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 ZINC000408640002 556016644 /nfs/dbraw/zinc/01/66/44/556016644.db2.gz HCMINXSOEKYUAB-OAQYLSRUSA-N 0 0 428.532 5.704 40 0 IKABRN Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 ZINC000408640000 556016672 /nfs/dbraw/zinc/01/66/72/556016672.db2.gz HCMINXSOEKYUAB-NRFANRHFSA-N 0 0 428.532 5.704 40 0 IKABRN Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1 ZINC000408641095 556017327 /nfs/dbraw/zinc/01/73/27/556017327.db2.gz JRDUMGVOYRVAJO-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O ZINC000408641492 556017684 /nfs/dbraw/zinc/01/76/84/556017684.db2.gz LZZWTRHTSLUXPR-GOSISDBHSA-N 0 0 443.385 5.182 40 0 IKABRN CCCCCC[C@H](CCCCCCCCCCC(=O)OC[C@@H](C)CCC)OC(=O)CC ZINC000004897244 556018276 /nfs/dbraw/zinc/01/82/76/556018276.db2.gz DHZVTDROULFHNL-LOSJGSFVSA-N 0 0 440.709 8.159 40 0 IKABRN CCCCCC[C@@H](CCCCCCCCCCC(=O)OC[C@H](C)CCC)OC(=O)CC ZINC000004897245 556018602 /nfs/dbraw/zinc/01/86/02/556018602.db2.gz DHZVTDROULFHNL-RPBOFIJWSA-N 0 0 440.709 8.159 40 0 IKABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000408636634 556019577 /nfs/dbraw/zinc/01/95/77/556019577.db2.gz BKEURFSQPAQTMP-UHFFFAOYSA-N 0 0 443.834 5.148 40 0 IKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1Cl ZINC000408646155 556022130 /nfs/dbraw/zinc/02/21/30/556022130.db2.gz TVFVJVHBECGRON-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)c1 ZINC000408647776 556022547 /nfs/dbraw/zinc/02/25/47/556022547.db2.gz XKUKAJNIOBGTDS-SFHVURJKSA-N 0 0 434.923 5.741 40 0 IKABRN C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O ZINC000408647397 556022850 /nfs/dbraw/zinc/02/28/50/556022850.db2.gz VHYPXSLUHZAMQR-IEBWSBKVSA-N 0 0 434.923 5.681 40 0 IKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000408643294 556023957 /nfs/dbraw/zinc/02/39/57/556023957.db2.gz ABGFLNKRHUHATM-UHFFFAOYSA-N 0 0 430.891 5.659 40 0 IKABRN [NH3+][C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000004963602 556023963 /nfs/dbraw/zinc/02/39/63/556023963.db2.gz VUGRSCSBFOUEBX-AREMUKBSSA-N 0 0 439.580 5.791 40 0 IKABRN CC1(C)[C@@H]2CC[C@H]3[C@@]1(CC[C@@H]1[C@@]3(C)CC[C@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]13C)O2 ZINC000004972896 556024817 /nfs/dbraw/zinc/02/48/17/556024817.db2.gz JVGFZGDTAYCUDA-PPKVTDPDSA-N 0 0 426.729 8.409 40 0 IKABRN CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(Cc2ccccc2Cl)CC[C@@]1(C)O ZINC000514289655 556025369 /nfs/dbraw/zinc/02/53/69/556025369.db2.gz ARMKRNAUZZHOFM-QNWVGRARSA-N 0 0 435.033 5.021 40 0 biogenic,in-vitro IKABRN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000004994635 556026153 /nfs/dbraw/zinc/02/61/53/556026153.db2.gz OCUUJCYZEABEMN-STZQEDGTSA-N 0 0 438.634 5.507 40 0 IKABRN C[C@@H]1C(=O)[C@@H](O)C[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000005004601 556027430 /nfs/dbraw/zinc/02/74/30/556027430.db2.gz DSEKYWAQQVUQTP-HXBUJRIMSA-N 0 0 442.728 7.428 40 0 IKABRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O ZINC000408647802 556028359 /nfs/dbraw/zinc/02/83/59/556028359.db2.gz XMRBPSWOWFTLDL-IBGZPJMESA-N 0 0 430.504 5.178 40 0 IKABRN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1 ZINC000408648421 556028849 /nfs/dbraw/zinc/02/88/49/556028849.db2.gz WKBUPHJCWCZRAN-INIZCTEOSA-N 0 0 436.895 5.133 40 0 IKABRN Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1Br ZINC000408648671 556029620 /nfs/dbraw/zinc/02/96/20/556029620.db2.gz XYJZXBCLAULTME-UHFFFAOYSA-N 0 0 431.113 5.168 40 0 IKABRN COc1ccc([C@H]2SC(=S)N(c3ccc(Cl)cc3)N2c2ccc(Cl)cc2)cc1 ZINC000005048774 556030006 /nfs/dbraw/zinc/03/00/06/556030006.db2.gz XCLDEEZHMHGTLE-HXUWFJFHSA-N 0 0 447.412 6.961 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)[C@@H]2O ZINC000118916059 556035812 /nfs/dbraw/zinc/03/58/12/556035812.db2.gz WHQRSVDLJNJCEK-JOSRMBTOSA-N 0 0 449.462 6.751 40 0 IKABRN CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000005231409 556038719 /nfs/dbraw/zinc/03/87/19/556038719.db2.gz JFSHUTJDVKUMTJ-SGVHOMSISA-N 0 0 426.729 8.169 40 0 IKABRN Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408659225 556044176 /nfs/dbraw/zinc/04/41/76/556044176.db2.gz OWSIPKOUQNSWCL-PJYWLYPCSA-N 0 0 448.349 5.401 40 0 IKABRN O=C1C[C@H]2CCCC[C@@H]2C[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000005385368 556049505 /nfs/dbraw/zinc/04/95/05/556049505.db2.gz PDNQXLXVLOVBBG-SLQPCKNISA-N 0 0 440.583 7.098 40 0 IKABRN FC(F)(F)c1cc(-c2ccc([C@H]3Nc4ccccc4-n4cccc43)o2)cc(C(F)(F)F)c1 ZINC000005390428 556049576 /nfs/dbraw/zinc/04/95/76/556049576.db2.gz SANVNBGAFPDHMG-NRFANRHFSA-N 0 0 448.366 7.290 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 ZINC000408667882 556056892 /nfs/dbraw/zinc/05/68/92/556056892.db2.gz QMYQHELLZCTZSC-SFHVURJKSA-N 0 0 433.935 5.624 40 0 IKABRN CCCOc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 ZINC000035264238 556056913 /nfs/dbraw/zinc/05/69/13/556056913.db2.gz AJJLVRCLKMANJM-UHFFFAOYSA-N 0 0 434.879 5.182 40 0 IKABRN O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035264340 556058691 /nfs/dbraw/zinc/05/86/91/556058691.db2.gz JKHFJXOCAWUDGW-UHFFFAOYSA-N 0 0 430.891 5.763 40 0 IKABRN CCCCCC(=O)[C@H]1[C@@H](c2ccc(C)cc2)CC(=O)[C@H](CCCC)[C@@H]1c1ccc(C)cc1 ZINC000005707148 556063594 /nfs/dbraw/zinc/06/35/94/556063594.db2.gz WRFIWFQYNGCGCJ-FKPPXMAGSA-N 0 0 432.648 7.716 40 0 IKABRN COC(=O)c1c2c(cc3c1CCCC3)C[C@@]1(Cc3cc4c(c(C(C)=O)c3C1)CCCC4)C2 ZINC000005713034 556063868 /nfs/dbraw/zinc/06/38/68/556063868.db2.gz VVJDYOLCEIQYJL-GDLZYMKVSA-N 0 0 428.572 5.317 40 0 IKABRN COc1ccc(N[C@H]2Oc3cc4c(cc3[C@H](c3cccc(OC)c3OC)[C@H]2C)OCO4)cc1 ZINC000005741759 556064460 /nfs/dbraw/zinc/06/44/60/556064460.db2.gz TVACMCACOWTLJP-LBWWVAKVSA-N 0 0 449.503 5.040 40 0 IKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000408674618 556065720 /nfs/dbraw/zinc/06/57/20/556065720.db2.gz AQSRTCBGVMCOGH-UHFFFAOYSA-N 0 0 436.870 5.619 40 0 IKABRN Clc1ccc(SCCCCCCCCCCSc2ccc(Cl)cc2)cc1 ZINC000005811733 556066994 /nfs/dbraw/zinc/06/69/94/556066994.db2.gz JFIVMFNVXWUYGJ-UHFFFAOYSA-N 0 0 427.506 8.999 40 0 IKABRN c1ccc(OCCSCCCCCCCCCCSCCOc2ccccc2)cc1 ZINC000005811737 556067019 /nfs/dbraw/zinc/06/70/19/556067019.db2.gz CXNICWKWNSZIDO-UHFFFAOYSA-N 0 0 446.722 7.732 40 0 IKABRN COc1ccc2c3c(n(Cc4ccccc4)c(=O)c2c1)-c1cc(OC)c(OC)cc1[C@@H]3C ZINC000005836342 556067343 /nfs/dbraw/zinc/06/73/43/556067343.db2.gz JDSKXNOKMRKBKV-INIZCTEOSA-N 0 0 427.500 5.208 40 0 IKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000408675788 556068251 /nfs/dbraw/zinc/06/82/51/556068251.db2.gz KMJABSALUCUBHN-UHFFFAOYSA-N 0 0 436.555 5.579 40 0 IKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000408675969 556068812 /nfs/dbraw/zinc/06/88/12/556068812.db2.gz MHVZOQCKJGWGTF-UHFFFAOYSA-N 0 0 444.534 6.003 40 0 IKABRN Cc1cc(Cl)ccc1Nc1nc(O)c(CC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000005892183 556068950 /nfs/dbraw/zinc/06/89/50/556068950.db2.gz VKYDQDGPOZKLFN-HNNXBMFYSA-N 0 0 442.755 5.394 40 0 IKABRN FC(F)(F)c1ccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005940257 556069818 /nfs/dbraw/zinc/06/98/18/556069818.db2.gz LGQMKKMMRJOBOG-YMHSLHOESA-N 0 0 426.482 6.367 40 0 IKABRN O=C(c1cccc(Cl)c1)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000408677768 556071730 /nfs/dbraw/zinc/07/17/30/556071730.db2.gz FCTZJQKOXOVHTM-MHZLTWQESA-N 0 0 436.942 7.253 40 0 IKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Br)cc1 ZINC000408677858 556072157 /nfs/dbraw/zinc/07/21/57/556072157.db2.gz RYUQQJMOBFERPD-UHFFFAOYSA-N 0 0 433.305 5.499 40 0 IKABRN Cc1cccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccc(Cl)cc2)c1 ZINC000035331304 556079314 /nfs/dbraw/zinc/07/93/14/556079314.db2.gz HDDWPXFTKABTHB-UHFFFAOYSA-N 0 0 441.987 7.342 40 0 IKABRN Cc1ccc(C(=O)NCCCCCCCCCCCCNC(=O)c2ccc(C)cc2)cc1 ZINC000006204302 556080623 /nfs/dbraw/zinc/08/06/23/556080623.db2.gz XYLHXTHVOFSMFO-UHFFFAOYSA-N 0 0 436.640 6.364 40 0 IKABRN Cc1[nH]c2ccccc2c1[C@H](c1cccs1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000006232805 556081353 /nfs/dbraw/zinc/08/13/53/556081353.db2.gz MWIGFJZTMJHYKP-VWLOTQADSA-N 0 0 431.645 8.019 40 0 IKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2S[C@@H](C)C(=O)Nc2ccccc2C)cc1 ZINC000006280263 556083507 /nfs/dbraw/zinc/08/35/07/556083507.db2.gz GWWIPPDTJASOSZ-FQEVSTJZSA-N 0 0 442.588 5.594 40 0 IKABRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408684755 556084554 /nfs/dbraw/zinc/08/45/54/556084554.db2.gz NYRIYIPBDSTILJ-QFIPXVFZSA-N 0 0 433.356 6.090 40 0 IKABRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cc(Cl)ccc4Cl)c3)C(=O)[C@@H]2C1 ZINC000408685160 556084813 /nfs/dbraw/zinc/08/48/13/556084813.db2.gz QFWJQNJXIYSRGS-DLBZAZTESA-N 0 0 429.303 5.091 40 0 IKABRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 ZINC000408685342 556084843 /nfs/dbraw/zinc/08/48/43/556084843.db2.gz PCTGWNUMWBIOFG-JOCHJYFZSA-N 0 0 443.362 5.546 40 0 IKABRN Cc1ccc(C)n1N(CC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1Cl ZINC000408686293 556087585 /nfs/dbraw/zinc/08/75/85/556087585.db2.gz RJDGXYRFCSABCD-UHFFFAOYSA-N 0 0 445.744 5.182 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000035374976 556088504 /nfs/dbraw/zinc/08/85/04/556088504.db2.gz UTOFCBLBWKPJBK-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN O=S(=O)(c1ccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1)C(F)F ZINC000006474047 556090312 /nfs/dbraw/zinc/09/03/12/556090312.db2.gz XVJKRSSNIUDZKT-UHFFFAOYSA-N 0 0 445.878 5.690 40 0 IKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccccc2)cc1 ZINC000408694968 556097246 /nfs/dbraw/zinc/09/72/46/556097246.db2.gz MZPAHOJRSWWSNS-UHFFFAOYSA-N 0 0 433.309 5.258 40 0 IKABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(Cl)c3C)n2)cc1 ZINC000408695071 556097248 /nfs/dbraw/zinc/09/72/48/556097248.db2.gz ONSXACJFCFEVMN-UHFFFAOYSA-N 0 0 446.938 5.856 40 0 IKABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000408695378 556097837 /nfs/dbraw/zinc/09/78/37/556097837.db2.gz QGJBURKHSCHISD-UHFFFAOYSA-N 0 0 446.938 5.856 40 0 IKABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000035418873 556100082 /nfs/dbraw/zinc/10/00/82/556100082.db2.gz BRBNMUZYQNKAKN-LICLKQGHSA-N 0 0 449.359 5.792 40 0 IKABRN COc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(F)cc2)cc1 ZINC000408696870 556100737 /nfs/dbraw/zinc/10/07/37/556100737.db2.gz FLUBTVFGBVXANQ-UHFFFAOYSA-N 0 0 438.462 5.488 40 0 IKABRN CC1(C)CC(NC(=S)Nc2ccccc2)CC(C)(C)N1C(=S)Nc1ccccc1 ZINC000006708137 556101924 /nfs/dbraw/zinc/10/19/24/556101924.db2.gz KDHGMEVLGZJYBW-UHFFFAOYSA-N 0 0 426.655 5.392 40 0 IKABRN O=C(Nc1ccc2ccccc2c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 ZINC000408699399 556102012 /nfs/dbraw/zinc/10/20/12/556102012.db2.gz WQRFMMPUYPLWFB-UHFFFAOYSA-N 0 0 442.881 6.132 40 0 IKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cccc(Cl)c2C)c1 ZINC000408700022 556103176 /nfs/dbraw/zinc/10/31/76/556103176.db2.gz YLZUISODKZIJPU-UHFFFAOYSA-N 0 0 430.939 6.074 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000408703815 556108539 /nfs/dbraw/zinc/10/85/39/556108539.db2.gz YGHFMFANIOMKDX-FQEVSTJZSA-N 0 0 433.617 6.991 40 0 IKABRN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(Cl)cc1Cl ZINC000408704769 556110576 /nfs/dbraw/zinc/11/05/76/556110576.db2.gz SOOVWNLEMVMLGR-UHFFFAOYSA-N 0 0 435.332 5.074 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc(C)c1Cl ZINC000408705586 556111592 /nfs/dbraw/zinc/11/15/92/556111592.db2.gz JBILRXHZSZETDA-AWEZNQCLSA-N 0 0 430.372 5.566 40 0 IKABRN Cc1cc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)ccc1Cl ZINC000408714897 556132479 /nfs/dbraw/zinc/13/24/79/556132479.db2.gz YIPICTZBQHCDAV-UHFFFAOYSA-N 0 0 427.932 5.033 40 0 IKABRN COc1ccc(Cc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 ZINC000013454291 556150672 /nfs/dbraw/zinc/15/06/72/556150672.db2.gz WPZACWGUNPVUMW-UHFFFAOYSA-N 0 0 431.517 5.126 40 0 IKABRN CO[C@@H]1CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C ZINC000008242011 556154178 /nfs/dbraw/zinc/15/41/78/556154178.db2.gz XRJBEZUZIKBOEI-MYRUYQKMSA-N 0 0 442.772 8.903 40 0 IKABRN CO[C@H]1CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1C ZINC000008298945 556156366 /nfs/dbraw/zinc/15/63/66/556156366.db2.gz XRJBEZUZIKBOEI-BTNCHTMLSA-N 0 0 442.772 8.903 40 0 IKABRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000008592898 556189669 /nfs/dbraw/zinc/18/96/69/556189669.db2.gz IOFQNSWBKPWVEY-UHFFFAOYSA-N 0 0 436.464 5.638 40 0 IKABRN CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1ccco1 ZINC000008620010 556193278 /nfs/dbraw/zinc/19/32/78/556193278.db2.gz IKDOPLXPCPTLLC-UHFFFAOYSA-N 0 0 448.504 5.197 40 0 IKABRN Oc1ccccc1[C@H]1C=C(c2ccccc2)NC(N2CCCCC2)=C1c1nc2ccccc2[nH]1 ZINC000008651818 556196616 /nfs/dbraw/zinc/19/66/16/556196616.db2.gz XECDJUHIUDDYCD-JOCHJYFZSA-N 0 0 448.570 5.851 40 0 IKABRN Brc1cccc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 ZINC000008665359 556197677 /nfs/dbraw/zinc/19/76/77/556197677.db2.gz KIGWZRWQNFEJHP-YLGSBGTBSA-N 0 0 437.381 6.111 40 0 IKABRN Cc1nnc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)s1 ZINC000008672484 556198565 /nfs/dbraw/zinc/19/85/65/556198565.db2.gz AYVAMSONWXATIR-UHFFFAOYSA-N 0 0 441.485 5.038 40 0 IKABRN Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000008788503 556215285 /nfs/dbraw/zinc/21/52/85/556215285.db2.gz KTRBZTPNLADXEQ-UHFFFAOYSA-N 0 0 425.966 6.051 40 0 IKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1ccc(Cl)cc1 ZINC000008788502 556215288 /nfs/dbraw/zinc/21/52/88/556215288.db2.gz TUQWJMAWNXSHSV-UHFFFAOYSA-N 0 0 446.384 6.396 40 0 IKABRN Clc1ccc(-c2csc3ncnc(SCc4ccc(Br)cc4)c23)cc1 ZINC000008788504 556215325 /nfs/dbraw/zinc/21/53/25/556215325.db2.gz MGDLIKNUSPVDIC-UHFFFAOYSA-N 0 0 447.810 7.067 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O ZINC000008821675 556223351 /nfs/dbraw/zinc/22/33/51/556223351.db2.gz SDEPGASCZHBTJM-STZFKDTASA-N 0 0 445.968 6.154 40 0 IKABRN O=C(COC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)c1cccc2ccccc21 ZINC000008834667 556225754 /nfs/dbraw/zinc/22/57/54/556225754.db2.gz CROWSOCWLMOHLJ-UHFFFAOYSA-N 0 0 427.239 5.293 40 0 IKABRN O=C1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1c1ccc(Cl)cc1 ZINC000008871535 556229656 /nfs/dbraw/zinc/22/96/56/556229656.db2.gz KZTOJAFOSJFQBR-QGZVFWFLSA-N 0 0 436.342 5.912 40 0 IKABRN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 ZINC000008903846 556231331 /nfs/dbraw/zinc/23/13/31/556231331.db2.gz QAALAJVCLBHCPA-UHFFFAOYSA-N 0 0 432.476 5.553 40 0 IKABRN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1 ZINC000408749654 556231368 /nfs/dbraw/zinc/23/13/68/556231368.db2.gz IGRNWRGGSBSEKH-CALCHBBNSA-N 0 0 426.538 5.407 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000009027175 556241680 /nfs/dbraw/zinc/24/16/80/556241680.db2.gz DQEHDVCYRHCVJM-UHFFFAOYSA-N 0 0 428.989 5.472 40 0 IKABRN Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009027207 556241722 /nfs/dbraw/zinc/24/17/22/556241722.db2.gz NAMABJSELLQDDL-UHFFFAOYSA-N 0 0 449.407 5.817 40 0 IKABRN O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000009056712 556243028 /nfs/dbraw/zinc/24/30/28/556243028.db2.gz GGUDEZPHLGNZDS-UHFFFAOYSA-N 0 0 437.724 6.570 40 0 IKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2Cl)c1 ZINC000035840036 556248131 /nfs/dbraw/zinc/24/81/31/556248131.db2.gz LZJAARHNDNUNLR-UHFFFAOYSA-N 0 0 440.399 6.766 40 0 IKABRN CC(C)(C)c1ccc(-c2nc(SCC(=O)Nc3ccccc3Br)n[nH]2)cc1 ZINC000009199669 556257151 /nfs/dbraw/zinc/25/71/51/556257151.db2.gz QZYDLNDOSRICEM-UHFFFAOYSA-N 0 0 445.386 5.263 40 0 IKABRN Clc1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)c(Cl)c1 ZINC000009199808 556257388 /nfs/dbraw/zinc/25/73/88/556257388.db2.gz TUVOANJNQDITOV-UHFFFAOYSA-N 0 0 427.356 6.849 40 0 IKABRN Clc1ccc(CSc2nnc(-c3ccc(I)cc3)o2)cc1 ZINC000009200213 556257432 /nfs/dbraw/zinc/25/74/32/556257432.db2.gz UKDLJPFWKKWAIG-UHFFFAOYSA-N 0 0 428.682 5.287 40 0 IKABRN O=C(C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000009233534 556262414 /nfs/dbraw/zinc/26/24/14/556262414.db2.gz GVXZNXJAOXVCSF-FQEVSTJZSA-N 0 0 449.175 7.182 40 0 IKABRN O=C1S/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000009234682 556263098 /nfs/dbraw/zinc/26/30/98/556263098.db2.gz PWTHSASXXYDOPE-FZSIALSZSA-N 0 0 441.814 5.324 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000013683451 556274570 /nfs/dbraw/zinc/27/45/70/556274570.db2.gz NAJBIMPORYYWAO-UHFFFAOYSA-N 0 0 428.579 5.168 40 0 IKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013684801 556275479 /nfs/dbraw/zinc/27/54/79/556275479.db2.gz YHHKUTZDPZAOHR-QGZVFWFLSA-N 0 0 436.939 5.700 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 ZINC000013684967 556275516 /nfs/dbraw/zinc/27/55/16/556275516.db2.gz DLKUHVTULYYTMU-JOCHJYFZSA-N 0 0 448.566 6.215 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1 ZINC000013685295 556275756 /nfs/dbraw/zinc/27/57/56/556275756.db2.gz GGKLAPREKKRELW-WOJBJXKFSA-N 0 0 438.527 5.737 40 0 IKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000013685420 556275989 /nfs/dbraw/zinc/27/59/89/556275989.db2.gz PFKZRXQFLSBBLW-HXUWFJFHSA-N 0 0 438.527 5.218 40 0 IKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000013685424 556276012 /nfs/dbraw/zinc/27/60/12/556276012.db2.gz PFKZRXQFLSBBLW-FQEVSTJZSA-N 0 0 438.527 5.218 40 0 IKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000013686698 556276721 /nfs/dbraw/zinc/27/67/21/556276721.db2.gz DWIFDESQTWYUEX-UHFFFAOYSA-N 0 0 426.560 5.910 40 0 IKABRN O=C(NCCSCc1ccccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687533 556277106 /nfs/dbraw/zinc/27/71/06/556277106.db2.gz LAKYCPNFRASXLE-UHFFFAOYSA-N 0 0 446.399 6.236 40 0 IKABRN Cc1cc(I)ccc1NC(=O)c1ccccc1OCc1ccccc1 ZINC000013687211 556277112 /nfs/dbraw/zinc/27/71/12/556277112.db2.gz JIMWHOOWTUHDOM-UHFFFAOYSA-N 0 0 443.284 5.431 40 0 IKABRN O=C(Nc1ccc(Br)cc1F)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687780 556277384 /nfs/dbraw/zinc/27/73/84/556277384.db2.gz DTZOSTMRTIDGEC-UHFFFAOYSA-N 0 0 434.692 6.073 40 0 IKABRN Cc1ccccc1CSCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687660 556277442 /nfs/dbraw/zinc/27/74/42/556277442.db2.gz HLBUIPUVKHYWMQ-UHFFFAOYSA-N 0 0 425.981 5.891 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1CCc1ccccc1 ZINC000013688414 556278115 /nfs/dbraw/zinc/27/81/15/556278115.db2.gz VXDSNQQYAPAPLF-UHFFFAOYSA-N 0 0 439.942 6.609 40 0 IKABRN C[C@H](Oc1cccc2ccccc21)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000013709160 556283510 /nfs/dbraw/zinc/28/35/10/556283510.db2.gz YNSTYUCXOJJBRC-HNNXBMFYSA-N 0 0 434.388 5.964 40 0 IKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013708464 556283642 /nfs/dbraw/zinc/28/36/42/556283642.db2.gz BCHDZTFGHIXQJR-HFESIUDZSA-N 0 0 425.572 6.714 40 0 IKABRN Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000013709232 556283877 /nfs/dbraw/zinc/28/38/77/556283877.db2.gz OCJHUGLILNBOSA-CQSZACIVSA-N 0 0 431.273 5.159 40 0 IKABRN Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000013710646 556283885 /nfs/dbraw/zinc/28/38/85/556283885.db2.gz HBSMJRXZOPGYHT-HSZRJFAPSA-N 0 0 428.576 5.005 40 0 IKABRN Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000013709234 556283913 /nfs/dbraw/zinc/28/39/13/556283913.db2.gz OCJHUGLILNBOSA-AWEZNQCLSA-N 0 0 431.273 5.159 40 0 IKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013709452 556283927 /nfs/dbraw/zinc/28/39/27/556283927.db2.gz XFNGHTZSPATXCR-KRWDZBQOSA-N 0 0 429.903 6.130 40 0 IKABRN CC[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713937 556286052 /nfs/dbraw/zinc/28/60/52/556286052.db2.gz MLTCIRHDMPOMSU-QGZVFWFLSA-N 0 0 449.787 5.139 40 0 IKABRN CC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716705 556288012 /nfs/dbraw/zinc/28/80/12/556288012.db2.gz CWVUJYFBGDOCGF-DEOSSOPVSA-N 0 0 436.577 5.154 40 0 IKABRN Cc1cc(I)ccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000013717017 556288019 /nfs/dbraw/zinc/28/80/19/556288019.db2.gz VHSCVXJYTWPRKU-UHFFFAOYSA-N 0 0 441.312 5.760 40 0 IKABRN Cc1nc2oc(C(=O)c3ccccc3)c(NC(=O)c3ccco3)c2c(C)c1Br ZINC000036559023 556288785 /nfs/dbraw/zinc/28/87/85/556288785.db2.gz AYXOKFSVVKRLEZ-UHFFFAOYSA-N 0 0 439.265 5.283 40 0 IKABRN Cc1ccc([C@H](c2oc3nc(C)cc(C)c3c2NC(=O)c2ccccc2)c2ccccc2)o1 ZINC000036559019 556288811 /nfs/dbraw/zinc/28/88/11/556288811.db2.gz JNBNGPNQTJPYSN-XMMPIXPASA-N 0 0 436.511 6.779 40 0 IKABRN Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1-c1cccc(C)c1 ZINC000009817037 556309369 /nfs/dbraw/zinc/30/93/69/556309369.db2.gz RRDJLLNVLTWGNI-UHFFFAOYSA-N 0 0 440.878 5.287 40 0 IKABRN CN(c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1)S(=O)(=O)c1cccs1 ZINC000010009654 556321305 /nfs/dbraw/zinc/32/13/05/556321305.db2.gz SQZCHQGQFWWVBH-UHFFFAOYSA-N 0 0 448.569 5.493 40 0 IKABRN Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000010015767 556322782 /nfs/dbraw/zinc/32/27/82/556322782.db2.gz KZLCUGWHXIJAFR-UHFFFAOYSA-N 0 0 427.835 5.448 40 0 IKABRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000010042296 556323343 /nfs/dbraw/zinc/32/33/43/556323343.db2.gz KSRKZQMTLHXJQV-UHFFFAOYSA-N 0 0 431.316 5.408 40 0 IKABRN Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2nc(-c3ccccc3)cn12 ZINC000010069135 556324889 /nfs/dbraw/zinc/32/48/89/556324889.db2.gz ZZEGQWLBOIGTOQ-UHFFFAOYSA-N 0 0 425.513 6.416 40 0 IKABRN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c(C)c1 ZINC000010112674 556326329 /nfs/dbraw/zinc/32/63/29/556326329.db2.gz UVXRYRFOYKPRFV-UHFFFAOYSA-N 0 0 432.010 6.358 40 0 IKABRN O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000010156758 556326998 /nfs/dbraw/zinc/32/69/98/556326998.db2.gz XSEOIVVEZRTXTH-UHFFFAOYSA-N 0 0 431.706 5.161 40 0 IKABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000010324267 556330789 /nfs/dbraw/zinc/33/07/89/556330789.db2.gz JTHHGPLQBFZYLF-UHFFFAOYSA-N 0 0 449.787 5.140 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010325252 556331190 /nfs/dbraw/zinc/33/11/90/556331190.db2.gz GFVUBYZVNPEXET-UHFFFAOYSA-N 0 0 446.931 5.006 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CSc3ccc(Cl)cc3)c2)cc1 ZINC000010326662 556331557 /nfs/dbraw/zinc/33/15/57/556331557.db2.gz AFUULPDTXAUPGM-UHFFFAOYSA-N 0 0 437.992 6.599 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 ZINC000010327962 556331770 /nfs/dbraw/zinc/33/17/70/556331770.db2.gz VQJBJQGWOXFOKZ-UHFFFAOYSA-N 0 0 440.590 5.220 40 0 IKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)S(C)(=O)=O)c1 ZINC000010371242 556333398 /nfs/dbraw/zinc/33/33/98/556333398.db2.gz MGKRPKKOXQDMCO-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000010372825 556333949 /nfs/dbraw/zinc/33/39/49/556333949.db2.gz RRNMCMYZKXVIHF-UHFFFAOYSA-N 0 0 428.557 6.422 40 0 IKABRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)C2=O)cc1 ZINC000214609495 556336259 /nfs/dbraw/zinc/33/62/59/556336259.db2.gz BEUMUCRYXVSRCN-UDWIEESQSA-N 0 0 443.446 6.510 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3OCc3ccccc3Cl)C2=O)c1 ZINC000214608378 556336264 /nfs/dbraw/zinc/33/62/64/556336264.db2.gz WNNBAKDSWDNPKJ-OEAKJJBVSA-N 0 0 449.959 6.464 40 0 IKABRN Cc1ccc(C(=O)/N=c2\scc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1 ZINC000011565622 556341994 /nfs/dbraw/zinc/34/19/94/556341994.db2.gz YCDDVIMXPYBLBA-BZZOAKBMSA-N 0 0 449.373 6.018 40 0 IKABRN O=C(c1cc(-c2ccccc2)nc2ccccc21)N(Cc1ccccc1)Cc1ccccc1 ZINC000013966218 556350296 /nfs/dbraw/zinc/35/02/96/556350296.db2.gz GDWPGGWKPLZJII-UHFFFAOYSA-N 0 0 428.535 6.744 40 0 IKABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000013978052 556351109 /nfs/dbraw/zinc/35/11/09/556351109.db2.gz CWKBPZLDFKBPKF-UHFFFAOYSA-N 0 0 432.701 5.912 40 0 IKABRN COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc1Cl ZINC000014009063 556354131 /nfs/dbraw/zinc/35/41/31/556354131.db2.gz HNLJDYKAHIIFDA-UHFFFAOYSA-N 0 0 445.302 5.515 40 0 IKABRN CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000014030956 556357564 /nfs/dbraw/zinc/35/75/64/556357564.db2.gz UQDHDIAUMYDMRK-UHFFFAOYSA-N 0 0 438.549 5.145 40 0 IKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(OCc2ccccc2)cc1 ZINC000014036285 556358238 /nfs/dbraw/zinc/35/82/38/556358238.db2.gz QYVFQRYQQGBHMQ-UHFFFAOYSA-N 0 0 446.728 5.699 40 0 IKABRN O=C1c2ccccc2[C@@]2(O)[C@H]1[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000037259943 556377817 /nfs/dbraw/zinc/37/78/17/556377817.db2.gz XIHNGQBYDVKORK-NSNZNLCHSA-N 0 0 432.519 5.156 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000014428057 556416124 /nfs/dbraw/zinc/41/61/24/556416124.db2.gz HHMNIBXHEUHTIN-UHFFFAOYSA-N 0 0 434.989 5.028 40 0 IKABRN O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214821806 556429958 /nfs/dbraw/zinc/42/99/58/556429958.db2.gz NQJRANQNNZQIBL-VIZOYTHASA-N 0 0 433.143 6.537 40 0 IKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1 ZINC000014664084 556431079 /nfs/dbraw/zinc/43/10/79/556431079.db2.gz MTFRHUCHFHZAFM-UHFFFAOYSA-N 0 0 438.549 5.144 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)cc1C ZINC000014663944 556431159 /nfs/dbraw/zinc/43/11/59/556431159.db2.gz DXSNUCRNLILEBP-UHFFFAOYSA-N 0 0 438.549 5.144 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)c(C)c1 ZINC000014664027 556431177 /nfs/dbraw/zinc/43/11/77/556431177.db2.gz CWLQSRKEDGFICE-UHFFFAOYSA-N 0 0 438.549 5.144 40 0 IKABRN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1NC(=S)Nc1ccccc1 ZINC000039377210 556434605 /nfs/dbraw/zinc/43/46/05/556434605.db2.gz IEYAXCHDLGFOBG-NTCAYCPXSA-N 0 0 432.936 5.161 40 0 IKABRN CCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 ZINC000039427744 556434930 /nfs/dbraw/zinc/43/49/30/556434930.db2.gz KOOLQRGEXVQIEW-XMMPIXPASA-N 0 0 445.567 5.392 40 0 IKABRN CCCCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 ZINC000039427775 556435202 /nfs/dbraw/zinc/43/52/02/556435202.db2.gz VRNDADJNKBAIBM-DEOSSOPVSA-N 0 0 445.567 5.473 40 0 IKABRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000039768820 556437377 /nfs/dbraw/zinc/43/73/77/556437377.db2.gz VZHZMNKSMZJDEY-UHFFFAOYSA-N 0 0 434.908 5.363 40 0 IKABRN O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000039742926 556438147 /nfs/dbraw/zinc/43/81/47/556438147.db2.gz SPSOSNQVSWUIFL-UHFFFAOYSA-N 0 0 434.455 5.394 40 0 IKABRN O=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000037100511 556440235 /nfs/dbraw/zinc/44/02/35/556440235.db2.gz WQKYFNJOENXNJO-UHFFFAOYSA-N 0 0 435.980 5.292 40 0 IKABRN COc1cccc(N2CCN([C@@H](C(=O)c3c(C)[nH]c4ccccc43)c3ccccc3)CC2)c1 ZINC000037100523 556440282 /nfs/dbraw/zinc/44/02/82/556440282.db2.gz QMBVBIABUPVZDO-HHHXNRCGSA-N 0 0 439.559 5.231 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1ccccc1F)N(Cc1ccccc1F)C(=O)c1ccco1 ZINC000013025691 556440347 /nfs/dbraw/zinc/44/03/47/556440347.db2.gz MTUFMKIVAWGBJJ-QHCPKHFHSA-N 0 0 438.474 5.000 40 0 IKABRN O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1 ZINC000039759645 556442200 /nfs/dbraw/zinc/44/22/00/556442200.db2.gz WSPAHNWGFJEADO-FOCLMDBBSA-N 0 0 427.485 5.076 40 0 IKABRN COc1cccc(C(=O)CSc2nnc3n(Cc4ccc(C)cc4)c4ccccc4n23)c1 ZINC000013084155 556455951 /nfs/dbraw/zinc/45/59/51/556455951.db2.gz NGEZHBXTNMZFRX-UHFFFAOYSA-N 0 0 442.544 5.024 40 0 IKABRN O=C(Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2)c1cccc(Cl)c1 ZINC000014944056 556459481 /nfs/dbraw/zinc/45/94/81/556459481.db2.gz UQOSHPUSBXOLOT-UHFFFAOYSA-N 0 0 428.271 5.248 40 0 IKABRN Fc1ccccc1COc1nc2ccccc2nc1/C=C/c1ccc(Cl)cc1Cl ZINC000014944052 556459508 /nfs/dbraw/zinc/45/95/08/556459508.db2.gz AYPJWJLDINPTMW-ZRDIBKRKSA-N 0 0 425.290 6.825 40 0 IKABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 ZINC000015011042 556483228 /nfs/dbraw/zinc/48/32/28/556483228.db2.gz MDJQYCPXXIVYOL-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN COc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000015012218 556483802 /nfs/dbraw/zinc/48/38/02/556483802.db2.gz PKFPJGIGHNEYQD-MTJSOVHGSA-N 0 0 448.906 5.333 40 0 IKABRN CCCSc1nnc2c(n1)O[C@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 ZINC000015015996 556485074 /nfs/dbraw/zinc/48/50/74/556485074.db2.gz GCSZUQRDLRMQIM-JOCHJYFZSA-N 0 0 434.565 5.865 40 0 IKABRN COc1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(C)cc4)nc3O2)c1 ZINC000015015851 556485081 /nfs/dbraw/zinc/48/50/81/556485081.db2.gz LQEOOURUNUGAQG-QHCPKHFHSA-N 0 0 442.544 5.651 40 0 IKABRN Oc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1 ZINC000015016015 556485543 /nfs/dbraw/zinc/48/55/43/556485543.db2.gz VLVJTLVVOXDJLQ-OAQYLSRUSA-N 0 0 448.935 5.693 40 0 IKABRN O=C1Nc2c(cc(Br)cc2Br)/C1=C/c1c(F)cccc1Cl ZINC000015016387 556485817 /nfs/dbraw/zinc/48/58/17/556485817.db2.gz YNGPBXCYZQXPAL-TWGQIWQCSA-N 0 0 431.486 5.497 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000408902349 556489308 /nfs/dbraw/zinc/48/93/08/556489308.db2.gz NDCVXJYQAPPEIX-NFECSFHCSA-N 0 0 431.941 6.157 40 0 IKABRN O=C(COc1ccccc1/C=C1/SC(=O)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000408902783 556490188 /nfs/dbraw/zinc/49/01/88/556490188.db2.gz RHZVLCQTBGXYJH-KGENOOAVSA-N 0 0 448.475 5.084 40 0 IKABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)sc2c1CCCC2 ZINC000030752398 556503540 /nfs/dbraw/zinc/50/35/40/556503540.db2.gz DXEMWYJMHGKKCH-HXUWFJFHSA-N 0 0 437.561 5.753 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000030755991 556504807 /nfs/dbraw/zinc/50/48/07/556504807.db2.gz VETDZAIYOGCCOR-UHFFFAOYSA-N 0 0 449.359 5.388 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccccc1 ZINC000030756412 556504836 /nfs/dbraw/zinc/50/48/36/556504836.db2.gz OZYJRZAPMZCXQM-JOCHJYFZSA-N 0 0 436.577 5.294 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC1=C2OC(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000013408846 556504873 /nfs/dbraw/zinc/50/48/73/556504873.db2.gz SSHZMKOIMDTLHW-CDLBSUQRSA-N 0 0 446.631 6.541 40 0 IKABRN C[C@@H]1CC[C@](C)(COC(=O)c2ccccc2C(=O)OC[C@@]2(C)CC[C@H](C)C2(C)C)C1(C)C ZINC000013405264 556504937 /nfs/dbraw/zinc/50/49/37/556504937.db2.gz NKAAAQIOGVGJLI-XNGOEPGBSA-N 0 0 442.640 6.925 40 0 IKABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccccc1 ZINC000030756415 556504940 /nfs/dbraw/zinc/50/49/40/556504940.db2.gz OZYJRZAPMZCXQM-QFIPXVFZSA-N 0 0 436.577 5.294 40 0 IKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030758327 556505150 /nfs/dbraw/zinc/50/51/50/556505150.db2.gz FHJIPSGQFBPYJF-RUZDIDTESA-N 0 0 445.559 6.020 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC1=C2OC(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000013408849 556505100 /nfs/dbraw/zinc/50/51/00/556505100.db2.gz SSHZMKOIMDTLHW-VFRYSNAESA-N 0 0 446.631 6.541 40 0 IKABRN CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1 ZINC000408919330 556505461 /nfs/dbraw/zinc/50/54/61/556505461.db2.gz WNABOGRRIFDPPN-AYIBLLACSA-N 0 0 443.930 5.223 40 0 IKABRN COC(=O)Nc1nc2cc(Oc3ccc4ccccc4c3Br)c(Cl)cc2[nH]1 ZINC000015134133 556505786 /nfs/dbraw/zinc/50/57/86/556505786.db2.gz KNMDGUFENDUNPW-UHFFFAOYSA-N 0 0 446.688 6.103 40 0 IKABRN Cc1cc(OCc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)o2)c(C(C)C)cc1Cl ZINC000036611121 556506936 /nfs/dbraw/zinc/50/69/36/556506936.db2.gz LAOGNQFFOIGRIZ-UHFFFAOYSA-N 0 0 441.999 6.642 40 0 IKABRN Fc1cccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)c1 ZINC000036611269 556507134 /nfs/dbraw/zinc/50/71/34/556507134.db2.gz NWXIBIIFCLCYHZ-UHFFFAOYSA-N 0 0 446.375 6.548 40 0 IKABRN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1cc(-c2ccccc2)no1 ZINC000036613621 556507875 /nfs/dbraw/zinc/50/78/75/556507875.db2.gz UKDHEWMQWSCYLU-UHFFFAOYSA-N 0 0 437.503 5.642 40 0 IKABRN CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000030848164 556507895 /nfs/dbraw/zinc/50/78/95/556507895.db2.gz LMCUOOITBUPRAJ-UHFFFAOYSA-N 0 0 446.981 5.423 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000030850042 556508411 /nfs/dbraw/zinc/50/84/11/556508411.db2.gz ULXBCVUWPGARDN-AREMUKBSSA-N 0 0 449.616 6.384 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3c(C)cc(C)cc3C)c2)cc1 ZINC000030850052 556508462 /nfs/dbraw/zinc/50/84/62/556508462.db2.gz WZKMUEYXKPMFCR-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000030851685 556509022 /nfs/dbraw/zinc/50/90/22/556509022.db2.gz DMSLWMBINMCDAS-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1cccc(CSCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 ZINC000030853442 556509410 /nfs/dbraw/zinc/50/94/10/556509410.db2.gz XJCBXZHQXGYAOU-UHFFFAOYSA-N 0 0 430.617 5.611 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1Cl ZINC000030854099 556509564 /nfs/dbraw/zinc/50/95/64/556509564.db2.gz FEKHOBULVJXWNR-UHFFFAOYSA-N 0 0 439.964 6.370 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)cc2)cc1 ZINC000030853578 556509671 /nfs/dbraw/zinc/50/96/71/556509671.db2.gz UFPNRIGVKBDZMD-MUUNZHRXSA-N 0 0 437.608 7.115 40 0 IKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000030854941 556509701 /nfs/dbraw/zinc/50/97/01/556509701.db2.gz YBTOYLZEWMVVLY-NRFANRHFSA-N 0 0 448.415 6.354 40 0 IKABRN COc1ccc(S[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000030855106 556509746 /nfs/dbraw/zinc/50/97/46/556509746.db2.gz SOWVHXJBTODQSB-NRFANRHFSA-N 0 0 446.616 5.110 40 0 IKABRN COc1cc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc(OC)c1OC ZINC000030855013 556509838 /nfs/dbraw/zinc/50/98/38/556509838.db2.gz FVLDDARJFNCEKH-UHFFFAOYSA-N 0 0 447.531 5.493 40 0 IKABRN CCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1Br ZINC000037188469 556510617 /nfs/dbraw/zinc/51/06/17/556510617.db2.gz YFXPLRANAJPQJP-UHFFFAOYSA-N 0 0 433.571 6.184 40 0 IKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000030862814 556511634 /nfs/dbraw/zinc/51/16/34/556511634.db2.gz ZTEKGCIRBSGBDQ-VWLOTQADSA-N 0 0 430.548 5.698 40 0 IKABRN CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@]21/C=C/c1ccc(Cl)cc1 ZINC000015222433 556512162 /nfs/dbraw/zinc/51/21/62/556512162.db2.gz HAACGPUOUUCXPB-HPEPBICTSA-N 0 0 428.963 5.890 40 0 IKABRN CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000030867082 556512489 /nfs/dbraw/zinc/51/24/89/556512489.db2.gz WITXSEAWCLFSGR-UHFFFAOYSA-N 0 0 428.941 5.264 40 0 IKABRN O=C(NCCSCc1cccc(Cl)c1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030867675 556512825 /nfs/dbraw/zinc/51/28/25/556512825.db2.gz JZXCBYQRQYZNGZ-UHFFFAOYSA-N 0 0 437.008 5.566 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000030868159 556512863 /nfs/dbraw/zinc/51/28/63/556512863.db2.gz VJNXDSAEBYMOML-UHFFFAOYSA-N 0 0 442.968 5.572 40 0 IKABRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)c(Cl)c1Cl ZINC000030868443 556513125 /nfs/dbraw/zinc/51/31/25/556513125.db2.gz CNMPDLMHLXNHBP-NRFANRHFSA-N 0 0 436.360 5.378 40 0 IKABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)c(Cl)c1Cl ZINC000030868448 556513252 /nfs/dbraw/zinc/51/32/52/556513252.db2.gz CNMPDLMHLXNHBP-OAQYLSRUSA-N 0 0 436.360 5.378 40 0 IKABRN CC(C)n1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c2ccccc21 ZINC000214826263 556513528 /nfs/dbraw/zinc/51/35/28/556513528.db2.gz MBTMHACZMNTNOW-KEBDBYFISA-N 0 0 445.371 6.766 40 0 IKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000030871603 556513762 /nfs/dbraw/zinc/51/37/62/556513762.db2.gz CPYSPBVCLUGGDV-DEOSSOPVSA-N 0 0 430.548 5.072 40 0 IKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030872229 556513820 /nfs/dbraw/zinc/51/38/20/556513820.db2.gz BTAMFCCUBFRQMR-IBGZPJMESA-N 0 0 427.548 5.030 40 0 IKABRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1)CCCC2 ZINC000030873148 556514090 /nfs/dbraw/zinc/51/40/90/556514090.db2.gz RAJHEKMMDQOASB-MRXNPFEDSA-N 0 0 438.014 5.966 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030938690 556515529 /nfs/dbraw/zinc/51/55/29/556515529.db2.gz VWWGTRGOVQSHNR-LBPRGKRZSA-N 0 0 432.178 6.151 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000030938682 556515610 /nfs/dbraw/zinc/51/56/10/556515610.db2.gz PTUCAYUJKPOZKU-ZDUSSCGKSA-N 0 0 432.178 6.151 40 0 IKABRN COc1ccc([C@H]2CC(c3ccccc3)=CC3=Nc4ncnn4[C@@H](c4ccccc4)C32)cc1 ZINC000015303490 556517156 /nfs/dbraw/zinc/51/71/56/556517156.db2.gz COOSSAZYXWEGIW-SQHAQQRYSA-N 0 0 432.527 5.827 40 0 IKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030945427 556517176 /nfs/dbraw/zinc/51/71/76/556517176.db2.gz YQVCDZDUYGSSGH-GFCCVEGCSA-N 0 0 432.178 6.151 40 0 IKABRN CCOc1c(Br)cc(Br)cc1CNc1cccc(Cl)c1C ZINC000037196634 556517630 /nfs/dbraw/zinc/51/76/30/556517630.db2.gz FFPJTJJSVOFCGY-UHFFFAOYSA-N 0 0 433.571 6.184 40 0 IKABRN COc1c(Br)cc(Br)cc1CNc1ccc(Cl)c(Cl)c1 ZINC000037200354 556518616 /nfs/dbraw/zinc/51/86/16/556518616.db2.gz ZOBLCWLEXMGZFK-UHFFFAOYSA-N 0 0 439.962 6.139 40 0 IKABRN COc1c(Br)cc(CNc2ccc(Br)cc2)cc1Br ZINC000037203579 556520690 /nfs/dbraw/zinc/52/06/90/556520690.db2.gz GGKWMJQITMPQES-UHFFFAOYSA-N 0 0 449.968 5.595 40 0 IKABRN CCn1cc(-c2cc(C(F)(F)F)c3c(n2)onc3-c2ccc(Cl)c(Cl)c2)cn1 ZINC000036617455 556522286 /nfs/dbraw/zinc/52/22/86/556522286.db2.gz LTJIEHVZODRKEI-UHFFFAOYSA-N 0 0 427.213 6.099 40 0 IKABRN CCCC[NH+](CCCC)C[C@@H](C(C)=O)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841533 556526799 /nfs/dbraw/zinc/52/67/99/556526799.db2.gz SGJLLIYCHAVIGF-ZCYQVOJMSA-N 0 0 449.591 5.738 40 0 IKABRN COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408932859 556526815 /nfs/dbraw/zinc/52/68/15/556526815.db2.gz FEBAQQCDRVAYPL-BKUYFWCQSA-N 0 0 448.906 5.021 40 0 IKABRN C/C=C/c1ccc(OCCn2c3ccccc3nc2[C@H]2CCCN2C(=O)CC)c(OC)c1 ZINC000031903361 556527728 /nfs/dbraw/zinc/52/77/28/556527728.db2.gz QDGXZHLXVZKILL-LQPWBEKMSA-N 0 0 433.552 5.231 40 0 IKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000032111935 556530676 /nfs/dbraw/zinc/53/06/76/556530676.db2.gz FFGIESKRVHDDTA-GOSISDBHSA-N 0 0 442.515 6.423 40 0 IKABRN Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114486 556530860 /nfs/dbraw/zinc/53/08/60/556530860.db2.gz NFBNARSVGISPIU-UHFFFAOYSA-N 0 0 442.515 6.134 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 ZINC000032112057 556530888 /nfs/dbraw/zinc/53/08/88/556530888.db2.gz ADGNIJPAUBXPSL-UHFFFAOYSA-N 0 0 442.902 6.952 40 0 IKABRN Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114624 556531184 /nfs/dbraw/zinc/53/11/84/556531184.db2.gz OIGKJUDSTRTJPT-MDWZMJQESA-N 0 0 430.891 6.299 40 0 IKABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000032115426 556531808 /nfs/dbraw/zinc/53/18/08/556531808.db2.gz SNPVHNJLABQDON-UHFFFAOYSA-N 0 0 443.528 5.429 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)cc1Br ZINC000032115715 556531829 /nfs/dbraw/zinc/53/18/29/556531829.db2.gz NCPFKGPJZFUESY-UHFFFAOYSA-N 0 0 437.293 5.827 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)ccc3o2)cc1C ZINC000032116441 556532078 /nfs/dbraw/zinc/53/20/78/556532078.db2.gz ARCMLGOLKDKERL-UHFFFAOYSA-N 0 0 449.963 5.821 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000032116664 556532460 /nfs/dbraw/zinc/53/24/60/556532460.db2.gz GPIKLPUULQTZAH-UHFFFAOYSA-N 0 0 428.532 6.561 40 0 IKABRN Cc1sc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)nc1-c1ccccc1 ZINC000032124858 556533633 /nfs/dbraw/zinc/53/36/33/556533633.db2.gz NIANZPVJNZAJCS-UHFFFAOYSA-N 0 0 443.528 5.658 40 0 IKABRN O=C(Cn1ccc2cc(Br)ccc21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000032124643 556533658 /nfs/dbraw/zinc/53/36/58/556533658.db2.gz HOBPKAXSNLFXMW-UHFFFAOYSA-N 0 0 431.639 5.715 40 0 IKABRN CCCOC(=O)c1cc(NC(=O)Cn2ccc3cc(Br)ccc32)ccc1Cl ZINC000032124773 556533671 /nfs/dbraw/zinc/53/36/71/556533671.db2.gz WWSZLUNGWWLKTL-UHFFFAOYSA-N 0 0 449.732 5.263 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccc(C)cc2)cc1Cl ZINC000013609524 556534159 /nfs/dbraw/zinc/53/41/59/556534159.db2.gz XAUUVHILFADULA-UHFFFAOYSA-N 0 0 432.907 5.076 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)NCCSCc3ccccc3F)cc2)cc1 ZINC000013612606 556535080 /nfs/dbraw/zinc/53/50/80/556535080.db2.gz QKDBRKOUAWFFHZ-UHFFFAOYSA-N 0 0 425.594 6.090 40 0 IKABRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)oc2c1 ZINC000032126357 556535245 /nfs/dbraw/zinc/53/52/45/556535245.db2.gz IPEITPITUBFFNM-UHFFFAOYSA-N 0 0 430.247 5.605 40 0 IKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000032126427 556535452 /nfs/dbraw/zinc/53/54/52/556535452.db2.gz WSTRRIRYEWYPGG-UHFFFAOYSA-N 0 0 442.902 6.627 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 ZINC000032126402 556535471 /nfs/dbraw/zinc/53/54/71/556535471.db2.gz UYHCTAFYZBTUHP-AWEZNQCLSA-N 0 0 435.553 5.001 40 0 IKABRN O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccccc1F ZINC000032126537 556535488 /nfs/dbraw/zinc/53/54/88/556535488.db2.gz IWFVOVJDGQCWQZ-UHFFFAOYSA-N 0 0 441.487 5.914 40 0 IKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)C(c4ccccc4)c4ccccc4)c3)nn12 ZINC000032126711 556535751 /nfs/dbraw/zinc/53/57/51/556535751.db2.gz MGENNEDVDQNCFW-UHFFFAOYSA-N 0 0 439.544 5.240 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1Cl ZINC000032126860 556535793 /nfs/dbraw/zinc/53/57/93/556535793.db2.gz UVOLYKHCPGYUGM-UHFFFAOYSA-N 0 0 428.875 6.562 40 0 IKABRN COc1cc2sc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)nc2cc1Cl ZINC000032127138 556536030 /nfs/dbraw/zinc/53/60/30/556536030.db2.gz AHXCIXJQRIRPPP-UHFFFAOYSA-N 0 0 443.764 6.732 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1Cl ZINC000032127670 556536604 /nfs/dbraw/zinc/53/66/04/556536604.db2.gz KKVSKDBCYFTFIP-UHFFFAOYSA-N 0 0 448.335 5.037 40 0 IKABRN COc1ccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628265 556538031 /nfs/dbraw/zinc/53/80/31/556538031.db2.gz FRIUIQHNKVZTGY-SFHVURJKSA-N 0 0 446.547 5.651 40 0 IKABRN O=C1C[C@H](c2cccs2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 ZINC000013634420 556540102 /nfs/dbraw/zinc/54/01/02/556540102.db2.gz QDMMUPORYZGJSW-CYBMUJFWSA-N 0 0 426.954 5.044 40 0 IKABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(Cl)c(Cl)c2)C1C(=O)OCC ZINC000013634909 556540553 /nfs/dbraw/zinc/54/05/53/556540553.db2.gz UMJWCGIUTWJVPU-HXUWFJFHSA-N 0 0 430.335 5.975 40 0 IKABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)c(Cl)c2)C1C(=O)OCC ZINC000013634913 556540564 /nfs/dbraw/zinc/54/05/64/556540564.db2.gz UMJWCGIUTWJVPU-FQEVSTJZSA-N 0 0 430.335 5.975 40 0 IKABRN CCCCOc1ccc([C@@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)cc1 ZINC000013634736 556540627 /nfs/dbraw/zinc/54/06/27/556540627.db2.gz JNRGDUHTRCCVDK-XMMPIXPASA-N 0 0 433.552 5.847 40 0 IKABRN Cc1nn2c(nnc(C(=O)Nc3ccccc3C(F)(F)F)c2C)c1-c1ccc(Cl)cc1 ZINC000013635639 556540790 /nfs/dbraw/zinc/54/07/90/556540790.db2.gz WWWYAVVLHADSSS-UHFFFAOYSA-N 0 0 445.832 5.333 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)c1C ZINC000013675759 556554187 /nfs/dbraw/zinc/55/41/87/556554187.db2.gz BGYXSHICSCWPOK-SFHVURJKSA-N 0 0 434.561 5.004 40 0 IKABRN O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(CSc2ccccc2)cc1 ZINC000013678809 556555694 /nfs/dbraw/zinc/55/56/94/556555694.db2.gz DFVICTVKJRTQEB-UHFFFAOYSA-N 0 0 438.401 6.228 40 0 IKABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1C ZINC000013682053 556557457 /nfs/dbraw/zinc/55/74/57/556557457.db2.gz PTVVHTOELRAGHJ-UHFFFAOYSA-N 0 0 444.556 5.439 40 0 IKABRN CC(C)CCC1=C[C@@](O)(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408958414 556561764 /nfs/dbraw/zinc/56/17/64/556561764.db2.gz YQCWTNLAEOHXBU-APPDUMDISA-N 0 0 441.277 5.036 40 0 IKABRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000408960834 556563760 /nfs/dbraw/zinc/56/37/60/556563760.db2.gz ONKJKFOLIXZUKV-STZFKDTASA-N 0 0 437.952 5.433 40 0 IKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(I)c1 ZINC000033537615 556565567 /nfs/dbraw/zinc/56/55/67/556565567.db2.gz SJDWDMPPFMYKIE-UHFFFAOYSA-N 0 0 429.257 5.123 40 0 IKABRN CC(C)(C)CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1 ZINC000033965639 556570503 /nfs/dbraw/zinc/57/05/03/556570503.db2.gz UZUNCLSDTUBVCN-UHFFFAOYSA-N 0 0 441.619 7.166 40 0 IKABRN CCc1cc(I)ccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000016161226 556586316 /nfs/dbraw/zinc/58/63/16/556586316.db2.gz ZHMLSHIBCGCFAZ-UHFFFAOYSA-N 0 0 443.712 5.141 40 0 IKABRN CCc1cc(I)ccc1NC(=O)COc1ccc2ccccc2c1 ZINC000016161237 556586333 /nfs/dbraw/zinc/58/63/33/556586333.db2.gz TXLHPCANWGQGJD-UHFFFAOYSA-N 0 0 431.273 5.024 40 0 IKABRN CCc1ccc(OCC(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000016162025 556586505 /nfs/dbraw/zinc/58/65/05/556586505.db2.gz YFKCICJHCQIOPE-SFHVURJKSA-N 0 0 428.532 6.588 40 0 IKABRN CN(CCN(C)C(=O)Nc1cccc2ccccc21)C(=O)Nc1cccc2ccccc21 ZINC000016188548 556588550 /nfs/dbraw/zinc/58/85/50/556588550.db2.gz AYZPCAYVYBUYES-UHFFFAOYSA-N 0 0 426.520 5.621 40 0 IKABRN COc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccc(OC)cc3)cc2Cl)cc1 ZINC000016216348 556591968 /nfs/dbraw/zinc/59/19/68/556591968.db2.gz WVRKNIIALGUXNC-UHFFFAOYSA-N 0 0 445.302 5.515 40 0 IKABRN COc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016216961 556592113 /nfs/dbraw/zinc/59/21/13/556592113.db2.gz PBHLZEKBOQMWPC-HHHXNRCGSA-N 0 0 439.946 6.736 40 0 IKABRN COc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1Br ZINC000016226641 556592668 /nfs/dbraw/zinc/59/26/68/556592668.db2.gz GFYKTIBGXKFGHL-UHFFFAOYSA-N 0 0 441.108 6.277 40 0 IKABRN COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1Br ZINC000016226648 556592849 /nfs/dbraw/zinc/59/28/49/556592849.db2.gz SGIXYIMBRDQYRH-UHFFFAOYSA-N 0 0 435.115 5.626 40 0 IKABRN Cc1c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cccc1-c1nc2ccccc2o1 ZINC000016250104 556594624 /nfs/dbraw/zinc/59/46/24/556594624.db2.gz UMBXTMLMPBOCOX-UHFFFAOYSA-N 0 0 435.936 5.512 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408971099 556595030 /nfs/dbraw/zinc/59/50/30/556595030.db2.gz MBLJQNLIDGHBEJ-UHFFFAOYSA-N 0 0 441.742 5.146 40 0 IKABRN COc1ccc2c(Cl)c(C3=N/C(=C\c4cccc(Cl)c4)C(=O)O3)sc2c1Cl ZINC000408971344 556596577 /nfs/dbraw/zinc/59/65/77/556596577.db2.gz IPHDKXAYCLZMRM-WQLSENKSSA-N 0 0 438.719 6.215 40 0 IKABRN Cc1cc(NC(=O)c2ccccc2Cl)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000016282455 556596806 /nfs/dbraw/zinc/59/68/06/556596806.db2.gz AHIIVBSCBAWEMI-UHFFFAOYSA-N 0 0 425.271 5.355 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2cc(Cl)c(C)cc2s1 ZINC000016284216 556596958 /nfs/dbraw/zinc/59/69/58/556596958.db2.gz VJHQWBBJXKEFKY-ONEGZZNKSA-N 0 0 427.740 6.225 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cccc(Cl)c1Cl ZINC000016284487 556597209 /nfs/dbraw/zinc/59/72/09/556597209.db2.gz FZQYUYJMQCEMJS-UHFFFAOYSA-N 0 0 447.325 6.441 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000016284452 556597213 /nfs/dbraw/zinc/59/72/13/556597213.db2.gz CVFQJGLZSSGIMR-UHFFFAOYSA-N 0 0 447.325 6.441 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000016284431 556597223 /nfs/dbraw/zinc/59/72/23/556597223.db2.gz UBBOQSCVBQXBCU-UHFFFAOYSA-N 0 0 434.543 6.432 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000016284474 556597229 /nfs/dbraw/zinc/59/72/29/556597229.db2.gz FWOLVSFCAZWXJW-UHFFFAOYSA-N 0 0 436.515 5.922 40 0 IKABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1 ZINC000016284274 556597254 /nfs/dbraw/zinc/59/72/54/556597254.db2.gz QTHNHYMOSMLBEM-UHFFFAOYSA-N 0 0 426.350 5.047 40 0 IKABRN Cc1ccc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3C)C2)c(C)c1 ZINC000016284954 556597451 /nfs/dbraw/zinc/59/74/51/556597451.db2.gz XNWRFHDOMHALSH-FGZHOGPDSA-N 0 0 436.600 5.670 40 0 IKABRN COc1ccc(C)cc1C(=O)CCCCCCCCCCC(=O)c1cc(C)ccc1OC ZINC000016284681 556597495 /nfs/dbraw/zinc/59/74/95/556597495.db2.gz CLDMLIWCBLWKCE-UHFFFAOYSA-N 0 0 438.608 7.287 40 0 IKABRN Cc1ccc(C)c(NC(=O)NC[C@@H]2C[C@H](CNC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 ZINC000016291016 556597612 /nfs/dbraw/zinc/59/76/12/556597612.db2.gz CQYUGFXDMAIPDA-OYRHEFFESA-N 0 0 436.600 5.526 40 0 IKABRN Cc1ccc(C)c(NC(=O)NC[C@@H]2C[C@@H](CNC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 ZINC000016291012 556597654 /nfs/dbraw/zinc/59/76/54/556597654.db2.gz CQYUGFXDMAIPDA-SFTDATJTSA-N 0 0 436.600 5.526 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000036610878 556598377 /nfs/dbraw/zinc/59/83/77/556598377.db2.gz TWKMCDHWTSQHIJ-BRHPATDUSA-N 0 0 442.640 6.922 40 0 IKABRN Cc1cc(C)n(C[C@@H](O)Cn2c3ccccc3c(-c3ccccc3)c2-c2ccccc2)c(=O)n1 ZINC000036624824 556598639 /nfs/dbraw/zinc/59/86/39/556598639.db2.gz UJIYZTFDPNZRJR-XMMPIXPASA-N 0 0 449.554 5.210 40 0 IKABRN c1ccc(S[C@H]2CSc3nnc4c5ccccc5nc-4n3[C@@H]2c2ccccc2)cc1 ZINC000036625785 556598879 /nfs/dbraw/zinc/59/88/79/556598879.db2.gz FLYYGIVWJQLZTJ-RBBKRZOGSA-N 0 0 426.570 5.787 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2Cl)cc1 ZINC000016309743 556599204 /nfs/dbraw/zinc/59/92/04/556599204.db2.gz JNPPCSCVWDPZAN-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN Cc1ccc(C(=O)c2sc3nc(-c4ccc(C)cc4)cc(-c4ccccc4)c3c2N)cc1 ZINC000016311083 556599634 /nfs/dbraw/zinc/59/96/34/556599634.db2.gz OLEQYEFJTHHQOX-UHFFFAOYSA-N 0 0 434.564 7.060 40 0 IKABRN Cc1ccc(SCC(=O)c2cc(Br)c(C)c(Br)c2O)cc1 ZINC000016310944 556599679 /nfs/dbraw/zinc/59/96/79/556599679.db2.gz RKDRJLRIEIWNGR-UHFFFAOYSA-N 0 0 430.161 5.509 40 0 IKABRN Cc1ccc(C(=O)C[C@H](Sc2cccc(Cl)c2Cl)c2ccc(Cl)cc2)cc1C ZINC000016311922 556599805 /nfs/dbraw/zinc/59/98/05/556599805.db2.gz YOYGQQHSMZPWOZ-QFIPXVFZSA-N 0 0 449.830 8.370 40 0 IKABRN Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(C)c(Cl)c3)c2-c2cccs2)cc1 ZINC000016311692 556599808 /nfs/dbraw/zinc/59/98/08/556599808.db2.gz WYPRJDROPBYVNV-UHFFFAOYSA-N 0 0 432.940 5.514 40 0 IKABRN COc1ccc(OC)c(S[C@H](CC(=O)c2ccc(C)c(C)c2)c2ccc(Cl)cc2)c1 ZINC000016311908 556599897 /nfs/dbraw/zinc/59/98/97/556599897.db2.gz KHZDLYZTLQNQAC-XMMPIXPASA-N 0 0 440.992 7.080 40 0 IKABRN COc1ccc(-c2csc(NC(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1OC ZINC000016323261 556600781 /nfs/dbraw/zinc/60/07/81/556600781.db2.gz MNFXHKZINCLBMH-UHFFFAOYSA-N 0 0 426.538 5.142 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ncccc5o4)cc3)o2)cc1Cl ZINC000016346891 556601557 /nfs/dbraw/zinc/60/15/57/556601557.db2.gz RJDGGWAUMNOIQD-UHFFFAOYSA-N 0 0 429.863 6.364 40 0 IKABRN Cc1ccccc1-c1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccc(F)cc1 ZINC000016363062 556603130 /nfs/dbraw/zinc/60/31/30/556603130.db2.gz CGLJABDTVHHRQL-UHFFFAOYSA-N 0 0 430.874 5.283 40 0 IKABRN Clc1ccc(CSCCCSCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000016385035 556604270 /nfs/dbraw/zinc/60/42/70/556604270.db2.gz LBMSTNYNYRSARY-UHFFFAOYSA-N 0 0 426.261 7.857 40 0 IKABRN S=C(Nc1ccccc1)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000071330699 556604322 /nfs/dbraw/zinc/60/43/22/556604322.db2.gz XLYOWMBYOMGGMM-UHFFFAOYSA-N 0 0 444.610 6.896 40 0 IKABRN S=C(Nc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000071329239 556604335 /nfs/dbraw/zinc/60/43/35/556604335.db2.gz OTBQOMIZHYTFNJ-UHFFFAOYSA-N 0 0 432.552 6.773 40 0 IKABRN O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1CNc1cc(Cl)ccc1Cl ZINC000016384834 556604339 /nfs/dbraw/zinc/60/43/39/556604339.db2.gz DQPCBLMMCVQYHJ-PJQLUOCWSA-N 0 0 448.158 6.406 40 0 IKABRN CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@H]3C/C(=C\c4cnn(C)c4)[C@H](O)[C@]3(C)CC[C@H]21 ZINC000071782837 556604824 /nfs/dbraw/zinc/60/48/24/556604824.db2.gz IBNFQZMCZXLXIE-CKENVCLCSA-N 0 0 448.651 6.290 40 0 IKABRN O=C(CSCCOCCSCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016400733 556605810 /nfs/dbraw/zinc/60/58/10/556605810.db2.gz PMRBTIGWSUNPDH-UHFFFAOYSA-N 0 0 443.417 5.542 40 0 IKABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccc(Cl)cc2)C1)Nc1ccc(Cl)cc1 ZINC000016428370 556607121 /nfs/dbraw/zinc/60/71/21/556607121.db2.gz DTRINMQUDXHKSE-HOTGVXAUSA-N 0 0 449.382 5.743 40 0 IKABRN O=C(c1cccs1)N1CCC(CCCC2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000016430481 556607290 /nfs/dbraw/zinc/60/72/90/556607290.db2.gz PJABILWIBUFAAM-UHFFFAOYSA-N 0 0 430.639 5.385 40 0 IKABRN O=Cc1ccccc1OCc1nc2ccc(Cl)cc2nc1COc1ccccc1C=O ZINC000016449502 556608952 /nfs/dbraw/zinc/60/89/52/556608952.db2.gz KEARFHPBZFXJGQ-UHFFFAOYSA-N 0 0 432.863 5.066 40 0 IKABRN Fc1ccccc1COc1ccc(Br)cc1CNCc1ccccc1Cl ZINC000016449719 556609240 /nfs/dbraw/zinc/60/92/40/556609240.db2.gz XTIOFNXKGTXWAY-UHFFFAOYSA-N 0 0 434.736 6.110 40 0 IKABRN O=c1c(C[NH+]2CCCCC2)c(-c2ccccc2)[n-]n1-c1c(Cl)cc(Cl)cc1Cl ZINC000016478031 556610956 /nfs/dbraw/zinc/61/09/56/556610956.db2.gz ZMQCZEGPIMFEGI-INIZCTEOSA-N 0 0 436.770 5.500 40 0 IKABRN Cc1ccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1C ZINC000100934279 556612120 /nfs/dbraw/zinc/61/21/20/556612120.db2.gz DJOYRLBCLJOQFF-QKDODKLFSA-N 0 0 448.522 5.508 40 0 IKABRN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038232316 556612388 /nfs/dbraw/zinc/61/23/88/556612388.db2.gz LKATWTLUCBJGIB-UHFFFAOYSA-N 0 0 442.184 5.607 40 0 IKABRN O=C(Oc1c2ccccc2oc1-c1nc2ccccc2nc1-c1ccccc1)c1ccccc1 ZINC000016492094 556612514 /nfs/dbraw/zinc/61/25/14/556612514.db2.gz HEPBHQNGLCNFMV-UHFFFAOYSA-N 0 0 442.474 6.929 40 0 IKABRN O=C(Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1cccc(Cl)c1 ZINC000408973869 556613081 /nfs/dbraw/zinc/61/30/81/556613081.db2.gz CEGCVRZIPVGCTK-UHFFFAOYSA-N 0 0 436.898 6.836 40 0 IKABRN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000016523729 556613729 /nfs/dbraw/zinc/61/37/29/556613729.db2.gz LDDGGPPYHJAMJH-UHFFFAOYSA-N 0 0 445.331 5.565 40 0 IKABRN Fc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)c(F)c1 ZINC000016524038 556614074 /nfs/dbraw/zinc/61/40/74/556614074.db2.gz NCXGXADYLJUXRX-UHFFFAOYSA-N 0 0 427.281 6.890 40 0 IKABRN O=C1OC(c2cccc3ccccc32)=N/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000016526269 556614417 /nfs/dbraw/zinc/61/44/17/556614417.db2.gz IEORRWJINBREJA-STZFKDTASA-N 0 0 444.284 6.207 40 0 IKABRN Cc1cc2nc3s/c(=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)c(=O)n3c2cc1C ZINC000408974722 556615394 /nfs/dbraw/zinc/61/53/94/556615394.db2.gz CJEUHBYEOYFPBJ-KEBDBYFISA-N 0 0 441.339 5.641 40 0 IKABRN CC(C)CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2s1 ZINC000016575369 556615760 /nfs/dbraw/zinc/61/57/60/556615760.db2.gz UNBOKMFWMFSZQE-UHFFFAOYSA-N 0 0 441.405 6.369 40 0 IKABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000016575624 556615766 /nfs/dbraw/zinc/61/57/66/556615766.db2.gz SCDOBXAFNHJFMA-UHFFFAOYSA-N 0 0 430.533 5.144 40 0 IKABRN O=C(NCc1ccccc1-n1ccnc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000038752618 556616266 /nfs/dbraw/zinc/61/62/66/556616266.db2.gz LHRMHNZDGOLFII-UHFFFAOYSA-N 0 0 433.964 5.748 40 0 IKABRN C[C@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1Cl ZINC000016577315 556616404 /nfs/dbraw/zinc/61/64/04/556616404.db2.gz IFSQQFNRMGQSIP-RTWAWAEBSA-N 0 0 434.761 5.664 40 0 IKABRN C[C@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1Cl ZINC000016577321 556616477 /nfs/dbraw/zinc/61/64/77/556616477.db2.gz IFSQQFNRMGQSIP-SFTDATJTSA-N 0 0 434.761 5.664 40 0 IKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000038754118 556616763 /nfs/dbraw/zinc/61/67/63/556616763.db2.gz KKNKBPXHNLLNAF-VWLOTQADSA-N 0 0 443.587 6.628 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)nc2c1 ZINC000016610718 556617525 /nfs/dbraw/zinc/61/75/25/556617525.db2.gz LEOUKFHSHDTINE-IBGZPJMESA-N 0 0 442.559 7.149 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nc2c1 ZINC000016610663 556617554 /nfs/dbraw/zinc/61/75/54/556617554.db2.gz HKRGAQBXRPRNEI-MBNYPGIVSA-N 0 0 438.571 7.784 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nc2c1 ZINC000016610857 556617788 /nfs/dbraw/zinc/61/77/88/556617788.db2.gz CJGHOSWXIGOZHK-CYBMUJFWSA-N 0 0 439.309 6.616 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)cc2)cc1 ZINC000038755750 556617847 /nfs/dbraw/zinc/61/78/47/556617847.db2.gz CBSZENWEBLUCPB-MUUNZHRXSA-N 0 0 437.608 7.115 40 0 IKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000038755628 556617850 /nfs/dbraw/zinc/61/78/50/556617850.db2.gz UDVQAFWIJUTSCV-CYBMUJFWSA-N 0 0 425.381 5.394 40 0 IKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000016610827 556617830 /nfs/dbraw/zinc/61/78/30/556617830.db2.gz OUAGCOJMGMIIIM-RBUKOAKNSA-N 0 0 442.559 7.438 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)ccc4OC)c3)nc2c1 ZINC000016610779 556617833 /nfs/dbraw/zinc/61/78/33/556617833.db2.gz QHBPDLODHLWQPX-HNNXBMFYSA-N 0 0 434.923 6.923 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)nc2c1 ZINC000016610835 556617835 /nfs/dbraw/zinc/61/78/35/556617835.db2.gz URCLWTOABLJOMI-LJQANCHMSA-N 0 0 442.559 7.295 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c(Cl)c4)c3)nc2c1 ZINC000016610798 556617842 /nfs/dbraw/zinc/61/78/42/556617842.db2.gz DOMFMCIZBZRQQJ-OAHLLOKOSA-N 0 0 434.923 6.923 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)ccc4OC)c3)nc2c1 ZINC000016610776 556617848 /nfs/dbraw/zinc/61/78/48/556617848.db2.gz QHBPDLODHLWQPX-OAHLLOKOSA-N 0 0 434.923 6.923 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)nc2c1 ZINC000016610838 556617852 /nfs/dbraw/zinc/61/78/52/556617852.db2.gz URCLWTOABLJOMI-IBGZPJMESA-N 0 0 442.559 7.295 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(F)cc4)c3)nc2c1 ZINC000016611131 556618048 /nfs/dbraw/zinc/61/80/48/556618048.db2.gz PWSIGKMORHCQAY-OAHLLOKOSA-N 0 0 447.535 6.274 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4)c3)nc2c1 ZINC000016611118 556618103 /nfs/dbraw/zinc/61/81/03/556618103.db2.gz GRTBWZMXGVYIQM-QGZVFWFLSA-N 0 0 443.572 6.444 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4)c3)nc2c1 ZINC000016611239 556618137 /nfs/dbraw/zinc/61/81/37/556618137.db2.gz AEGCNZKQQPOFFK-MRXNPFEDSA-N 0 0 429.545 6.135 40 0 IKABRN COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000038756455 556618333 /nfs/dbraw/zinc/61/83/33/556618333.db2.gz RWXJEMOHNLUBTR-SFHVURJKSA-N 0 0 447.600 6.343 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)c1C ZINC000038757303 556618616 /nfs/dbraw/zinc/61/86/16/556618616.db2.gz LYSKPXKNUWHMTJ-XMMPIXPASA-N 0 0 448.588 5.220 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000038757323 556618677 /nfs/dbraw/zinc/61/86/77/556618677.db2.gz OOEFOXGXICCJNE-UHFFFAOYSA-N 0 0 440.590 5.469 40 0 IKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000038771244 556619000 /nfs/dbraw/zinc/61/90/00/556619000.db2.gz XMSUCABHXZXKAV-QGZVFWFLSA-N 0 0 432.800 5.854 40 0 IKABRN CCCCCCNC(=S)Nc1cccc2c(NC(=S)NCCCCCC)cccc12 ZINC000016638123 556619236 /nfs/dbraw/zinc/61/92/36/556619236.db2.gz ZXFMRDBDDJJQCW-UHFFFAOYSA-N 0 0 444.714 6.573 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2Cl)cc1 ZINC000038772426 556619412 /nfs/dbraw/zinc/61/94/12/556619412.db2.gz SYGYJNYMHPSSEQ-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN COCc1nn2c(ncc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1ccc(Cl)cc1 ZINC000038829779 556621023 /nfs/dbraw/zinc/62/10/23/556621023.db2.gz MVMURJOFWLKUAD-UHFFFAOYSA-N 0 0 441.318 5.410 40 0 IKABRN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)cnc2c(-c3cccc(Cl)c3)cnn21 ZINC000038829652 556621051 /nfs/dbraw/zinc/62/10/51/556621051.db2.gz XFCMZYCEVIAWSH-UHFFFAOYSA-N 0 0 430.817 5.629 40 0 IKABRN O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038833950 556622120 /nfs/dbraw/zinc/62/21/20/556622120.db2.gz PIQZOSHBHFNJNE-UHFFFAOYSA-N 0 0 442.184 5.607 40 0 IKABRN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834010 556622502 /nfs/dbraw/zinc/62/25/02/556622502.db2.gz KBBURDVIOMMGCW-UHFFFAOYSA-N 0 0 442.184 5.607 40 0 IKABRN Cc1ccc(SCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038836694 556623390 /nfs/dbraw/zinc/62/33/90/556623390.db2.gz RUIPSMXTEUYVJS-UHFFFAOYSA-N 0 0 437.436 5.422 40 0 IKABRN Cc1ccc(SCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038836697 556623438 /nfs/dbraw/zinc/62/34/38/556623438.db2.gz DZPGCTPASOAGEH-UHFFFAOYSA-N 0 0 437.436 5.422 40 0 IKABRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038848667 556623739 /nfs/dbraw/zinc/62/37/39/556623739.db2.gz LOJKRHVYSXZTFW-UHFFFAOYSA-N 0 0 446.205 5.829 40 0 IKABRN CCN1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 ZINC000016681544 556624080 /nfs/dbraw/zinc/62/40/80/556624080.db2.gz XNYPEOSODONAOV-UHFFFAOYSA-N 0 0 428.363 5.541 40 0 IKABRN COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038850220 556624416 /nfs/dbraw/zinc/62/44/16/556624416.db2.gz UCIGWOILPRCNSH-AWEZNQCLSA-N 0 0 427.759 5.506 40 0 IKABRN O=C(NCCSC1CCCCC1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038852835 556625033 /nfs/dbraw/zinc/62/50/33/556625033.db2.gz JYIRIJANTMEDCS-UHFFFAOYSA-N 0 0 429.457 5.388 40 0 IKABRN CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038856230 556625590 /nfs/dbraw/zinc/62/55/90/556625590.db2.gz ULXPJVDAQZLWIW-UHFFFAOYSA-N 0 0 429.402 5.425 40 0 IKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000039013169 556626763 /nfs/dbraw/zinc/62/67/63/556626763.db2.gz OOUCIUZOGLWLAN-NDDUEHJASA-N 0 0 430.717 6.996 40 0 biogenic IKABRN Cc1oc2ccccc2c1-c1cs/c(=N\S(=O)(=O)c2ccccc2)n1-c1ccccc1 ZINC000016696073 556628827 /nfs/dbraw/zinc/62/88/27/556628827.db2.gz PZMNMBONEFBLIY-IZHYLOQSSA-N 0 0 446.553 5.550 40 0 IKABRN c1ccc2cc(Nc3ccc(-c4ccc(Nc5ccc6ccccc6c5)cc4)cc3)ccc2c1 ZINC000016697807 556629273 /nfs/dbraw/zinc/62/92/73/556629273.db2.gz WFUHVLZOAXEIIA-UHFFFAOYSA-N 0 0 436.558 9.147 40 0 IKABRN O=C1SC[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)N1Cc1ccccc1 ZINC000016712006 556630169 /nfs/dbraw/zinc/63/01/69/556630169.db2.gz XASMYCNNQLLLHV-WIOPSUGQSA-N 0 0 427.529 5.253 40 0 IKABRN CCOP(=O)(OCC)C(c1ccccc1-c1ccccc1)P(=O)(OCC)OCC ZINC000039953684 556630459 /nfs/dbraw/zinc/63/04/59/556630459.db2.gz MBKJISYBXHHYBN-UHFFFAOYSA-N 0 0 440.413 6.884 40 0 IKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)c1ccc(Cl)cc1 ZINC000016713360 556630522 /nfs/dbraw/zinc/63/05/22/556630522.db2.gz XNBPXLJMRLXIMP-UHFFFAOYSA-N 0 0 431.369 6.640 40 0 IKABRN Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)n3c4ccccc4nc32)cc1 ZINC000039964003 556630991 /nfs/dbraw/zinc/63/09/91/556630991.db2.gz BHMAPFATEGQUDA-DEOSSOPVSA-N 0 0 438.531 5.078 40 0 IKABRN Cc1ccc(NC(=O)Nc2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1 ZINC000408978454 556633699 /nfs/dbraw/zinc/63/36/99/556633699.db2.gz IKUFYZIWXOLIOP-UHFFFAOYSA-N 0 0 442.569 7.039 40 0 IKABRN CC(C)COC(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1 ZINC000016740454 556634590 /nfs/dbraw/zinc/63/45/90/556634590.db2.gz QFHCFCQUJOMFAJ-UHFFFAOYSA-N 0 0 425.488 5.362 40 0 IKABRN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc(Br)cc2)cc1 ZINC000016740587 556634677 /nfs/dbraw/zinc/63/46/77/556634677.db2.gz XUOCLBJLWCDMFO-LJQANCHMSA-N 0 0 447.420 7.197 40 0 IKABRN CCOc1ccc(NC(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 ZINC000408978915 556635153 /nfs/dbraw/zinc/63/51/53/556635153.db2.gz OOSMMHUMSPNDFM-UHFFFAOYSA-N 0 0 438.491 5.663 40 0 IKABRN CCOc1ccccc1NC(=O)c1nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1C ZINC000040385049 556635676 /nfs/dbraw/zinc/63/56/76/556635676.db2.gz NPUVLSKQXVRPBC-UHFFFAOYSA-N 0 0 449.942 5.528 40 0 IKABRN Cc1cc(C)nc(Nc2nc(-c3ccccc3)cn2-c2ccc(Oc3ccccc3)cc2)c1 ZINC000040385423 556635681 /nfs/dbraw/zinc/63/56/81/556635681.db2.gz ZRTQPJCVYVDPRU-UHFFFAOYSA-N 0 0 432.527 7.087 40 0 IKABRN CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757849 556639440 /nfs/dbraw/zinc/63/94/40/556639440.db2.gz XJCKPCUUDSJSBH-OAHLLOKOSA-N 0 0 437.952 5.785 40 0 IKABRN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@H](C)CC(C)=O)cc1 ZINC000016757535 556639564 /nfs/dbraw/zinc/63/95/64/556639564.db2.gz TVRFUZGDAPTMTF-GOSISDBHSA-N 0 0 431.561 5.946 40 0 IKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2cccc(F)c2)c1 ZINC000016757720 556639650 /nfs/dbraw/zinc/63/96/50/556639650.db2.gz WUIXRBJLOCOMLI-UHFFFAOYSA-N 0 0 425.532 6.827 40 0 IKABRN CCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016758000 556639760 /nfs/dbraw/zinc/63/97/60/556639760.db2.gz CXWQKLWPLLAZLC-UHFFFAOYSA-N 0 0 438.394 6.742 40 0 IKABRN CC(=O)C[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758102 556639844 /nfs/dbraw/zinc/63/98/44/556639844.db2.gz XZLQNGBVWLOETP-KRWDZBQOSA-N 0 0 435.980 6.509 40 0 IKABRN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(Cc2ccccc2)C(C)C)cc1 ZINC000016768328 556640149 /nfs/dbraw/zinc/64/01/49/556640149.db2.gz PKXDQBLXGNSBQW-UHFFFAOYSA-N 0 0 448.570 6.511 40 0 IKABRN COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1C ZINC000016778774 556640762 /nfs/dbraw/zinc/64/07/62/556640762.db2.gz MFASIAOHSCOZTO-JOCHJYFZSA-N 0 0 449.890 5.410 40 0 IKABRN Cc1cc(Nc2nc3ccccc3nc2Nc2ccccc2Cl)n(-c2ccccc2)n1 ZINC000016778284 556640765 /nfs/dbraw/zinc/64/07/65/556640765.db2.gz ZRZMYRKDZDIRMB-UHFFFAOYSA-N 0 0 426.911 6.265 40 0 IKABRN Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@@H](Sc2ccccc2)CS1 ZINC000016779182 556640970 /nfs/dbraw/zinc/64/09/70/556640970.db2.gz FPHWAICXXZYOFX-ICSRJNTNSA-N 0 0 436.627 5.931 40 0 IKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1cccc(F)c1 ZINC000016788859 556641972 /nfs/dbraw/zinc/64/19/72/556641972.db2.gz GTONJTJIWWQBGJ-UHFFFAOYSA-N 0 0 438.915 5.458 40 0 IKABRN COc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccc(OC)c2)cc1 ZINC000016789138 556642159 /nfs/dbraw/zinc/64/21/59/556642159.db2.gz BHPSDRKJSQZBDM-UHFFFAOYSA-N 0 0 443.532 5.120 40 0 IKABRN COc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccc(Cl)cc2)c1 ZINC000016789124 556642164 /nfs/dbraw/zinc/64/21/64/556642164.db2.gz IUWDYBLVSPVRGE-UHFFFAOYSA-N 0 0 447.951 5.765 40 0 IKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccccc2)cc1 ZINC000016789318 556642176 /nfs/dbraw/zinc/64/21/76/556642176.db2.gz JXGMNTYLRCQJJL-UHFFFAOYSA-N 0 0 448.523 5.025 40 0 IKABRN CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 ZINC000016789465 556642433 /nfs/dbraw/zinc/64/24/33/556642433.db2.gz JBAJGFPCNCSQNU-GOSISDBHSA-N 0 0 443.576 5.574 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1 ZINC000016789509 556642511 /nfs/dbraw/zinc/64/25/11/556642511.db2.gz CYLOIVWTWRYHHP-UHFFFAOYSA-N 0 0 449.967 5.276 40 0 IKABRN COc1cccc(NC(=S)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)c1 ZINC000408979170 556644045 /nfs/dbraw/zinc/64/40/45/556644045.db2.gz PMIMPRZNQDQQHS-UHFFFAOYSA-N 0 0 440.532 5.438 40 0 IKABRN Cc1nc(NC(=O)c2cccs2)sc1-c1csc(Nc2nccc3ccccc32)n1 ZINC000040556500 556644643 /nfs/dbraw/zinc/64/46/43/556644643.db2.gz KINYBOPNHWNKMY-UHFFFAOYSA-N 0 0 449.586 6.181 40 0 IKABRN COc1ccccc1Nc1nc(-c2sc(NC(=O)C[C@@H]3CCCCO3)nc2C)cs1 ZINC000040556488 556644721 /nfs/dbraw/zinc/64/47/21/556644721.db2.gz DRBSJFNCVFSEGI-AWEZNQCLSA-N 0 0 444.582 5.225 40 0 IKABRN Nc1nnc(SCCCCCCCCCCCCSc2nnc(N)s2)s1 ZINC000016940875 556649373 /nfs/dbraw/zinc/64/93/73/556649373.db2.gz MWMUYLRULAJDDS-UHFFFAOYSA-N 0 0 432.710 5.339 40 0 IKABRN COC(=O)[C@@H](N)Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000016951199 556649819 /nfs/dbraw/zinc/64/98/19/556649819.db2.gz MCHCARFNAUXEMK-MHZLTWQESA-N 0 0 437.539 5.100 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(Br)c1 ZINC000040942991 556652329 /nfs/dbraw/zinc/65/23/29/556652329.db2.gz XLZKWLXIOJDFEX-UHFFFAOYSA-N 0 0 427.136 5.353 40 0 IKABRN CC(C)S[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000016997639 556652696 /nfs/dbraw/zinc/65/26/96/556652696.db2.gz DAGGNEYBJKODSS-GFCCVEGCSA-N 0 0 426.576 5.753 40 0 IKABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000408980053 556652624 /nfs/dbraw/zinc/65/26/24/556652624.db2.gz UCKFHAMEADBCCQ-SFHVURJKSA-N 0 0 443.510 5.345 40 0 IKABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000101071418 556653510 /nfs/dbraw/zinc/65/35/10/556653510.db2.gz GWFDKPXTLMKEHJ-ZVDOUQERSA-N 0 0 439.298 5.045 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3ccccc3OC)OC2=O)ccc1OCc1cccc(C)c1 ZINC000017086201 556657463 /nfs/dbraw/zinc/65/74/63/556657463.db2.gz RSCQZCDWCCNXPG-PXLXIMEGSA-N 0 0 443.499 5.326 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(F)cc1 ZINC000017086204 556657504 /nfs/dbraw/zinc/65/75/04/556657504.db2.gz DUKSCQNDKAEOHH-CIAFOILYSA-N 0 0 435.426 5.287 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)C(Cl)(Cl)Cl)cc3n2)cc1 ZINC000017094608 556657912 /nfs/dbraw/zinc/65/79/12/556657912.db2.gz UZPOOAQGUQTKDM-UHFFFAOYSA-N 0 0 425.747 5.380 40 0 IKABRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1cc2ccccc2o1 ZINC000017095385 556658786 /nfs/dbraw/zinc/65/87/86/556658786.db2.gz LIVIACNYCICZHE-UHFFFAOYSA-N 0 0 427.485 5.046 40 0 IKABRN O=C(COc1cccc2ccccc21)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000017096189 556660021 /nfs/dbraw/zinc/66/00/21/556660021.db2.gz FXBWEBAUTHTKLX-UHFFFAOYSA-N 0 0 428.879 5.245 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nc2ccccc2s1 ZINC000017096335 556660251 /nfs/dbraw/zinc/66/02/51/556660251.db2.gz LORAFRJKJOMIBE-UHFFFAOYSA-N 0 0 429.328 6.288 40 0 IKABRN CCN(CC)c1ccc2cc(-c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1 ZINC000017097990 556662503 /nfs/dbraw/zinc/66/25/03/556662503.db2.gz MBQBLMOCTYBTMW-UHFFFAOYSA-N 0 0 432.520 5.259 40 0 IKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(CC)cc4)cc3n2)cc1 ZINC000017098275 556663025 /nfs/dbraw/zinc/66/30/25/556663025.db2.gz DWVABWZNRXNKLW-UHFFFAOYSA-N 0 0 432.955 6.231 40 0 IKABRN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000017098776 556663770 /nfs/dbraw/zinc/66/37/70/556663770.db2.gz SOOGVUNYWCSQQR-UHFFFAOYSA-N 0 0 434.389 6.220 40 0 IKABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000017099954 556665203 /nfs/dbraw/zinc/66/52/03/556665203.db2.gz VPLOOMXQUZRYMQ-UHFFFAOYSA-N 0 0 436.309 5.562 40 0 IKABRN Cc1cc(NC(=S)NC(=O)c2ccc(F)cc2)cc(-c2nc3ccccc3s2)c1O ZINC000017101450 556666094 /nfs/dbraw/zinc/66/60/94/556666094.db2.gz BZTMNFBPIMZMMI-UHFFFAOYSA-N 0 0 437.521 5.243 40 0 IKABRN Cc1cc(NC(=S)NC(=O)c2ccccc2Cl)cc(-c2nc3ccccc3o2)c1O ZINC000017101749 556666300 /nfs/dbraw/zinc/66/63/00/556666300.db2.gz PSLGSBIXAYJYPP-UHFFFAOYSA-N 0 0 437.908 5.289 40 0 IKABRN O=C(COc1ccc2ccccc2c1Br)NCc1ccc(Cl)cc1Cl ZINC000044836754 556667824 /nfs/dbraw/zinc/66/78/24/556667824.db2.gz YRVFNLIXJCGEME-UHFFFAOYSA-N 0 0 439.136 5.604 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000044837125 556667886 /nfs/dbraw/zinc/66/78/86/556667886.db2.gz QQXJMDQTEYEKID-UHFFFAOYSA-N 0 0 445.184 5.749 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)c(Cl)c2)cc1 ZINC000044838711 556668098 /nfs/dbraw/zinc/66/80/98/556668098.db2.gz GVGLXEZFLGYXFA-UHFFFAOYSA-N 0 0 442.968 5.825 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3C)cc2Cl)cc1 ZINC000044841306 556668415 /nfs/dbraw/zinc/66/84/15/556668415.db2.gz REYFEHZXHSJULQ-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000044842416 556668566 /nfs/dbraw/zinc/66/85/66/556668566.db2.gz OLHSLORWHSTWER-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000044841889 556668695 /nfs/dbraw/zinc/66/86/95/556668695.db2.gz AJFGGLPQLOUPQC-VWLOTQADSA-N 0 0 427.569 6.928 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2C)cc1 ZINC000044842811 556668871 /nfs/dbraw/zinc/66/88/71/556668871.db2.gz LTBAFEXJCMXFIA-UHFFFAOYSA-N 0 0 442.968 5.030 40 0 IKABRN Cc1ccc([C@@H](NC(=O)COc2cc(C)c(Br)c(C)c2)c2ccccc2)cc1 ZINC000044847043 556669626 /nfs/dbraw/zinc/66/96/26/556669626.db2.gz KDVOJOISPYEVAX-DEOSSOPVSA-N 0 0 438.365 5.659 40 0 IKABRN CC(C)C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000044847634 556669932 /nfs/dbraw/zinc/66/99/32/556669932.db2.gz MRDHTAFYQBDSDS-OAQYLSRUSA-N 0 0 442.606 5.090 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000044848586 556669974 /nfs/dbraw/zinc/66/99/74/556669974.db2.gz AHHFTYXRQZFTCN-INZJWMLVSA-N 0 0 433.979 6.793 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 ZINC000044848616 556670140 /nfs/dbraw/zinc/67/01/40/556670140.db2.gz JULYMEHGKFCSOB-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN Cc1ccc(SCCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044849716 556670165 /nfs/dbraw/zinc/67/01/65/556670165.db2.gz NUNCYIYGAGJDHX-UHFFFAOYSA-N 0 0 431.601 6.644 40 0 IKABRN Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)c1 ZINC000044848909 556670171 /nfs/dbraw/zinc/67/01/71/556670171.db2.gz XJOBIXQACBCYMM-UHFFFAOYSA-N 0 0 442.968 5.247 40 0 IKABRN Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000044852575 556670635 /nfs/dbraw/zinc/67/06/35/556670635.db2.gz FJVHGOKGXJLQKW-QGZVFWFLSA-N 0 0 435.395 5.098 40 0 IKABRN Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000044852577 556670765 /nfs/dbraw/zinc/67/07/65/556670765.db2.gz FJVHGOKGXJLQKW-KRWDZBQOSA-N 0 0 435.395 5.098 40 0 IKABRN Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044852879 556671115 /nfs/dbraw/zinc/67/11/15/556671115.db2.gz SVHYNMZSRORHPT-QGZVFWFLSA-N 0 0 435.395 5.098 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C ZINC000044856367 556672176 /nfs/dbraw/zinc/67/21/76/556672176.db2.gz HFFPZBZKLBLUQN-GOSISDBHSA-N 0 0 429.402 5.155 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1C ZINC000044856681 556672180 /nfs/dbraw/zinc/67/21/80/556672180.db2.gz PETWZJNBMRDFFY-QHCPKHFHSA-N 0 0 443.429 5.545 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)c(C)c1 ZINC000044856524 556672221 /nfs/dbraw/zinc/67/22/21/556672221.db2.gz LXPSGIKLDWZLJR-HSZRJFAPSA-N 0 0 443.429 5.545 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1C ZINC000044856677 556672271 /nfs/dbraw/zinc/67/22/71/556672271.db2.gz GERMOBCUGQRWNX-QHCPKHFHSA-N 0 0 433.423 6.090 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1C ZINC000044856682 556672289 /nfs/dbraw/zinc/67/22/89/556672289.db2.gz PETWZJNBMRDFFY-HSZRJFAPSA-N 0 0 443.429 5.545 40 0 IKABRN O=C(NC(=O)[C@@H](Cc1ccccc1)c1ccccc1)[C@H](Cc1ccccc1)c1ccccc1 ZINC000017195462 556672692 /nfs/dbraw/zinc/67/26/92/556672692.db2.gz LZTSRBKLLPUGCI-HNRBIFIRSA-N 0 0 433.551 5.682 40 0 IKABRN c1ccc(C2=Cc3ccccc3O[C@@H]2O[C@@H]2Oc3ccccc3C=C2c2ccccc2)cc1 ZINC000017212604 556673407 /nfs/dbraw/zinc/67/34/07/556673407.db2.gz YAKDOYHRLNCZJM-RNPORBBMSA-N 0 0 430.503 6.922 40 0 IKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000044884797 556675051 /nfs/dbraw/zinc/67/50/51/556675051.db2.gz LJLAGEMFHOLUCI-SFHVURJKSA-N 0 0 432.413 6.053 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000044885451 556675226 /nfs/dbraw/zinc/67/52/26/556675226.db2.gz BNPWFNQGGRVNGD-RUZDIDTESA-N 0 0 437.967 6.445 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000044886075 556675526 /nfs/dbraw/zinc/67/55/26/556675526.db2.gz MAIGXMXDFJUOBP-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCSCc3ccccc3)c2)cc1 ZINC000044899762 556676488 /nfs/dbraw/zinc/67/64/88/556676488.db2.gz FVYLNWIPJZBLGC-UHFFFAOYSA-N 0 0 446.616 6.498 40 0 IKABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000044899919 556676698 /nfs/dbraw/zinc/67/66/98/556676698.db2.gz YRYVSBRJCUXGEH-FQEVSTJZSA-N 0 0 428.941 5.022 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(CN2CCc3ccccc32)cc1 ZINC000044900095 556676963 /nfs/dbraw/zinc/67/69/63/556676963.db2.gz QOMPVIGGYQWPGL-UHFFFAOYSA-N 0 0 430.857 6.174 40 0 IKABRN CCOc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044900188 556677132 /nfs/dbraw/zinc/67/71/32/556677132.db2.gz WVNDJSTXFCCBPX-UHFFFAOYSA-N 0 0 444.940 5.100 40 0 IKABRN CCOC(=O)c1cc(NC(=O)c2ccccc2SCc2ccccc2)ccc1Cl ZINC000044902227 556678542 /nfs/dbraw/zinc/67/85/42/556678542.db2.gz ZQDGAGZHTHYTHN-UHFFFAOYSA-N 0 0 425.937 6.061 40 0 IKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(CN2CCc3ccccc32)cc1 ZINC000044903019 556678643 /nfs/dbraw/zinc/67/86/43/556678643.db2.gz HNGRHLFZILLCEK-UHFFFAOYSA-N 0 0 431.750 6.462 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)c(Cl)c1 ZINC000044903283 556678742 /nfs/dbraw/zinc/67/87/42/556678742.db2.gz PWVVYFMLOUSTGE-UHFFFAOYSA-N 0 0 439.589 6.281 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1Cl ZINC000044903539 556679069 /nfs/dbraw/zinc/67/90/69/556679069.db2.gz XFXPZFHTLYRFFJ-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2Cl)cc1 ZINC000044904775 556679608 /nfs/dbraw/zinc/67/96/08/556679608.db2.gz SPXQYSHZVUQRKM-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN O=C(NCCCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000044906253 556679806 /nfs/dbraw/zinc/67/98/06/556679806.db2.gz SZUYYUXHWAERGV-UHFFFAOYSA-N 0 0 439.814 5.608 40 0 IKABRN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906079 556679824 /nfs/dbraw/zinc/67/98/24/556679824.db2.gz HNLWXFFPIXCAFF-QGZVFWFLSA-N 0 0 447.450 6.380 40 0 IKABRN Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000044905846 556679835 /nfs/dbraw/zinc/67/98/35/556679835.db2.gz PRDRFCYUKVZESM-GOSISDBHSA-N 0 0 429.402 5.155 40 0 IKABRN C[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906085 556679860 /nfs/dbraw/zinc/67/98/60/556679860.db2.gz OELIFZZXEIJUFJ-KRWDZBQOSA-N 0 0 447.450 6.380 40 0 IKABRN CCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000044909943 556680679 /nfs/dbraw/zinc/68/06/79/556680679.db2.gz DLLSSHSKKRENRS-UHFFFAOYSA-N 0 0 449.422 5.353 40 0 IKABRN CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044911891 556680960 /nfs/dbraw/zinc/68/09/60/556680960.db2.gz ZBCFWFRPCVKBDT-UHFFFAOYSA-N 0 0 449.378 5.329 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000044911679 556681057 /nfs/dbraw/zinc/68/10/57/556681057.db2.gz ZBEZTVGBMPEIBC-UHFFFAOYSA-N 0 0 449.378 5.329 40 0 IKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044915729 556681177 /nfs/dbraw/zinc/68/11/77/556681177.db2.gz KODHYWNCSJRGPG-NRFANRHFSA-N 0 0 432.951 5.422 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c(C)c1 ZINC000044934937 556682463 /nfs/dbraw/zinc/68/24/63/556682463.db2.gz SVPFACAFZDWIRB-GOSISDBHSA-N 0 0 429.402 5.155 40 0 IKABRN CC(C)C[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000044936879 556682948 /nfs/dbraw/zinc/68/29/48/556682948.db2.gz AACSPUKPGGYRBS-HSZRJFAPSA-N 0 0 433.423 6.109 40 0 IKABRN CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 ZINC000044936891 556683053 /nfs/dbraw/zinc/68/30/53/556683053.db2.gz OQVDULGBTJCHAI-HSZRJFAPSA-N 0 0 443.429 5.565 40 0 IKABRN CCN(c1ccc(C(=O)N(C)C2CCCCC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000044946375 556683534 /nfs/dbraw/zinc/68/35/34/556683534.db2.gz RAMOWQSOTPJQMJ-UHFFFAOYSA-N 0 0 446.638 5.028 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2C)c1 ZINC000044947636 556683836 /nfs/dbraw/zinc/68/38/36/556683836.db2.gz STXYJWWGPNCLFT-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN Cc1ccccc1[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 ZINC000044949435 556684099 /nfs/dbraw/zinc/68/40/99/556684099.db2.gz ZZUZILBRTOGECM-QFIPXVFZSA-N 0 0 444.756 5.696 40 0 IKABRN Clc1cc2[nH]c(-c3cccc(I)c3)nc2c(Br)c1 ZINC000226342986 556684445 /nfs/dbraw/zinc/68/44/45/556684445.db2.gz MFLBYASXWWMEBK-UHFFFAOYSA-N 0 0 433.474 5.250 40 0 IKABRN Brc1cc2[nH]c(C(c3ccccc3)c3ccccc3)nc2c(Br)c1 ZINC000226342828 556684517 /nfs/dbraw/zinc/68/45/17/556684517.db2.gz WDMRXJWPYMIQCT-UHFFFAOYSA-N 0 0 442.154 6.268 40 0 IKABRN COC(=O)c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Br)o1 ZINC000226359402 556684802 /nfs/dbraw/zinc/68/48/02/556684802.db2.gz UTNXHXVNDNIVDY-UHFFFAOYSA-N 0 0 427.998 5.277 40 0 IKABRN Cc1cccc(C2=N/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)O2)c1 ZINC000408984332 556685009 /nfs/dbraw/zinc/68/50/09/556685009.db2.gz IUBRJLLCCBMNCG-XKZIYDEJSA-N 0 0 438.310 6.225 40 0 IKABRN COC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3F)o2)c2ccccc12 ZINC000226769376 556685296 /nfs/dbraw/zinc/68/52/96/556685296.db2.gz TWTPIQHDMHTLEB-UHFFFAOYSA-N 0 0 442.240 5.278 40 0 IKABRN COc1ccc(CSC2=N[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1 ZINC000408985356 556686918 /nfs/dbraw/zinc/68/69/18/556686918.db2.gz ARELTPKWTXDLAR-DEOSSOPVSA-N 0 0 443.572 5.542 40 0 IKABRN O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2ccccc2)C12c1ccccc1C(=O)c1ccccc12 ZINC000018256060 556688457 /nfs/dbraw/zinc/68/84/57/556688457.db2.gz CCPHOZPNGOCXHR-WMPKNSHKSA-N 0 0 428.487 5.529 40 0 IKABRN Cc1cccc(C2=N/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)O2)c1 ZINC000408987924 556693310 /nfs/dbraw/zinc/69/33/10/556693310.db2.gz PRMRWGFEZPNPTC-WSDLNYQXSA-N 0 0 438.310 6.225 40 0 IKABRN CC(C)(C)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)ncc2-c2ccncc2)CC1 ZINC000019081078 556695868 /nfs/dbraw/zinc/69/58/68/556695868.db2.gz LTMQFMQZSILVAS-UHFFFAOYSA-N 0 0 434.971 5.611 40 0 IKABRN CC(C)(C)C(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 ZINC000019081263 556696050 /nfs/dbraw/zinc/69/60/50/556696050.db2.gz YIEFDCCMSNHBAZ-SFHVURJKSA-N 0 0 433.531 5.173 40 0 IKABRN CC(C)(C)C(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019081267 556696096 /nfs/dbraw/zinc/69/60/96/556696096.db2.gz FOXRTYDQYGJOKZ-SFHVURJKSA-N 0 0 433.531 5.173 40 0 IKABRN Cc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)c(C)c1 ZINC000000800051 556696337 /nfs/dbraw/zinc/69/63/37/556696337.db2.gz SUWBEXVGILQERW-IBGZPJMESA-N 0 0 438.515 5.450 40 0 IKABRN Cc1ccc(C)c(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 ZINC000000800054 556696542 /nfs/dbraw/zinc/69/65/42/556696542.db2.gz XMBNESOQBYJEJM-LJQANCHMSA-N 0 0 438.515 5.450 40 0 IKABRN CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1 ZINC000019084720 556698816 /nfs/dbraw/zinc/69/88/16/556698816.db2.gz DQSIPDYFNAVKIK-UHFFFAOYSA-N 0 0 436.506 5.134 40 0 IKABRN CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000019084718 556698822 /nfs/dbraw/zinc/69/88/22/556698822.db2.gz NGMBPWCTHRWDQX-UHFFFAOYSA-N 0 0 436.506 5.134 40 0 IKABRN COc1cc(OC)c([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1Br ZINC000000818964 556699180 /nfs/dbraw/zinc/69/91/80/556699180.db2.gz UVTZSZQVGLJCLC-OAQYLSRUSA-N 0 0 439.309 5.237 40 0 IKABRN CC(C)(COC(=O)Nc1ccccc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl ZINC000000823357 556699372 /nfs/dbraw/zinc/69/93/72/556699372.db2.gz YARDGUKBJJCSBK-SFHVURJKSA-N 0 0 439.364 5.595 40 0 IKABRN CC(C)(COC(=O)Nc1ccccc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl ZINC000000823356 556699441 /nfs/dbraw/zinc/69/94/41/556699441.db2.gz YARDGUKBJJCSBK-GOSISDBHSA-N 0 0 439.364 5.595 40 0 IKABRN COc1ccc2c(c1)N(C(=O)COc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000000822401 556699796 /nfs/dbraw/zinc/69/97/96/556699796.db2.gz VXRLMKVANDYPAJ-UHFFFAOYSA-N 0 0 447.578 6.014 40 0 IKABRN CCOC(=O)c1c(N2CCCCC2)nc2ccc(Br)cc2c1-c1ccccc1 ZINC000019118805 556700590 /nfs/dbraw/zinc/70/05/90/556700590.db2.gz AUPBYWHPCJDXLY-UHFFFAOYSA-N 0 0 439.353 5.831 40 0 IKABRN Cc1nc2c(cccc2C(F)(F)F)nc1-c1ccc(-c2ccccc2S(C)(=O)=O)cc1 ZINC000049112362 556703820 /nfs/dbraw/zinc/70/38/20/556703820.db2.gz XRKIRPKDPBHBRD-UHFFFAOYSA-N 0 0 442.462 5.695 40 0 IKABRN Cc1ncsc1-c1nnc([C@@H]2CCCCN2C(=O)CCCOc2ccc(C)cc2C)o1 ZINC000019132817 556704616 /nfs/dbraw/zinc/70/46/16/556704616.db2.gz WVVKOFCUHRHUPY-SFHVURJKSA-N 0 0 440.569 5.031 40 0 IKABRN Cc1ccc(OCCCC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2C)c(C)c1 ZINC000019132808 556704645 /nfs/dbraw/zinc/70/46/45/556704645.db2.gz CFXHGPLFVHJEEG-QHCPKHFHSA-N 0 0 432.568 5.310 40 0 IKABRN Brc1ccc(Cc2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 ZINC000073638785 556706055 /nfs/dbraw/zinc/70/60/55/556706055.db2.gz JADSJMAFTUWSQC-UHFFFAOYSA-N 0 0 443.138 6.611 40 0 IKABRN CCc1c2oc(Cc3ccc(Cl)cc3)nc2c(Br)c(N)c1Br ZINC000073642765 556706780 /nfs/dbraw/zinc/70/67/80/556706780.db2.gz NKEMWYKLZZAKDA-UHFFFAOYSA-N 0 0 444.554 5.742 40 0 IKABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000013661067 556708486 /nfs/dbraw/zinc/70/84/86/556708486.db2.gz SBXXZWYDZDXGMP-ZNZIZOMTSA-N 0 0 434.495 5.199 40 0 IKABRN CCOC(=O)C1=C(c2ccccc2)NC(SCc2cccc(F)c2)=N[C@H]1c1ccccc1 ZINC000408991621 556708663 /nfs/dbraw/zinc/70/86/63/556708663.db2.gz QSOVAZUKCNXOAW-QHCPKHFHSA-N 0 0 446.547 5.734 40 0 IKABRN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1OCc1ccccc1 ZINC000408994318 556709481 /nfs/dbraw/zinc/70/94/81/556709481.db2.gz YKZRQDYHNKBCII-UHFFFAOYSA-N 0 0 446.572 6.311 40 0 IKABRN COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCCCC4)C=C3C)nc2c1 ZINC000072320949 556709891 /nfs/dbraw/zinc/70/98/91/556709891.db2.gz MPGFIPWDOFNQQX-FUDKSRODSA-N 0 0 437.628 5.665 40 0 biogenic,in-vitro IKABRN Cc1cccc(Cn2cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c3ccccc32)c1 ZINC000409002112 556712039 /nfs/dbraw/zinc/71/20/39/556712039.db2.gz SNCUGCKGJKMBCT-WGARJPEWSA-N 0 0 449.579 5.385 40 0 IKABRN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCC[C@]2(CCC(=O)N2)[C@H]1c1ccc(F)cc1 ZINC000019218024 556713150 /nfs/dbraw/zinc/71/31/50/556713150.db2.gz PQKKRTOUMUNFJI-RSXGOPAZSA-N 0 0 434.511 5.123 40 0 IKABRN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)o1 ZINC000409004954 556713566 /nfs/dbraw/zinc/71/35/66/556713566.db2.gz CNBRJIFEBMQKEA-SLEUVZQESA-N 0 0 444.384 5.303 40 0 IKABRN O=C1S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1CCc1ccccc1 ZINC000409006995 556713776 /nfs/dbraw/zinc/71/37/76/556713776.db2.gz MLSOODOZJUUTPH-KQWNVCNZSA-N 0 0 433.504 5.684 40 0 IKABRN CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C(=O)O2)cc1 ZINC000409009217 556714013 /nfs/dbraw/zinc/71/40/13/556714013.db2.gz ZUEQGCHTTLWFCL-KQWNVCNZSA-N 0 0 443.499 5.408 40 0 IKABRN Cc1cccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(Cl)cc3Cl)o2)c1 ZINC000409007993 556714057 /nfs/dbraw/zinc/71/40/57/556714057.db2.gz UBCYTTBNHUNZBO-LBPRGKRZSA-N 0 0 438.336 5.556 40 0 IKABRN Cc1nccn1C[C@H](C)C(=O)N1CCC[C@@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000019220112 556714505 /nfs/dbraw/zinc/71/45/05/556714505.db2.gz OCZILPKVJXUIBB-SIKLNZKXSA-N 0 0 441.579 5.086 40 0 IKABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@H](C)n4cccn4)C3)c(-c3ccncc3)c2c1 ZINC000019220170 556714690 /nfs/dbraw/zinc/71/46/90/556714690.db2.gz XKPNINLRIRRADH-PZJWPPBQSA-N 0 0 427.552 5.092 40 0 IKABRN Cc1ccc2oc(C(=O)N3CCC(c4nc5cnccn5c4NC(C)(C)C)CC3)cc2c1 ZINC000019221285 556715408 /nfs/dbraw/zinc/71/54/08/556715408.db2.gz IGRWLIMGMPEBMG-UHFFFAOYSA-N 0 0 431.540 5.014 40 0 IKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1Cl ZINC000409011505 556715484 /nfs/dbraw/zinc/71/54/84/556715484.db2.gz GVCVLOSOCAKLRD-AKGOGDBKSA-N 0 0 445.968 5.941 40 0 IKABRN Cc1ccc2c(CC(=O)N3CCC[C@H]3c3nnc(-c4nccc5ccccc54)o3)coc2c1 ZINC000019221618 556715769 /nfs/dbraw/zinc/71/57/69/556715769.db2.gz BJGJJEHZHJPQLF-NRFANRHFSA-N 0 0 438.487 5.246 40 0 IKABRN Cc1ccc2cc(C(=O)N3CCC[C@H](c4cc5nc(C(F)(F)F)ccc5[nH]4)C3)[nH]c2c1 ZINC000019221775 556715782 /nfs/dbraw/zinc/71/57/82/556715782.db2.gz BVVJUVDOTUCPSC-HNNXBMFYSA-N 0 0 426.442 5.391 40 0 IKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409013167 556716378 /nfs/dbraw/zinc/71/63/78/556716378.db2.gz LVHXVCSMMGBVCJ-JFENUBAZSA-N 0 0 436.360 6.407 40 0 IKABRN CCOc1ccc2nc(NC(=O)CCC(=O)OCC[C@@H](C)CCC=C(C)C)sc2c1 ZINC000008781088 556719198 /nfs/dbraw/zinc/71/91/98/556719198.db2.gz TUHHOBXJBIUBFT-KRWDZBQOSA-N 0 0 432.586 5.730 40 0 IKABRN COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000000842766 556719819 /nfs/dbraw/zinc/71/98/19/556719819.db2.gz MKBPZRQBGGTNQS-WQRHYEAKSA-N 0 0 439.920 5.642 40 0 IKABRN O=C(Nc1ccccc1)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1 ZINC000000842023 556719830 /nfs/dbraw/zinc/71/98/30/556719830.db2.gz LYFJTNDIUWCUNA-XQOSCOKLSA-N 0 0 444.534 5.787 40 0 IKABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O ZINC000409016191 556719960 /nfs/dbraw/zinc/71/99/60/556719960.db2.gz UYMKJPVSLZHQLY-JSJZUPIVSA-N 0 0 440.304 5.241 40 0 IKABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O ZINC000409016194 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/nfs/dbraw/zinc/79/53/64/556795364.db2.gz QEDTYRDWXYIKBL-UHFFFAOYSA-N 0 0 440.399 7.096 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409098057 556795383 /nfs/dbraw/zinc/79/53/83/556795383.db2.gz JYWJQNTZICNXCR-WOJGMQOQSA-N 0 0 435.904 5.513 40 0 IKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)c1 ZINC000409099025 556795412 /nfs/dbraw/zinc/79/54/12/556795412.db2.gz RPZDYHUPAHVOAG-UHFFFAOYSA-N 0 0 442.588 5.899 40 0 IKABRN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)N[C@@H](c1cccnc1OC)C2 ZINC000019550789 556795410 /nfs/dbraw/zinc/79/54/10/556795410.db2.gz DWBBZFWLKIDXHT-DENIHFKCSA-N 0 0 445.346 5.391 40 0 IKABRN CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)C1=O ZINC000409098583 556795623 /nfs/dbraw/zinc/79/56/23/556795623.db2.gz QSUWSXYSMNYCEZ-WOJGMQOQSA-N 0 0 432.339 5.393 40 0 IKABRN CCc1ccc(C2=NN(C(=O)c3ccc(-c4ccccc4)cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409102366 556795860 /nfs/dbraw/zinc/79/58/60/556795860.db2.gz SHPYKVREGLOKMN-XMMPIXPASA-N 0 0 438.449 5.417 40 0 IKABRN O=C1Nc2ccccc2S/C1=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000409102419 556795870 /nfs/dbraw/zinc/79/58/70/556795870.db2.gz ZMLBUYHCCURHSD-MTJSOVHGSA-N 0 0 428.340 6.658 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2)cc1 ZINC000409102390 556795903 /nfs/dbraw/zinc/79/59/03/556795903.db2.gz SKQCGLCTVIUBNM-UHFFFAOYSA-N 0 0 448.979 5.881 40 0 IKABRN COc1ccc(C)cc1NC(=O)CSc1nc(C(C)C)nc2sc3c(c21)CCCC3 ZINC000001378853 556795944 /nfs/dbraw/zinc/79/59/44/556795944.db2.gz XQEXCKCJFVHRLY-UHFFFAOYSA-N 0 0 441.622 5.741 40 0 IKABRN Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccccc1Cl ZINC000001379009 556795961 /nfs/dbraw/zinc/79/59/61/556795961.db2.gz AJEQAEVMCLAXPQ-UHFFFAOYSA-N 0 0 427.957 5.907 40 0 IKABRN CCc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409102798 556796109 /nfs/dbraw/zinc/79/61/09/556796109.db2.gz UEDHQTOJSSQWMJ-UHFFFAOYSA-N 0 0 440.399 7.096 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000409103093 556796210 /nfs/dbraw/zinc/79/62/10/556796210.db2.gz AKLCMLBIZPBEFC-UHFFFAOYSA-N 0 0 442.588 5.460 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccc(F)c(Cl)c1 ZINC000001380049 556796178 /nfs/dbraw/zinc/79/61/78/556796178.db2.gz FBIMSUCQHAGCPA-FQEVSTJZSA-N 0 0 446.931 5.581 40 0 IKABRN Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1C ZINC000001380135 556796326 /nfs/dbraw/zinc/79/63/26/556796326.db2.gz IDKKJGVQKALVJW-DEOSSOPVSA-N 0 0 434.511 5.482 40 0 IKABRN Cc1cc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1 ZINC000001380092 556796347 /nfs/dbraw/zinc/79/63/47/556796347.db2.gz HCPUYLJJGLWRJE-HSZRJFAPSA-N 0 0 436.577 5.713 40 0 IKABRN Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1F ZINC000001380115 556796356 /nfs/dbraw/zinc/79/63/56/556796356.db2.gz JUMGVDQCEMYCFI-QHCPKHFHSA-N 0 0 438.474 5.313 40 0 IKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000409100156 556796343 /nfs/dbraw/zinc/79/63/43/556796343.db2.gz VEEFRMPKJGYBIK-BGYRXZFFSA-N 0 0 434.609 5.048 40 0 IKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000409100159 556796348 /nfs/dbraw/zinc/79/63/48/556796348.db2.gz VEEFRMPKJGYBIK-PMACEKPBSA-N 0 0 434.609 5.048 40 0 IKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)cc1 ZINC000001380183 556796376 /nfs/dbraw/zinc/79/63/76/556796376.db2.gz PDXOSXMIIAHIMA-XMMPIXPASA-N 0 0 434.511 5.482 40 0 IKABRN Cc1cc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1 ZINC000001380091 556796383 /nfs/dbraw/zinc/79/63/83/556796383.db2.gz HCPUYLJJGLWRJE-QHCPKHFHSA-N 0 0 436.577 5.713 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000001380111 556796412 /nfs/dbraw/zinc/79/64/12/556796412.db2.gz SDNWTCAAWVRIDM-QFIPXVFZSA-N 0 0 440.902 5.519 40 0 IKABRN COc1ccc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c(OC)c1OC ZINC000019552775 556796528 /nfs/dbraw/zinc/79/65/28/556796528.db2.gz PWNMYQPVBJLJHS-GOSISDBHSA-N 0 0 428.554 5.546 40 0 IKABRN CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2Cc2ccccc2F)cc1 ZINC000001381420 556796886 /nfs/dbraw/zinc/79/68/86/556796886.db2.gz OCSWJXSPTYBQNT-UHFFFAOYSA-N 0 0 433.508 5.157 40 0 IKABRN CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000409101237 556797027 /nfs/dbraw/zinc/79/70/27/556797027.db2.gz SFSLWQDKBRGROM-ODLFYWEKSA-N 0 0 444.940 5.031 40 0 IKABRN CC[C@@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)Nc1ccccc1 ZINC000001441878 556797142 /nfs/dbraw/zinc/79/71/42/556797142.db2.gz LCHKXPXWDLBGEY-QGUKFAFCSA-N 0 0 445.902 5.261 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1ccco1)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000001382775 556797221 /nfs/dbraw/zinc/79/72/21/556797221.db2.gz JATQTDLTOPJAAL-FQEVSTJZSA-N 0 0 446.425 5.338 40 0 IKABRN C[C@@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc43)OC(=O)[C@@]21C(=O)c1ccccc1 ZINC000001441075 556797296 /nfs/dbraw/zinc/79/72/96/556797296.db2.gz GTNLCMPDTPMAER-GHPJVDHGSA-N 0 0 432.475 5.615 40 0 IKABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1 ZINC000409104053 556797452 /nfs/dbraw/zinc/79/74/52/556797452.db2.gz IHVKUGUZFQVGCB-KGENOOAVSA-N 0 0 448.500 5.020 40 0 IKABRN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc32)cc1 ZINC000002074103 556798411 /nfs/dbraw/zinc/79/84/11/556798411.db2.gz VPQCNVWSTZNNRE-UHFFFAOYSA-N 0 0 449.963 6.080 40 0 IKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccc(C)cc2)cc1 ZINC000409107441 556798516 /nfs/dbraw/zinc/79/85/16/556798516.db2.gz PVMCJNKOXVPCOT-UHFFFAOYSA-N 0 0 445.588 5.736 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccccc2)cc1C ZINC000409107423 556798551 /nfs/dbraw/zinc/79/85/51/556798551.db2.gz RUURBNPALXLOPB-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN O=C(c1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc4ccccc4c3)c12 ZINC000005415069 556798724 /nfs/dbraw/zinc/79/87/24/556798724.db2.gz YIUYUSKBAYEBHI-FDDCHVKYSA-N 0 0 438.502 5.067 40 0 biogenic,in-vitro IKABRN CCOc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2ccccc2)cc1 ZINC000409106439 556799213 /nfs/dbraw/zinc/79/92/13/556799213.db2.gz RUQMIJNTUWNOIX-UHFFFAOYSA-N 0 0 431.561 5.813 40 0 IKABRN CCOc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 ZINC000409106466 556799278 /nfs/dbraw/zinc/79/92/78/556799278.db2.gz NMQRAVXRWHFPBZ-UHFFFAOYSA-N 0 0 449.963 5.961 40 0 IKABRN CCOc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000409110958 556799982 /nfs/dbraw/zinc/79/99/82/556799982.db2.gz HONZAARYXCMECJ-UHFFFAOYSA-N 0 0 430.317 6.178 40 0 IKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000409110086 556800183 /nfs/dbraw/zinc/80/01/83/556800183.db2.gz QZSXBXRUDZJNPM-UHFFFAOYSA-N 0 0 447.962 7.092 40 0 IKABRN CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C(=O)NC2CCCCC2)c1C ZINC000409109964 556800201 /nfs/dbraw/zinc/80/02/01/556800201.db2.gz ORFLKKFJJLDIPY-UHFFFAOYSA-N 0 0 448.972 5.201 40 0 IKABRN COc1cc(CNc2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409110169 556800275 /nfs/dbraw/zinc/80/02/75/556800275.db2.gz SVSUYFDCAWJDHS-UHFFFAOYSA-N 0 0 431.941 5.345 40 0 IKABRN CCc1cccc(C)c1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000409109981 556800277 /nfs/dbraw/zinc/80/02/77/556800277.db2.gz OYBMHKQZNBYADN-UHFFFAOYSA-N 0 0 436.577 5.008 40 0 IKABRN COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(F)c1 ZINC000409110422 556800516 /nfs/dbraw/zinc/80/05/16/556800516.db2.gz BWEIBASWLVICNM-UHFFFAOYSA-N 0 0 444.344 6.405 40 0 IKABRN Fc1ccc(COc2ccc(Cl)cc2CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409110361 556800546 /nfs/dbraw/zinc/80/05/46/556800546.db2.gz VEOLRGSCZZVMLG-UHFFFAOYSA-N 0 0 433.910 7.463 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccncc2)c1 ZINC000409108973 556801185 /nfs/dbraw/zinc/80/11/85/556801185.db2.gz ZAWBHROMXUDBJL-UHFFFAOYSA-N 0 0 443.576 5.294 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)cc1 ZINC000409111537 556801262 /nfs/dbraw/zinc/80/12/62/556801262.db2.gz AWJNYJLBYZPDRL-UHFFFAOYSA-N 0 0 430.529 5.226 40 0 IKABRN CCc1ccccc1NCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000409111145 556801515 /nfs/dbraw/zinc/80/15/15/556801515.db2.gz BWJSEOQYLZHEIT-UHFFFAOYSA-N 0 0 444.344 6.350 40 0 IKABRN CCc1sc2nc(SCc3cccc(Cl)c3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409111592 556801831 /nfs/dbraw/zinc/80/18/31/556801831.db2.gz DJZVCDSFOPGKRL-UHFFFAOYSA-N 0 0 441.021 6.572 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=S)N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)cc3)sc2c1 ZINC000002643126 556801917 /nfs/dbraw/zinc/80/19/17/556801917.db2.gz ZTPBCHLRBHJYTD-DFBJGRDBSA-N 0 0 435.662 6.869 40 0 IKABRN COc1ccc(CC(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cc1OC ZINC000019560482 556802025 /nfs/dbraw/zinc/80/20/25/556802025.db2.gz UJSQOQDBCVAIQJ-OAQYLSRUSA-N 0 0 438.499 5.184 40 0 IKABRN CCCc1sc2nc(SCc3ccccc3F)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000409112119 556802286 /nfs/dbraw/zinc/80/22/86/556802286.db2.gz KGBLMATWXQYMFO-UHFFFAOYSA-N 0 0 438.593 6.448 40 0 IKABRN Cc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000409111758 556802326 /nfs/dbraw/zinc/80/23/26/556802326.db2.gz DVIMWRUGPIDPKU-UHFFFAOYSA-N 0 0 429.947 7.632 40 0 IKABRN CCc1ccccc1NCc1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000409112502 556802472 /nfs/dbraw/zinc/80/24/72/556802472.db2.gz DCFKKBWIPZDOIL-UHFFFAOYSA-N 0 0 446.388 7.356 40 0 IKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(I)c1OCC ZINC000409112430 556802475 /nfs/dbraw/zinc/80/24/75/556802475.db2.gz CQOAWFLLXSXFEH-UHFFFAOYSA-N 0 0 425.310 5.318 40 0 IKABRN COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409112349 556802643 /nfs/dbraw/zinc/80/26/43/556802643.db2.gz CFDRNKZKLFBLKD-UCQKPKSFSA-N 0 0 447.962 6.471 40 0 IKABRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409112740 556803036 /nfs/dbraw/zinc/80/30/36/556803036.db2.gz CKXYVOMFOHABSF-UHFFFAOYSA-N 0 0 436.766 7.155 40 0 IKABRN CCCc1sc2nc(SCCc3ccccc3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C ZINC000409112179 556803151 /nfs/dbraw/zinc/80/31/51/556803151.db2.gz BSEHMINDLQLYCX-UHFFFAOYSA-N 0 0 448.657 6.660 40 0 IKABRN Cc1ccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc32)cc1 ZINC000409112266 556803279 /nfs/dbraw/zinc/80/32/79/556803279.db2.gz KYGNXMDOOBOEAG-UHFFFAOYSA-N 0 0 432.361 7.102 40 0 IKABRN 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O=C(Nc1ccc2ccccc2c1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408980037 556908742 /nfs/dbraw/zinc/90/87/42/556908742.db2.gz TWICHIMCCKNYTK-UHFFFAOYSA-N 0 0 431.451 6.555 40 0 IKABRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(C2CCCCC2)cc1 ZINC000408979507 556908755 /nfs/dbraw/zinc/90/87/55/556908755.db2.gz MNGNIFKAXSIORL-SANMLTNESA-N 0 0 426.560 6.234 40 0 IKABRN O=C(NCCC1=CCCCC1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408980058 556908780 /nfs/dbraw/zinc/90/87/80/556908780.db2.gz UEIBSINZDHONIO-UHFFFAOYSA-N 0 0 426.524 5.632 40 0 IKABRN Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)CCc4ccccc4)CC3)c12 ZINC000072336012 556909098 /nfs/dbraw/zinc/90/90/98/556909098.db2.gz VRRTYPMRPQTSHX-UHFFFAOYSA-N 0 0 446.595 5.166 40 0 IKABRN Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(C(=O)c4cccs4)CC3)c12 ZINC000072335995 556909111 /nfs/dbraw/zinc/90/91/11/556909111.db2.gz PEOSIBIZAJMMMC-UHFFFAOYSA-N 0 0 438.597 5.298 40 0 IKABRN Cc1nc([C@H]2CCCCN2Cc2cccc(-c3ccccc3F)c2)ncc1C(=O)N(C)C ZINC000019765598 556910367 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435.343 5.113 40 0 IKABRN Cc1cc2nc(C3CCN(C(=O)c4cc5c(s4)CCCC5)CC3)cc(C(F)(F)F)n2n1 ZINC000072340857 556912909 /nfs/dbraw/zinc/91/29/09/556912909.db2.gz IHGYSQVTWLXJEE-UHFFFAOYSA-N 0 0 448.514 5.017 40 0 IKABRN CC(C)(C)c1cc2nc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)cc(C(F)(F)F)n2n1 ZINC000072341091 556913408 /nfs/dbraw/zinc/91/34/08/556913408.db2.gz DIMZKUNJWVMYLH-OAHLLOKOSA-N 0 0 448.464 5.205 40 0 IKABRN CC(C)(C)c1cc2nc([C@@H]3CCCN(C(=O)c4cccs4)C3)cc(C(F)(F)F)n2n1 ZINC000072341099 556913460 /nfs/dbraw/zinc/91/34/60/556913460.db2.gz USCVCUPCKJRANK-CYBMUJFWSA-N 0 0 436.503 5.127 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 ZINC000408998582 556913554 /nfs/dbraw/zinc/91/35/54/556913554.db2.gz MILGJWGKOLGBSG-QHCPKHFHSA-N 0 0 447.922 5.468 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C ZINC000409002470 556914857 /nfs/dbraw/zinc/91/48/57/556914857.db2.gz NQCZSDPCPQRUDV-DEOSSOPVSA-N 0 0 434.967 5.560 40 0 IKABRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3ccc(C)cc3)cc2)C(=O)O1 ZINC000409002778 556915102 /nfs/dbraw/zinc/91/51/02/556915102.db2.gz AHTRSHWYJPHARR-BKUYFWCQSA-N 0 0 447.874 5.221 40 0 IKABRN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)o1 ZINC000409004951 556915309 /nfs/dbraw/zinc/91/53/09/556915309.db2.gz CNBRJIFEBMQKEA-HUBLWGQQSA-N 0 0 444.384 5.303 40 0 IKABRN O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)Nc1ccc2ccccc2c1 ZINC000409004949 556915324 /nfs/dbraw/zinc/91/53/24/556915324.db2.gz CMUCQKOMADKUBD-UHFFFAOYSA-N 0 0 441.512 5.686 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 ZINC000409006366 556916118 /nfs/dbraw/zinc/91/61/18/556916118.db2.gz JDBBCFSWWCOJJE-UHFFFAOYSA-N 0 0 439.924 5.494 40 0 IKABRN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccccc2F)o1 ZINC000409005943 556916131 /nfs/dbraw/zinc/91/61/31/556916131.db2.gz HKFVLBPZDLEQIZ-JTQLQIEISA-N 0 0 442.299 5.386 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1 ZINC000409006769 556916266 /nfs/dbraw/zinc/91/62/66/556916266.db2.gz LKMFWUFNDZRLNO-GFCCVEGCSA-N 0 0 438.336 5.556 40 0 IKABRN CNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CCC2CCCC2)CC1 ZINC000072345058 556916608 /nfs/dbraw/zinc/91/66/08/556916608.db2.gz XLAAUOOYXDABHM-UHFFFAOYSA-N 0 0 438.637 5.283 40 0 IKABRN Cc1ccccc1NC(=O)CSc1nnc([C@H](C)Oc2ccc(Cl)cc2Cl)o1 ZINC000409008032 556916707 /nfs/dbraw/zinc/91/67/07/556916707.db2.gz UVRADWLNZCLQNB-LBPRGKRZSA-N 0 0 438.336 5.556 40 0 IKABRN CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)CC2CCCCC2)CC1 ZINC000072345243 556916823 /nfs/dbraw/zinc/91/68/23/556916823.db2.gz YOEBUENLQVDTDA-UHFFFAOYSA-N 0 0 447.623 5.006 40 0 IKABRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000409003695 556916928 /nfs/dbraw/zinc/91/69/28/556916928.db2.gz UGUFUETXMSDKNU-NRFANRHFSA-N 0 0 431.573 5.400 40 0 IKABRN Cc1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000409010638 556917888 /nfs/dbraw/zinc/91/78/88/556917888.db2.gz CRHVXEFXTCMEHD-KOEQRZSOSA-N 0 0 434.495 5.825 40 0 IKABRN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1C ZINC000409012941 556918908 /nfs/dbraw/zinc/91/89/08/556918908.db2.gz JHDRKMAQDLPTTN-UHFFFAOYSA-N 0 0 439.581 5.416 40 0 IKABRN Cc1sc2nc(C(C)C)n([C@@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)c(=O)c2c1C ZINC000072347718 556919017 /nfs/dbraw/zinc/91/90/17/556919017.db2.gz UEPOJFLNFYGHMD-HXUWFJFHSA-N 0 0 449.620 5.094 40 0 IKABRN O=C1N/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000409008698 556919106 /nfs/dbraw/zinc/91/91/06/556919106.db2.gz AFQYTDLHLSUVHX-ZDLGFXPLSA-N 0 0 431.250 5.485 40 0 IKABRN O=C(c1cc(C2CC2)nc2ccccc21)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000072347878 556919254 /nfs/dbraw/zinc/91/92/54/556919254.db2.gz BWVGOIQUWPBTPY-UHFFFAOYSA-N 0 0 447.922 5.151 40 0 IKABRN COc1ccc(CCCc2nnc(SCC(=O)Nc3cccc4ccccc43)o2)cc1C ZINC000409017610 556919328 /nfs/dbraw/zinc/91/93/28/556919328.db2.gz SJZPZBYWWKKYIN-UHFFFAOYSA-N 0 0 447.560 5.446 40 0 IKABRN O=C(c1cccnc1)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349133 556919534 /nfs/dbraw/zinc/91/95/34/556919534.db2.gz SGNVZSVXZRVERU-IBGZPJMESA-N 0 0 425.454 5.106 40 0 IKABRN O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349456 556919562 /nfs/dbraw/zinc/91/95/62/556919562.db2.gz RDJVVZVVDSMEDB-HXUWFJFHSA-N 0 0 439.481 5.035 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1cccc(F)c1 ZINC000409017770 556919595 /nfs/dbraw/zinc/91/95/95/556919595.db2.gz VUNATUKUEHHFOA-NWGMWSOJSA-N 0 0 429.513 5.638 40 0 IKABRN O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349457 556919704 /nfs/dbraw/zinc/91/97/04/556919704.db2.gz RDJVVZVVDSMEDB-FQEVSTJZSA-N 0 0 439.481 5.035 40 0 IKABRN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)nnc2c(-c3cccc4ccccc43)cnn21 ZINC000019817191 556919921 /nfs/dbraw/zinc/91/99/21/556919921.db2.gz JWLWWCUXLGVCRE-UHFFFAOYSA-N 0 0 447.420 5.524 40 0 IKABRN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000019817007 556919952 /nfs/dbraw/zinc/91/99/52/556919952.db2.gz ZBQQWZGKVZDZAC-UHFFFAOYSA-N 0 0 431.805 5.024 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cc1 ZINC000072349881 556919930 /nfs/dbraw/zinc/91/99/30/556919930.db2.gz RHIVHRMVJMCMMQ-OAQYLSRUSA-N 0 0 447.966 5.304 40 0 IKABRN Cc1nc(CC(=O)N2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cs1 ZINC000072350056 556919945 /nfs/dbraw/zinc/91/99/45/556919945.db2.gz SYBZYNCMPMVDKX-KRWDZBQOSA-N 0 0 445.510 5.481 40 0 IKABRN C[C@H]1Cc2c(c(Nc3cccc(C(F)(F)F)c3)nn2-c2nc3ccccc3s2)C(=O)C1 ZINC000019817259 556920017 /nfs/dbraw/zinc/92/00/17/556920017.db2.gz KENCCSWHEDEVDD-LBPRGKRZSA-N 0 0 442.466 6.009 40 0 IKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000409018652 556920056 /nfs/dbraw/zinc/92/00/56/556920056.db2.gz NYDDMCMZDOZSOT-UHFFFAOYSA-N 0 0 446.161 5.791 40 0 IKABRN CCn1ccnc1CN1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072350306 556920413 /nfs/dbraw/zinc/92/04/13/556920413.db2.gz ZIVXLVGPKKMXNP-IBGZPJMESA-N 0 0 428.502 5.287 40 0 IKABRN Cc1nc(C(=O)N2CCC(c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)CC2)co1 ZINC000072350470 556920708 /nfs/dbraw/zinc/92/07/08/556920708.db2.gz UBHROYPJQXIFBG-UHFFFAOYSA-N 0 0 429.442 5.007 40 0 IKABRN CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000409016807 556921687 /nfs/dbraw/zinc/92/16/87/556921687.db2.gz VVDXKYNKEWPWGM-MDBUFAAASA-N 0 0 436.360 6.407 40 0 IKABRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O ZINC000409016927 556921723 /nfs/dbraw/zinc/92/17/23/556921723.db2.gz UITLHNPUYOHFPU-SLDJAQPHSA-N 0 0 445.968 6.071 40 0 IKABRN CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1C ZINC000409022157 556922769 /nfs/dbraw/zinc/92/27/69/556922769.db2.gz GWVWSTPJRVMKON-LICLKQGHSA-N 0 0 446.594 5.394 40 0 IKABRN O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(Cl)c1)CN(Cc1ccccc1)CC3 ZINC000019819703 556923137 /nfs/dbraw/zinc/92/31/37/556923137.db2.gz FCSORYVQTDAWJP-UHFFFAOYSA-N 0 0 439.993 5.321 40 0 IKABRN O=c1cc(CSc2ccc(Cl)cc2)nc(Nc2nc(-c3ccccc3)cs2)[nH]1 ZINC000019819610 556923144 /nfs/dbraw/zinc/92/31/44/556923144.db2.gz LBNNFXUATHZEHR-UHFFFAOYSA-N 0 0 426.954 5.583 40 0 IKABRN CCOc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CN(Cc2ccccc2)CC4)cc1 ZINC000019819697 556923158 /nfs/dbraw/zinc/92/31/58/556923158.db2.gz FXPJCVLSBZPJPE-UHFFFAOYSA-N 0 0 449.601 5.067 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Br)c1OCC ZINC000409019580 556924033 /nfs/dbraw/zinc/92/40/33/556924033.db2.gz JUXVNPSIKIPAIS-KBVGCWLLSA-N 0 0 428.348 5.081 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Br)c1OCC ZINC000409019578 556924050 /nfs/dbraw/zinc/92/40/50/556924050.db2.gz JUXVNPSIKIPAIS-HGLKBHAMSA-N 0 0 428.348 5.081 40 0 IKABRN CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)N(Cc2ccccn2)C2CCCC2)C1 ZINC000072352619 556924851 /nfs/dbraw/zinc/92/48/51/556924851.db2.gz BOAMVBLIJRGYSE-LJQANCHMSA-N 0 0 447.604 5.217 40 0 IKABRN CCc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409024666 556925398 /nfs/dbraw/zinc/92/53/98/556925398.db2.gz MQLUXMOQWPOHOI-UHFFFAOYSA-N 0 0 436.577 5.206 40 0 IKABRN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCC[C@H]1c1ccc(Nc2cnccn2)cn1 ZINC000072353137 556925766 /nfs/dbraw/zinc/92/57/66/556925766.db2.gz QEZPXTFGJBXNCT-NRFANRHFSA-N 0 0 427.508 5.264 40 0 IKABRN Cc1cccnc1Nc1ccc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)nc1 ZINC000072353142 556925768 /nfs/dbraw/zinc/92/57/68/556925768.db2.gz XCUFBAICIAQFRS-DEOSSOPVSA-N 0 0 425.536 5.306 40 0 IKABRN COc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1 ZINC000072353247 556926064 /nfs/dbraw/zinc/92/60/64/556926064.db2.gz DBSLCNJEYVIYDA-HSZRJFAPSA-N 0 0 430.552 5.179 40 0 IKABRN CCc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000409026692 556926201 /nfs/dbraw/zinc/92/62/01/556926201.db2.gz VHJCKURTQJQJOF-UHFFFAOYSA-N 0 0 442.968 5.045 40 0 IKABRN Cc1oc2c(c1C(=O)N1CCC[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C1)CCCC2 ZINC000072353369 556926327 /nfs/dbraw/zinc/92/63/27/556926327.db2.gz YETVFMOTAHHGPJ-IBGZPJMESA-N 0 0 445.567 5.032 40 0 IKABRN Cc1nc2ccc(C(=O)N3CCC[C@H](c4ccc(Nc5ncccc5C)cn4)C3)cc2s1 ZINC000072353375 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Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)c1 ZINC000409173280 556988229 /nfs/dbraw/zinc/98/82/29/556988229.db2.gz IDAVORCCLXPNCY-UHFFFAOYSA-N 0 0 442.560 5.004 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)cc1Cl ZINC000409173623 556988235 /nfs/dbraw/zinc/98/82/35/556988235.db2.gz MSUSGNWPTJTDAC-UHFFFAOYSA-N 0 0 428.941 5.021 40 0 IKABRN O=C(Oc1cccc2ccccc21)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409180368 556988940 /nfs/dbraw/zinc/98/89/40/556988940.db2.gz RBSQRHQGPKKHNH-UHFFFAOYSA-N 0 0 433.301 6.401 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000409174436 556988957 /nfs/dbraw/zinc/98/89/57/556988957.db2.gz TZZPVGPCTJHSAA-OVCLIPMQSA-N 0 0 426.925 5.101 40 0 IKABRN CC[C@@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)C(=O)c1ccccc1 ZINC000409180300 556988961 /nfs/dbraw/zinc/98/89/61/556988961.db2.gz WBLZSUBZUCTOJA-XMMPIXPASA-N 0 0 429.903 6.374 40 0 IKABRN Cc1ccc(N2C(=O)c3ccc(C(=O)OC(c4ccccc4)c4ccccc4)cc3C2=O)cc1 ZINC000409180702 556989150 /nfs/dbraw/zinc/98/91/50/556989150.db2.gz UMEZNMIBCHLHHQ-UHFFFAOYSA-N 0 0 447.490 5.742 40 0 IKABRN COc1cc(CNc2ccccc2Cl)cc(Br)c1OCc1ccccc1 ZINC000409180607 556989177 /nfs/dbraw/zinc/98/91/77/556989177.db2.gz XZXLBOJTRXRVPT-UHFFFAOYSA-N 0 0 432.745 6.302 40 0 IKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000020139573 556989242 /nfs/dbraw/zinc/98/92/42/556989242.db2.gz UWYXFFSRNSLMBA-UHFFFAOYSA-N 0 0 448.327 6.221 40 0 IKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020140274 556989400 /nfs/dbraw/zinc/98/94/00/556989400.db2.gz OUCQZYGHSUAWNF-UHFFFAOYSA-N 0 0 441.405 6.278 40 0 IKABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020140271 556989475 /nfs/dbraw/zinc/98/94/75/556989475.db2.gz CMZJPXJTWSZMBI-UHFFFAOYSA-N 0 0 427.378 5.970 40 0 IKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000020140228 556989507 /nfs/dbraw/zinc/98/95/07/556989507.db2.gz NCZREIMNWSTVCO-UHFFFAOYSA-N 0 0 428.271 6.258 40 0 IKABRN Clc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409181616 556989627 /nfs/dbraw/zinc/98/96/27/556989627.db2.gz DUAUNUFZJPCBFB-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Br)c4cccnc34)cc2)cc1 ZINC000409181320 556989663 /nfs/dbraw/zinc/98/96/63/556989663.db2.gz BBNAYWILQZKZEG-UHFFFAOYSA-N 0 0 447.332 6.137 40 0 IKABRN COc1cc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)ccc1-c1ccc(CO)o1 ZINC000020140353 556989717 /nfs/dbraw/zinc/98/97/17/556989717.db2.gz ZPYFBDBDCSXPSE-UHFFFAOYSA-N 0 0 437.879 5.922 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc(OCC)c1OCC ZINC000020143429 556989920 /nfs/dbraw/zinc/98/99/20/556989920.db2.gz ZCQYAJDHDFUZDY-UHFFFAOYSA-N 0 0 439.508 5.196 40 0 IKABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000020143655 556989926 /nfs/dbraw/zinc/98/99/26/556989926.db2.gz LICKWCDRJCNIHL-UHFFFAOYSA-N 0 0 437.451 5.465 40 0 IKABRN O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000409182753 556990007 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Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000020144808 556990339 /nfs/dbraw/zinc/99/03/39/556990339.db2.gz RYIKIBPPJJNVTO-UHFFFAOYSA-N 0 0 444.325 5.306 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020144936 556990351 /nfs/dbraw/zinc/99/03/51/556990351.db2.gz YFQWLUBJZJVUKT-UHFFFAOYSA-N 0 0 439.939 6.158 40 0 IKABRN Cc1cc(I)cc(C)c1NC(=O)CSc1cccc2ccccc21 ZINC000409183436 556990453 /nfs/dbraw/zinc/99/04/53/556990453.db2.gz RZMVMUIEQJSMLZ-UHFFFAOYSA-N 0 0 447.341 5.792 40 0 IKABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O ZINC000409184459 556990709 /nfs/dbraw/zinc/99/07/09/556990709.db2.gz YCLGNDXJVGIKFV-RSZPVBOMSA-N 0 0 438.549 5.156 40 0 IKABRN CC(=O)Oc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000409184443 556990769 /nfs/dbraw/zinc/99/07/69/556990769.db2.gz WXFBIHJRLNGBDN-UHFFFAOYSA-N 0 0 439.467 5.175 40 0 IKABRN Clc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2Br)cc1 ZINC000409190466 556991426 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Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)ccc1-c1ccc(CO)o1 ZINC000020152207 556992018 /nfs/dbraw/zinc/99/20/18/556992018.db2.gz XAXZVFJFUHPUBC-UHFFFAOYSA-N 0 0 442.540 5.541 40 0 IKABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 ZINC000020152896 556992634 /nfs/dbraw/zinc/99/26/34/556992634.db2.gz XJAQURUXRKKPPW-UHFFFAOYSA-N 0 0 444.940 5.006 40 0 IKABRN Brc1ccc(COc2ccc3ccccc3c2-c2nc3ccccc3s2)cc1 ZINC000409194567 556993394 /nfs/dbraw/zinc/99/33/94/556993394.db2.gz PRSQKUGOQRQIDI-UHFFFAOYSA-N 0 0 446.369 7.458 40 0 IKABRN Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1-c1ccccc1 ZINC000409195384 556993681 /nfs/dbraw/zinc/99/36/81/556993681.db2.gz PFYCTRXRAKZPMC-FLWNBWAVSA-N 0 0 446.575 6.829 40 0 IKABRN Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4F)cc3)C(=O)O2)cc1Cl ZINC000409195780 556993882 /nfs/dbraw/zinc/99/38/82/556993882.db2.gz KVJSYAGBAQRATP-MTJSOVHGSA-N 0 0 435.838 5.351 40 0 IKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3Cl)n2C)cc1 ZINC000409195394 556993981 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CCCCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000409239908 557021195 /nfs/dbraw/zinc/02/11/95/557021195.db2.gz OEFNSNGIZCNFKY-UHFFFAOYSA-N 0 0 442.625 5.212 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(Cl)cc2)cc1C ZINC000409210164 557021320 /nfs/dbraw/zinc/02/13/20/557021320.db2.gz FHMKKPKXPRLZIX-UHFFFAOYSA-N 0 0 441.000 5.309 40 0 IKABRN Cc1ccc(CN2C(=O)N/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C2=O)cc1 ZINC000409231170 557023015 /nfs/dbraw/zinc/02/30/15/557023015.db2.gz IKHKTIRHADZBIQ-STZFKDTASA-N 0 0 434.948 5.893 40 0 IKABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)C1=O ZINC000409231542 557023378 /nfs/dbraw/zinc/02/33/78/557023378.db2.gz LCKNTENXCANECY-DQPIFXJKSA-N 0 0 427.547 5.134 40 0 IKABRN Cc1ccc(Cn2cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)cc1 ZINC000409246490 557028165 /nfs/dbraw/zinc/02/81/65/557028165.db2.gz BXYBBNGESHQHRU-OEAKJJBVSA-N 0 0 441.918 5.749 40 0 IKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409246758 557028289 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O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccc(Cl)cc1Cl ZINC000408528614 557031347 /nfs/dbraw/zinc/03/13/47/557031347.db2.gz JZNXJIZHBQVXST-UHFFFAOYSA-N 0 0 437.282 6.462 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC000408528532 557031394 /nfs/dbraw/zinc/03/13/94/557031394.db2.gz IZOTXDCJFGCAQB-UHFFFAOYSA-N 0 0 432.863 5.817 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)N(CC)CC)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409216622 557031388 /nfs/dbraw/zinc/03/13/88/557031388.db2.gz KBVMBPHRMISMHI-UHFFFAOYSA-N 0 0 428.989 5.111 40 0 IKABRN COCCCN1C(=O)S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000409241566 557031688 /nfs/dbraw/zinc/03/16/88/557031688.db2.gz YJVQTWKULLINLL-FYJGNVAPSA-N 0 0 440.952 5.416 40 0 IKABRN COc1ccc(C(=O)Oc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)cc1OC ZINC000408530942 557032038 /nfs/dbraw/zinc/03/20/38/557032038.db2.gz SRXYXCYYSZDCSB-UHFFFAOYSA-N 0 0 428.444 5.172 40 0 IKABRN Cc1ccc(Sc2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)cc2)cc1 ZINC000408531130 557032088 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CCOc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408551516 557036378 /nfs/dbraw/zinc/03/63/78/557036378.db2.gz DJRQMSYWVUZRHE-UHFFFAOYSA-N 0 0 444.358 6.840 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408551453 557036383 /nfs/dbraw/zinc/03/63/83/557036383.db2.gz KUYNDZOZDLCMFT-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408550997 557036423 /nfs/dbraw/zinc/03/64/23/557036423.db2.gz ACFKLUPTTBADDG-UHFFFAOYSA-N 0 0 449.856 6.507 40 0 IKABRN COc1cc(C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000408552879 557036570 /nfs/dbraw/zinc/03/65/70/557036570.db2.gz LJJQUMJBEQSQOB-UHFFFAOYSA-N 0 0 440.337 5.906 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Cl)c1 ZINC000409251904 557036979 /nfs/dbraw/zinc/03/69/79/557036979.db2.gz AHKORXIVKMFBPF-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN O=C1CS[C@H](c2ccccc2OCc2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408555010 557037011 /nfs/dbraw/zinc/03/70/11/557037011.db2.gz GQZZPLRWJQMYSE-JOCHJYFZSA-N 0 0 430.356 6.351 40 0 IKABRN O=C(COc1ccc(CNc2ccccc2)cc1Br)Nc1ccccc1F ZINC000408555620 557037276 /nfs/dbraw/zinc/03/72/76/557037276.db2.gz HJZCZHDDAZRQCI-UHFFFAOYSA-N 0 0 429.289 5.218 40 0 IKABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C(C)C)C2)c(C)c1 ZINC000408556250 557037293 /nfs/dbraw/zinc/03/72/93/557037293.db2.gz ZTPGTCDYVWLUOF-OAQYLSRUSA-N 0 0 442.625 5.083 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000409252307 557037312 /nfs/dbraw/zinc/03/73/12/557037312.db2.gz DAVKRZGGZZIDCT-HHHXNRCGSA-N 0 0 444.600 6.056 40 0 IKABRN O=C1CS[C@@H](c2cn(Cc3ccccc3F)c3ccccc23)N1c1ccc(Cl)cc1 ZINC000408556611 557037509 /nfs/dbraw/zinc/03/75/09/557037509.db2.gz KTUOXCADHBEKAT-DEOSSOPVSA-N 0 0 436.939 6.261 40 0 IKABRN COc1ccccc1NC(=O)COc1ccc(CNc2ccccc2Cl)cc1Cl ZINC000408557030 557037601 /nfs/dbraw/zinc/03/76/01/557037601.db2.gz MNHVBSKDKOTWSN-UHFFFAOYSA-N 0 0 431.319 5.632 40 0 IKABRN Clc1ccc(OCc2ccccc2)c(CNc2ccc(Br)c(Cl)c2)c1 ZINC000408557180 557037669 /nfs/dbraw/zinc/03/76/69/557037669.db2.gz NIZWZWKPCPWYNI-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1NC(=O)c1ccc(C)cc1 ZINC000408557423 557037829 /nfs/dbraw/zinc/03/78/29/557037829.db2.gz MQUYILXSZCXTIS-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1OC ZINC000408557997 557037912 /nfs/dbraw/zinc/03/79/12/557037912.db2.gz RJAOFGUZAWIVGZ-UHFFFAOYSA-N 0 0 440.927 5.377 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409221413 557037928 /nfs/dbraw/zinc/03/79/28/557037928.db2.gz PXPZIRFXNQZIKU-PBSOMRJOSA-N 0 0 449.732 5.377 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2C)cc1OCC ZINC000408558429 557038231 /nfs/dbraw/zinc/03/82/31/557038231.db2.gz UOYYQNFCZHITOE-UHFFFAOYSA-N 0 0 426.738 5.851 40 0 IKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1F ZINC000408558998 557038457 /nfs/dbraw/zinc/03/84/57/557038457.db2.gz 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557039258 /nfs/dbraw/zinc/03/92/58/557039258.db2.gz BNWJLZCZIKDKKK-UHFFFAOYSA-N 0 0 436.968 5.426 40 0 IKABRN CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409266497 557039360 /nfs/dbraw/zinc/03/93/60/557039360.db2.gz XGGZJDKWPSPGFY-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000408564465 557039304 /nfs/dbraw/zinc/03/93/04/557039304.db2.gz YLXYNBZSWZTINQ-QOCHGBHMSA-N 0 0 435.774 5.702 40 0 IKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1 ZINC000408560431 557039385 /nfs/dbraw/zinc/03/93/85/557039385.db2.gz CQZDDRVERFBWMR-QOCHGBHMSA-N 0 0 435.774 5.702 40 0 IKABRN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000408560584 557039420 /nfs/dbraw/zinc/03/94/20/557039420.db2.gz LEJUPBXMLUWSLZ-UHFFFAOYSA-N 0 0 438.556 5.443 40 0 IKABRN O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408564313 557039424 /nfs/dbraw/zinc/03/94/24/557039424.db2.gz VOMPCUPSLISICD-OQKWZONESA-N 0 0 426.438 5.188 40 0 IKABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000408561031 557039740 /nfs/dbraw/zinc/03/97/40/557039740.db2.gz VTEQHYRJWPUSQJ-UHFFFAOYSA-N 0 0 430.577 5.390 40 0 IKABRN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1 ZINC000408561926 557040015 /nfs/dbraw/zinc/04/00/15/557040015.db2.gz LRJFXSCQOCBBJN-UHFFFAOYSA-N 0 0 438.474 6.600 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561794 557040033 /nfs/dbraw/zinc/04/00/33/557040033.db2.gz LJXOKCHRLBNKMI-ATJXCDBQSA-N 0 0 449.801 5.956 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562138 557040337 /nfs/dbraw/zinc/04/03/37/557040337.db2.gz NDPHOPNSZSTUGW-RWEWTDSWSA-N 0 0 447.431 6.854 40 0 IKABRN CCn1c(-c2ccc(C)c(C)c2)c(C)sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408562902 557040409 /nfs/dbraw/zinc/04/04/09/557040409.db2.gz SFLRWHZLAQTYEK-ZIADKAODSA-N 0 0 440.612 6.421 40 0 IKABRN CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(Cl)cc1 ZINC000408562641 557040445 /nfs/dbraw/zinc/04/04/45/557040445.db2.gz RCFAKVNWILZRLU-FLFQWRMESA-N 0 0 435.376 5.855 40 0 IKABRN COC(=O)c1ccc(Cl)c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000409261481 557040756 /nfs/dbraw/zinc/04/07/56/557040756.db2.gz CJLIHIXNUKELNL-QGOAFFKASA-N 0 0 426.299 5.959 40 0 IKABRN COc1ccc(CCNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408571594 557040821 /nfs/dbraw/zinc/04/08/21/557040821.db2.gz BTOPWABQBIZTEO-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN Cc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000408571768 557040939 /nfs/dbraw/zinc/04/09/39/557040939.db2.gz FQQGWYFTNKPXJV-FYWRMAATSA-N 0 0 434.499 5.949 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408572233 557041023 /nfs/dbraw/zinc/04/10/23/557041023.db2.gz FTGRVILSAXLTFL-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408572224 557041090 /nfs/dbraw/zinc/04/10/90/557041090.db2.gz FSFCZXMFTGZLCT-UHFFFAOYSA-N 0 0 430.400 6.600 40 0 IKABRN Fc1ccc(CNC(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 ZINC000408572372 557041139 /nfs/dbraw/zinc/04/11/39/557041139.db2.gz GNRHJSJDXBXPQI-UHFFFAOYSA-N 0 0 438.326 6.316 40 0 IKABRN CCc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000408573244 557041285 /nfs/dbraw/zinc/04/12/85/557041285.db2.gz JKKYHSHNINXGJG-UHFFFAOYSA-N 0 0 425.981 5.955 40 0 IKABRN COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl ZINC000408572745 557041323 /nfs/dbraw/zinc/04/13/23/557041323.db2.gz IAJWZSZNZABNSY-CQSZACIVSA-N 0 0 426.365 5.025 40 0 IKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408565498 557041651 /nfs/dbraw/zinc/04/16/51/557041651.db2.gz LAAHRLMEVCHPON-FCDQGJHFSA-N 0 0 444.962 6.145 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(OC)cc2)ccc1OCc1ccccc1Cl ZINC000408571250 557042276 /nfs/dbraw/zinc/04/22/76/557042276.db2.gz AQUIOQBMXKZAAW-UHFFFAOYSA-N 0 0 441.980 5.792 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2C)cc(Cl)c1OCc1ccccc1 ZINC000408574921 557042359 /nfs/dbraw/zinc/04/23/59/557042359.db2.gz NBKGWTQUITVVGO-UHFFFAOYSA-N 0 0 425.981 6.091 40 0 IKABRN Cc1cccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1C ZINC000409270577 557042688 /nfs/dbraw/zinc/04/26/88/557042688.db2.gz QYUBXHHTTFKWRQ-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN CCc1ccc(CNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408573755 557042700 /nfs/dbraw/zinc/04/27/00/557042700.db2.gz KHUIMLZKVAPSAJ-UHFFFAOYSA-N 0 0 430.400 6.600 40 0 IKABRN COc1ccccc1CNC(=S)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408573818 557042745 /nfs/dbraw/zinc/04/27/45/557042745.db2.gz KUJWLZQUHDGIIU-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408574281 557042771 /nfs/dbraw/zinc/04/27/71/557042771.db2.gz LLZVYVIFIBDLAK-HNNXBMFYSA-N 0 0 426.365 5.025 40 0 IKABRN Cc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1C ZINC000409271443 557042777 /nfs/dbraw/zinc/04/27/77/557042777.db2.gz KZPIXQHTFFHNPW-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN COC(=O)c1c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)sc2c1CCC2 ZINC000408576470 557042902 /nfs/dbraw/zinc/04/29/02/557042902.db2.gz VSTASKCESWMSHK-UHFFFAOYSA-N 0 0 437.586 5.876 40 0 IKABRN COc1ccccc1CNC(=S)c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408576604 557042997 /nfs/dbraw/zinc/04/29/97/557042997.db2.gz PZNFMNOXDBFQOE-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1ccc(/C=C(/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)cc1 ZINC000408576596 557043071 /nfs/dbraw/zinc/04/30/71/557043071.db2.gz XEYCFOLBKWBWFB-CPNJWEJPSA-N 0 0 431.841 6.547 40 0 IKABRN COc1cccc(C(=S)NC[C@@H]2CCCO2)c1OCc1c(Cl)cccc1Cl ZINC000408576768 557043306 /nfs/dbraw/zinc/04/33/06/557043306.db2.gz RASGOWMWBMZHTC-ZDUSSCGKSA-N 0 0 426.365 5.025 40 0 IKABRN COc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000408578414 557043972 /nfs/dbraw/zinc/04/39/72/557043972.db2.gz YFKXYWMSKULDQG-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408578329 557043993 /nfs/dbraw/zinc/04/39/93/557043993.db2.gz XNKMLEZKYYMAIN-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)c1 ZINC000408578592 557044254 /nfs/dbraw/zinc/04/42/54/557044254.db2.gz ABAIJYKJIKXYOD-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1C ZINC000408579187 557044502 /nfs/dbraw/zinc/04/45/02/557044502.db2.gz DIUREQVAKBVXSB-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN CN(c1ccccc1C(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 ZINC000408579730 557044557 /nfs/dbraw/zinc/04/45/57/557044557.db2.gz JVGCVPDLTOGRES-UHFFFAOYSA-N 0 0 435.332 5.071 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)N1CCCCCC1 ZINC000408582477 557044794 /nfs/dbraw/zinc/04/47/94/557044794.db2.gz CQDPYWUKCHAYIB-UHFFFAOYSA-N 0 0 442.368 5.202 40 0 IKABRN Cc1nc(-c2ccc(C(=O)Nc3ccccc3I)cc2)c(C)s1 ZINC000408581338 557044828 /nfs/dbraw/zinc/04/48/28/557044828.db2.gz WGDPJTGCADHFEJ-UHFFFAOYSA-N 0 0 434.302 5.284 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C(=O)NCC(C)C ZINC000408583540 557045171 /nfs/dbraw/zinc/04/51/71/557045171.db2.gz IEZVDYWGABAAMB-UHFFFAOYSA-N 0 0 449.787 5.142 40 0 IKABRN Fc1cccc(Cl)c1COc1ccc(C(=S)NCc2ccc3c(c2)OCO3)cc1 ZINC000408575974 557045495 /nfs/dbraw/zinc/04/54/95/557045495.db2.gz PCDGXWJJBZDVCK-UHFFFAOYSA-N 0 0 429.900 5.252 40 0 IKABRN COc1cccc(C(=S)NCc2ccc(F)cc2)c1OCc1c(F)cccc1Cl ZINC000408575928 557045501 /nfs/dbraw/zinc/04/55/01/557045501.db2.gz OWHMBXPMYQIEJF-UHFFFAOYSA-N 0 0 433.907 5.671 40 0 IKABRN COc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000408576048 557045516 /nfs/dbraw/zinc/04/55/16/557045516.db2.gz PKRUFPHSMRJHNF-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN COc1ccc(CCNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000408575958 557045547 /nfs/dbraw/zinc/04/55/47/557045547.db2.gz PAFPCZUTKWPHOR-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(I)cc1F ZINC000408576199 557045576 /nfs/dbraw/zinc/04/55/76/557045576.db2.gz VSFVICBBGHCLFZ-DHZHZOJOSA-N 0 0 433.220 5.342 40 0 IKABRN O=C(CSCc1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1 ZINC000408575788 557045596 /nfs/dbraw/zinc/04/55/96/557045596.db2.gz RCQWLQAQYFSPOK-UHFFFAOYSA-N 0 0 428.351 6.113 40 0 IKABRN Cc1cc(Br)ccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408586169 557045924 /nfs/dbraw/zinc/04/59/24/557045924.db2.gz LQUNHRIQJFIIBL-UHFFFAOYSA-N 0 0 430.729 6.242 40 0 IKABRN CCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408587836 557046329 /nfs/dbraw/zinc/04/63/29/557046329.db2.gz VBQYYIRTVOCEBA-UHFFFAOYSA-N 0 0 433.527 5.516 40 0 IKABRN CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O ZINC000409224642 557046581 /nfs/dbraw/zinc/04/65/81/557046581.db2.gz LMHJFZPXNXPXPN-BUHHDHKDSA-N 0 0 430.888 5.100 40 0 IKABRN CCOc1cc(Br)c(Br)c(-c2nc3ccccc3s2)c1O ZINC000409267332 557081827 /nfs/dbraw/zinc/08/18/27/557081827.db2.gz SZQUPTFXRWASNC-UHFFFAOYSA-N 0 0 429.133 5.593 40 0 IKABRN Cc1cccc(COc2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)cc2)c1 ZINC000409227968 557054694 /nfs/dbraw/zinc/05/46/94/557054694.db2.gz YGXIUWVPVLTVKP-BUVRLJJBSA-N 0 0 443.524 5.493 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C1=O ZINC000409228230 557054708 /nfs/dbraw/zinc/05/47/08/557054708.db2.gz WEUJVOXSARPKLU-BUVRLJJBSA-N 0 0 426.541 6.289 40 0 IKABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000408593401 557055387 /nfs/dbraw/zinc/05/53/87/557055387.db2.gz MPOMKOHIWCDHST-UHFFFAOYSA-N 0 0 437.521 5.184 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(COc2cccc3ccccc32)n1CC ZINC000408594064 557057871 /nfs/dbraw/zinc/05/78/71/557057871.db2.gz DXSLKUYYHRSTJK-UHFFFAOYSA-N 0 0 446.576 5.323 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000409312325 557057957 /nfs/dbraw/zinc/05/79/57/557057957.db2.gz KTBCXCWONNQDRP-HKOYGPOVSA-N 0 0 425.915 7.312 40 0 IKABRN CC(C)c1cc(Br)ccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000408594108 557058148 /nfs/dbraw/zinc/05/81/48/557058148.db2.gz FQFZGYUSMPHELR-UHFFFAOYSA-N 0 0 425.779 5.282 40 0 IKABRN CCOc1ccc2c(c1)nc(SCc1ccccc1OC)n2Cc1ccccc1OC ZINC000082086814 557058204 /nfs/dbraw/zinc/05/82/04/557058204.db2.gz LIWPRNOWONWRRI-UHFFFAOYSA-N 0 0 434.561 5.793 40 0 IKABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000408595316 557058782 /nfs/dbraw/zinc/05/87/82/557058782.db2.gz GTXURZRIRQGDOA-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1ccc(F)cc1)C[C@H](C(C)(C)C)CC2 ZINC000408599780 557063829 /nfs/dbraw/zinc/06/38/29/557063829.db2.gz KPNYDZYFVXYHGJ-CQSZACIVSA-N 0 0 449.613 5.946 40 0 IKABRN O=C(CSc1nc2ccccc2s1)Nc1ccc(Br)c2ccccc12 ZINC000408600092 557063997 /nfs/dbraw/zinc/06/39/97/557063997.db2.gz UGGRRYWKGJJDLA-UHFFFAOYSA-N 0 0 429.364 5.943 40 0 IKABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000408599937 557064145 /nfs/dbraw/zinc/06/41/45/557064145.db2.gz PAIYSUVVNPLIOI-VXLYETTFSA-N 0 0 436.360 6.265 40 0 IKABRN CCOc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc(F)cc1 ZINC000408612553 557067603 /nfs/dbraw/zinc/06/76/03/557067603.db2.gz SLVCKDIWCBIOCA-UHFFFAOYSA-N 0 0 444.344 6.486 40 0 IKABRN Cc1cc(S(=O)(=O)NC2CCCCCCC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408601801 557068597 /nfs/dbraw/zinc/06/85/97/557068597.db2.gz BPLJGOOJTCXNGG-UHFFFAOYSA-N 0 0 434.989 5.292 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2C)cc1 ZINC000408602227 557068894 /nfs/dbraw/zinc/06/88/94/557068894.db2.gz CTPRMLLFKJRDJK-UHFFFAOYSA-N 0 0 438.549 5.144 40 0 IKABRN Cc1ccc(COc2ccc(CNc3ccc(Br)cc3C)cc2Cl)cc1 ZINC000408602887 557068915 /nfs/dbraw/zinc/06/89/15/557068915.db2.gz BFUTWRJUXQKDEM-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)C2CCCCC2)c(C)c1 ZINC000408605303 557069367 /nfs/dbraw/zinc/06/93/67/557069367.db2.gz GBCVAEBSAFURBJ-UHFFFAOYSA-N 0 0 448.673 5.164 40 0 IKABRN COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000408605888 557069380 /nfs/dbraw/zinc/06/93/80/557069380.db2.gz HCEFQGDRAVPARS-UHFFFAOYSA-N 0 0 428.891 5.426 40 0 IKABRN Clc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)c(Cl)c1 ZINC000408605947 557069450 /nfs/dbraw/zinc/06/94/50/557069450.db2.gz HSQFXDRFIYXWOR-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1C ZINC000408605495 557069531 /nfs/dbraw/zinc/06/95/31/557069531.db2.gz KLJDINYCLJMMPL-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000408606892 557069811 /nfs/dbraw/zinc/06/98/11/557069811.db2.gz MNFZKJYWMONKLM-UHFFFAOYSA-N 0 0 428.941 5.264 40 0 IKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000408607455 557069854 /nfs/dbraw/zinc/06/98/54/557069854.db2.gz MKHGIQKXAQKRKE-UHFFFAOYSA-N 0 0 440.908 5.448 40 0 IKABRN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1NC(=O)c1ccccc1 ZINC000408607605 557070168 /nfs/dbraw/zinc/07/01/68/557070168.db2.gz NIJDWKGNNBNISW-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000408622982 557070817 /nfs/dbraw/zinc/07/08/17/557070817.db2.gz QHWDCROUYVTBJH-ZKKFKWFVSA-N 0 0 434.322 5.564 40 0 IKABRN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O ZINC000409344234 557071534 /nfs/dbraw/zinc/07/15/34/557071534.db2.gz ICIZRKCNPRZKNX-CIAFOILYSA-N 0 0 433.533 5.275 40 0 IKABRN CCOc1ccccc1N(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000408624354 557071565 /nfs/dbraw/zinc/07/15/65/557071565.db2.gz HCLAFJUVGVHMMN-UHFFFAOYSA-N 0 0 436.360 5.788 40 0 IKABRN CCOc1ccccc1N(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(OC)cc1 ZINC000408624210 557071629 /nfs/dbraw/zinc/07/16/29/557071629.db2.gz GFLRBEZNVWSHJD-UHFFFAOYSA-N 0 0 449.931 5.282 40 0 IKABRN CSc1nc2sc(C(=O)N[C@@H](C)CCc3ccccc3)cc2c(N2CCCCC2)n1 ZINC000408625763 557071835 /nfs/dbraw/zinc/07/18/35/557071835.db2.gz YAZRHZRPJBVMNW-INIZCTEOSA-N 0 0 440.638 5.155 40 0 IKABRN Cc1cc(Cl)ccc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1 ZINC000408627492 557071871 /nfs/dbraw/zinc/07/18/71/557071871.db2.gz MXEFDWYWSFWUFO-UHFFFAOYSA-N 0 0 449.016 5.073 40 0 IKABRN COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 ZINC000408627512 557072312 /nfs/dbraw/zinc/07/23/12/557072312.db2.gz NIIGGSRVWIMJPR-UHFFFAOYSA-N 0 0 440.323 5.537 40 0 IKABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408615383 557074295 /nfs/dbraw/zinc/07/42/95/557074295.db2.gz PSKNSIKLASJDMN-UHFFFAOYSA-N 0 0 443.330 5.574 40 0 IKABRN CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000409339122 557074320 /nfs/dbraw/zinc/07/43/20/557074320.db2.gz RZFHHVUBLDEYSN-WQRHYEAKSA-N 0 0 432.339 5.473 40 0 IKABRN COc1cccc(Oc2ccc(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)c1 ZINC000408617430 557074822 /nfs/dbraw/zinc/07/48/22/557074822.db2.gz CGQXWFXOCKZIBC-UHFFFAOYSA-N 0 0 439.294 7.285 40 0 IKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)c1 ZINC000409346910 557075223 /nfs/dbraw/zinc/07/52/23/557075223.db2.gz OZGJPWNAQZNHIL-UHFFFAOYSA-N 0 0 426.929 5.229 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OC ZINC000408620312 557075506 /nfs/dbraw/zinc/07/55/06/557075506.db2.gz LUAKPLRXGFKGGO-UHFFFAOYSA-N 0 0 425.912 6.490 40 0 IKABRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 ZINC000408620387 557075520 /nfs/dbraw/zinc/07/55/20/557075520.db2.gz IOAXOXSRBSARRE-HRZAVBMWSA-N 0 0 434.322 5.564 40 0 IKABRN COc1cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc(Br)c1OC ZINC000408620261 557075735 /nfs/dbraw/zinc/07/57/35/557075735.db2.gz LKLAAZZVMSRMRA-UHFFFAOYSA-N 0 0 442.309 5.819 40 0 IKABRN CSc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408622265 557075890 /nfs/dbraw/zinc/07/58/90/557075890.db2.gz NAALQCCURGSATE-UHFFFAOYSA-N 0 0 446.981 5.423 40 0 IKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000408620974 557076001 /nfs/dbraw/zinc/07/60/01/557076001.db2.gz KVKLZYYGFIEUPI-QJMPUOCTSA-N 0 0 448.349 5.738 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408621380 557076014 /nfs/dbraw/zinc/07/60/14/557076014.db2.gz NWVSSSQJYVULCM-UHFFFAOYSA-N 0 0 443.717 6.388 40 0 IKABRN CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 ZINC000409348053 557076178 /nfs/dbraw/zinc/07/61/78/557076178.db2.gz OOEZXVWGZXMJEF-STZFKDTASA-N 0 0 438.549 5.157 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)c(C)c2)cc1OCC ZINC000408622323 557076337 /nfs/dbraw/zinc/07/63/37/557076337.db2.gz PRHDRWFKYSAQGD-UHFFFAOYSA-N 0 0 426.738 5.851 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2C)c1 ZINC000408622380 557076342 /nfs/dbraw/zinc/07/63/42/557076342.db2.gz NLTHXBDLRNFRAY-UHFFFAOYSA-N 0 0 428.598 5.255 40 0 IKABRN CCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)C1=O ZINC000409234499 557076619 /nfs/dbraw/zinc/07/66/19/557076619.db2.gz LCYIKGHLVLKECP-XDHOZWIPSA-N 0 0 444.940 5.112 40 0 IKABRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cc2cccc(OC)c2o1 ZINC000409348694 557076890 /nfs/dbraw/zinc/07/68/90/557076890.db2.gz ONFAFCBGZAMFNG-UHFFFAOYSA-N 0 0 436.537 5.067 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O ZINC000409235317 557076894 /nfs/dbraw/zinc/07/68/94/557076894.db2.gz ZPIAWHPBIHCAJA-RGVLZGJSSA-N 0 0 445.371 6.443 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2Cl)c(C)c1 ZINC000409235263 557077038 /nfs/dbraw/zinc/07/70/38/557077038.db2.gz ZGUNGLMXVFPSGR-UHFFFAOYSA-N 0 0 431.001 5.382 40 0 IKABRN COc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)c(OC)c1 ZINC000408635366 557077218 /nfs/dbraw/zinc/07/72/18/557077218.db2.gz ACFULAODCUAKOK-UHFFFAOYSA-N 0 0 434.879 5.098 40 0 IKABRN CSc1nc2sc(C(=O)Nc3ccccc3SC)cc2c(N2CCCCC2)n1 ZINC000408635410 557077277 /nfs/dbraw/zinc/07/72/77/557077277.db2.gz ARGCCKZSQZSTRY-UHFFFAOYSA-N 0 0 430.624 5.378 40 0 IKABRN CCOc1ccc(NC(=O)c2cc3c(nc(SC)nc3N3CCCCC3)s2)cc1 ZINC000408635537 557077331 /nfs/dbraw/zinc/07/73/31/557077331.db2.gz DGJSEWQJBCQZDD-UHFFFAOYSA-N 0 0 428.583 5.055 40 0 IKABRN Cc1cc(-c2ccc(Br)cc2)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 ZINC000408635807 557077548 /nfs/dbraw/zinc/07/75/48/557077548.db2.gz FKQPSBRHDZSMQO-UHFFFAOYSA-N 0 0 440.344 6.801 40 0 IKABRN O=C(Nc1ccc(F)c(Cl)c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408636140 557077630 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557115292 /nfs/dbraw/zinc/11/52/92/557115292.db2.gz YUVBNRSZGGDZIB-UHFFFAOYSA-N 0 0 437.330 6.110 40 0 IKABRN CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)cc1 ZINC000408696329 557115654 /nfs/dbraw/zinc/11/56/54/557115654.db2.gz ZTXVEPFOWJDPFJ-UHFFFAOYSA-N 0 0 446.938 5.856 40 0 IKABRN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000100521131 557115667 /nfs/dbraw/zinc/11/56/67/557115667.db2.gz MNDJWAKEJGFTBX-JQOLTRQRSA-N 0 0 427.931 5.891 40 0 IKABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000408701464 557116139 /nfs/dbraw/zinc/11/61/39/557116139.db2.gz YIWZGEFKDFGHJX-UHFFFAOYSA-N 0 0 440.590 5.103 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408699980 557116277 /nfs/dbraw/zinc/11/62/77/557116277.db2.gz XZSDKGGPMORNRV-UHFFFAOYSA-N 0 0 437.330 6.110 40 0 IKABRN CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000408702181 557116343 /nfs/dbraw/zinc/11/63/43/557116343.db2.gz 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Cc1ccccc1/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1C ZINC000100840981 557118081 /nfs/dbraw/zinc/11/80/81/557118081.db2.gz ABZCQTWCNXGMMS-WJTDDFOZSA-N 0 0 435.390 6.818 40 0 IKABRN CC(C)Oc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000409340267 557118593 /nfs/dbraw/zinc/11/85/93/557118593.db2.gz TWBJSUDRIREQQC-GDLZYMKVSA-N 0 0 448.566 6.840 40 0 IKABRN CC(C)(C)c1cc(CSCc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1 ZINC000005839246 557119149 /nfs/dbraw/zinc/11/91/49/557119149.db2.gz KBWNNFVHCGCJRF-UHFFFAOYSA-N 0 0 438.765 9.310 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000209940826 557119199 /nfs/dbraw/zinc/11/91/99/557119199.db2.gz DANVKGKAPIZZNV-DNQXCXABSA-N 0 0 426.545 5.058 40 0 IKABRN C1=C[C@H]2C3C4[C@H](C=C[C@H]4[C@@H](CCSc4ccccc4)[C@@H]13)[C@@H]2CCSc1ccccc1 ZINC000101038014 557119341 /nfs/dbraw/zinc/11/93/41/557119341.db2.gz AYZBXVIUEAERKV-DSDYEEGMSA-N 0 0 430.682 7.448 40 0 IKABRN COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3C)n2)c1 ZINC000408700199 557119348 /nfs/dbraw/zinc/11/93/48/557119348.db2.gz ZLHDSQTXAYKEHT-UHFFFAOYSA-N 0 0 436.874 5.296 40 0 IKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)c1C ZINC000408700212 557119366 /nfs/dbraw/zinc/11/93/66/557119366.db2.gz ZOVGBXQQEGRLGL-UHFFFAOYSA-N 0 0 434.902 5.904 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408700666 557120298 /nfs/dbraw/zinc/12/02/98/557120298.db2.gz JWJUIXWMETYWLV-UHFFFAOYSA-N 0 0 441.380 5.119 40 0 IKABRN CCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)cc1 ZINC000408700764 557120672 /nfs/dbraw/zinc/12/06/72/557120672.db2.gz LLADTTWOMGIXGG-UHFFFAOYSA-N 0 0 440.590 5.048 40 0 IKABRN Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000408703163 557120905 /nfs/dbraw/zinc/12/09/05/557120905.db2.gz DVSZQTMJONHJBW-XMMPIXPASA-N 0 0 436.964 5.675 40 0 IKABRN Cc1ccc(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Cl ZINC000408703218 557120931 /nfs/dbraw/zinc/12/09/31/557120931.db2.gz OTTZHYURNFOOFT-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/12/55/78/557125578.db2.gz OJKIRUFAKRPZJC-UHFFFAOYSA-N 0 0 440.590 5.549 40 0 IKABRN CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000409345242 557126121 /nfs/dbraw/zinc/12/61/21/557126121.db2.gz KWJMKMGHDLEEOL-STZFKDTASA-N 0 0 438.549 5.274 40 0 IKABRN CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c2ccccc21 ZINC000409345779 557126812 /nfs/dbraw/zinc/12/68/12/557126812.db2.gz LLJPXDJJFQEVNG-XKZIYDEJSA-N 0 0 447.560 5.343 40 0 IKABRN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C ZINC000409346827 557127075 /nfs/dbraw/zinc/12/70/75/557127075.db2.gz LMRDCYGVNZBZKZ-UHFFFAOYSA-N 0 0 440.956 5.736 40 0 IKABRN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)sc2c1CCCC2 ZINC000001956786 557127343 /nfs/dbraw/zinc/12/73/43/557127343.db2.gz OZPLLBIVEJTDMY-AWEZNQCLSA-N 0 0 435.973 5.480 40 0 IKABRN O=C(CSc1nc2cc(Br)ccc2[nH]1)Nc1ccc(Cl)cc1Cl ZINC000020765271 557127636 /nfs/dbraw/zinc/12/76/36/557127636.db2.gz LSJOKRYLGALLBF-UHFFFAOYSA-N 0 0 431.142 5.363 40 0 IKABRN O=C(CSc1nc2cc(Br)ccc2[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000020765267 557127684 /nfs/dbraw/zinc/12/76/84/557127684.db2.gz JIZMWHYLAAQVRO-UHFFFAOYSA-N 0 0 431.142 5.363 40 0 IKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(C)cc4C)ccc32)cc1 ZINC000020765992 557127953 /nfs/dbraw/zinc/12/79/53/557127953.db2.gz BLLFUVYNMXGKFX-UHFFFAOYSA-N 0 0 434.561 5.006 40 0 IKABRN CC[C@H](C)Oc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409349048 557128075 /nfs/dbraw/zinc/12/80/75/557128075.db2.gz QLVLSVUPXMPOGX-GQFJFNLSSA-N 0 0 429.925 5.437 40 0 IKABRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000409348986 557128106 /nfs/dbraw/zinc/12/81/06/557128106.db2.gz QWKHQSDMSYPIGO-CAOOACKPSA-N 0 0 435.332 5.285 40 0 IKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4c(C)cc(C)cc4C)ccc32)cc1 ZINC000020766228 557128266 /nfs/dbraw/zinc/12/82/66/557128266.db2.gz BKNFPBPTLRTJTD-UHFFFAOYSA-N 0 0 448.588 5.314 40 0 IKABRN O=C(CCCOc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl ZINC000408705392 557128617 /nfs/dbraw/zinc/12/86/17/557128617.db2.gz DVPCJMPMTMDEMB-UHFFFAOYSA-N 0 0 432.800 5.855 40 0 IKABRN CC1CCN(c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 ZINC000408708106 557128761 /nfs/dbraw/zinc/12/87/61/557128761.db2.gz OCYZUCCEPKSKHS-INIZCTEOSA-N 0 0 446.378 5.221 40 0 IKABRN O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408707893 557128770 /nfs/dbraw/zinc/12/87/70/557128770.db2.gz MKYTXHZCDOQTLB-OAQYLSRUSA-N 0 0 432.951 5.031 40 0 IKABRN O=C(Nc1ccc(Br)cc1Br)c1cc2cc(Cl)ccc2o1 ZINC000408706963 557128789 /nfs/dbraw/zinc/12/87/89/557128789.db2.gz FXFSKKKHNXNKBC-UHFFFAOYSA-N 0 0 429.495 5.864 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc(C)c1Cl ZINC000408706053 557128808 /nfs/dbraw/zinc/12/88/08/557128808.db2.gz UESNRRYQFPEKGC-GOSISDBHSA-N 0 0 425.981 6.655 40 0 IKABRN COc1cccc2cc(C(=O)Nc3ccc(Br)cc3Br)oc21 ZINC000408706748 557128863 /nfs/dbraw/zinc/12/88/63/557128863.db2.gz DBRGXJRJXIFYSF-UHFFFAOYSA-N 0 0 425.076 5.219 40 0 IKABRN O=C(Nc1ccc(Br)c(Cl)c1)c1cc2cc(Br)ccc2o1 ZINC000408708453 557129383 /nfs/dbraw/zinc/12/93/83/557129383.db2.gz QHONTAIXCSHMJV-UHFFFAOYSA-N 0 0 429.495 5.864 40 0 IKABRN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000409351751 557129837 /nfs/dbraw/zinc/12/98/37/557129837.db2.gz YYKHSISTEZSWLN-YBFXNURJSA-N 0 0 444.940 5.031 40 0 IKABRN COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O ZINC000409352280 557130583 /nfs/dbraw/zinc/13/05/83/557130583.db2.gz UZBSQBKNIBHRSG-LPYMAVHISA-N 0 0 446.528 5.140 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)N2C[C@H](C)O[C@@H](C)C2)c1C ZINC000102758200 557132188 /nfs/dbraw/zinc/13/21/88/557132188.db2.gz FMZHLCDGPJECMI-LLJLJFOGSA-N 0 0 434.605 5.816 40 0 IKABRN COc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2c1 ZINC000408713505 557132635 /nfs/dbraw/zinc/13/26/35/557132635.db2.gz DBWMJOLMJLPSNA-UHFFFAOYSA-N 0 0 430.891 5.689 40 0 IKABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C)c1 ZINC000102767583 557132706 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557164418 /nfs/dbraw/zinc/16/44/18/557164418.db2.gz GHSBNTCIYNJNMY-UHFFFAOYSA-N 0 0 446.772 6.692 40 0 IKABRN Clc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2)c(Cl)c1 ZINC000107031433 557164421 /nfs/dbraw/zinc/16/44/21/557164421.db2.gz JIWODJRCTJTJHQ-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN CCOc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccccc1F ZINC000107027395 557164424 /nfs/dbraw/zinc/16/44/24/557164424.db2.gz VKCOEPBQHGUITF-UHFFFAOYSA-N 0 0 448.307 6.317 40 0 IKABRN CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F ZINC000107028159 557164445 /nfs/dbraw/zinc/16/44/45/557164445.db2.gz JCDKJBYBAOGPIP-UHFFFAOYSA-N 0 0 444.344 6.486 40 0 IKABRN Clc1ccc(OCc2ccccc2Cl)c(CNc2ccc(Cl)c(Cl)c2)c1 ZINC000107039102 557164683 /nfs/dbraw/zinc/16/46/83/557164683.db2.gz AOORTXORQWYDGY-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000107041664 557164728 /nfs/dbraw/zinc/16/47/28/557164728.db2.gz PYFXTBFFRKKETH-UHFFFAOYSA-N 0 0 440.729 6.986 40 0 IKABRN 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CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1cccc2ccccc21 ZINC000022273764 557187893 /nfs/dbraw/zinc/18/78/93/557187893.db2.gz QDFFAOYGIJUPMU-UHFFFAOYSA-N 0 0 446.528 5.037 40 0 IKABRN CCc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 ZINC000022274078 557188241 /nfs/dbraw/zinc/18/82/41/557188241.db2.gz OUYUUIIHXNJLPU-UHFFFAOYSA-N 0 0 444.556 5.236 40 0 IKABRN Cc1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022274580 557188406 /nfs/dbraw/zinc/18/84/06/557188406.db2.gz HVGXRAJFFNFXAU-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN CCc1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000022274846 557188804 /nfs/dbraw/zinc/18/88/04/557188804.db2.gz AOGDUXWVFLGLPW-UHFFFAOYSA-N 0 0 442.968 5.045 40 0 IKABRN Cc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022274929 557189116 /nfs/dbraw/zinc/18/91/16/557189116.db2.gz XUYQJCSNKVTZJW-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(C)cc2C)cc1 ZINC000022275363 557189374 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557199320 /nfs/dbraw/zinc/19/93/20/557199320.db2.gz BNCYLJKXGGTAOK-CQSZACIVSA-N 0 0 440.858 5.843 40 0 IKABRN Cc1c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cccc1-c1nc2ccccc2s1 ZINC000010003997 557200676 /nfs/dbraw/zinc/20/06/76/557200676.db2.gz NKPIHQBIHNXSHA-UHFFFAOYSA-N 0 0 447.541 5.127 40 0 IKABRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc2c(c1)OCO2 ZINC000010040175 557201383 /nfs/dbraw/zinc/20/13/83/557201383.db2.gz CJSXZGFLLZKGPR-UHFFFAOYSA-N 0 0 427.243 5.783 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1 ZINC000408779704 557201396 /nfs/dbraw/zinc/20/13/96/557201396.db2.gz IHRVRKQUINPQQD-PZDOZLBDSA-N 0 0 445.371 6.415 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000010040283 557201398 /nfs/dbraw/zinc/20/13/98/557201398.db2.gz CUOIIGDKVSNJLI-CQSZACIVSA-N 0 0 448.906 6.643 40 0 IKABRN CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000010112195 557204654 /nfs/dbraw/zinc/20/46/54/557204654.db2.gz WCZVTJFKKXGUTI-UHFFFAOYSA-N 0 0 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Cc1cc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc(C)c1Br ZINC000218834854 557217913 /nfs/dbraw/zinc/21/79/13/557217913.db2.gz NKIZZIPMQFPXLT-UHFFFAOYSA-N 0 0 440.337 5.662 40 0 IKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1Nc1ccccc1 ZINC000408804795 557218021 /nfs/dbraw/zinc/21/80/21/557218021.db2.gz BJXVEQOMWBPDLH-UIFDZKLGSA-N 0 0 446.423 7.047 40 0 IKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1Nc1ccccc1 ZINC000408804790 557218037 /nfs/dbraw/zinc/21/80/37/557218037.db2.gz BJXVEQOMWBPDLH-BOYLGSDFSA-N 0 0 446.423 7.047 40 0 IKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408805301 557218069 /nfs/dbraw/zinc/21/80/69/557218069.db2.gz FZACYUGFLUDTIB-UHFFFAOYSA-N 0 0 434.299 6.155 40 0 IKABRN Cc1ccc2c(c1)[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)CC(C)(C)O2 ZINC000218843794 557218292 /nfs/dbraw/zinc/21/82/92/557218292.db2.gz MUPAKDYFDZCHOA-GOSISDBHSA-N 0 0 432.358 5.172 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408806768 557218438 /nfs/dbraw/zinc/21/84/38/557218438.db2.gz BFVYYYMFRZAAJN-KQWNVCNZSA-N 0 0 431.513 5.905 40 0 IKABRN O=C(COc1ccc(Cl)cc1Br)NCCSc1ccc(Cl)cc1 ZINC000218852793 557218589 /nfs/dbraw/zinc/21/85/89/557218589.db2.gz MZNUICSMZIOMMD-UHFFFAOYSA-N 0 0 435.170 5.043 40 0 IKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc3ccccc23)SC1Nc1ccccc1 ZINC000408807486 557218734 /nfs/dbraw/zinc/21/87/34/557218734.db2.gz CZXBXWOKVWVNPF-STTGBXIHSA-N 0 0 427.593 6.894 40 0 IKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1C(=O)c1ccccc1 ZINC000218856902 557218709 /nfs/dbraw/zinc/21/87/09/557218709.db2.gz CWHRABZJUCRHJX-UHFFFAOYSA-N 0 0 444.712 5.351 40 0 IKABRN CCCOc1ccccc1CCCNC(=O)COc1ccc(Cl)cc1Br ZINC000218857511 557218923 /nfs/dbraw/zinc/21/89/23/557218923.db2.gz JNAWNIVLYGTDTO-UHFFFAOYSA-N 0 0 440.765 5.019 40 0 IKABRN Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Cl)cc1Br)CC(C)(C)O2 ZINC000218857917 557218967 /nfs/dbraw/zinc/21/89/67/557218967.db2.gz CTHWNLQDXYUZDM-INIZCTEOSA-N 0 0 438.749 5.208 40 0 IKABRN CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(Br)c1 ZINC000218873758 557219208 /nfs/dbraw/zinc/21/92/08/557219208.db2.gz AKWYBRQARUXKLV-MRXNPFEDSA-N 0 0 432.402 6.126 40 0 IKABRN CC(C)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c(Br)c1 ZINC000218870938 557219278 /nfs/dbraw/zinc/21/92/78/557219278.db2.gz DWAFGSXGQPFGSC-UHFFFAOYSA-N 0 0 430.386 5.433 40 0 IKABRN CCc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(Br)c1 ZINC000218867222 557219293 /nfs/dbraw/zinc/21/92/93/557219293.db2.gz RXNQPEXRJWAUAX-GOSISDBHSA-N 0 0 432.358 5.117 40 0 IKABRN COC(=O)c1cc(NC(=O)COc2ccc(C(C)C)cc2Br)ccc1Cl ZINC000218872372 557219298 /nfs/dbraw/zinc/21/92/98/557219298.db2.gz CMRKZHYBLMLYCA-UHFFFAOYSA-N 0 0 440.721 5.030 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)NCCSCc2ccccc2)c(Br)c1 ZINC000218879456 557219530 /nfs/dbraw/zinc/21/95/30/557219530.db2.gz SPNRVHHJVLPKCY-UHFFFAOYSA-N 0 0 436.415 5.175 40 0 IKABRN O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCCc2ccccc21 ZINC000010449469 557219871 /nfs/dbraw/zinc/21/98/71/557219871.db2.gz RUJLZXDDIGWJSD-SANMLTNESA-N 0 0 428.557 5.054 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c(Br)c1 ZINC000218884818 557219878 /nfs/dbraw/zinc/21/98/78/557219878.db2.gz ZENXFYPNCAIKEP-UHFFFAOYSA-N 0 0 446.385 6.086 40 0 IKABRN C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C(C)(C)C)cc1 ZINC000218882704 557219886 /nfs/dbraw/zinc/21/98/86/557219886.db2.gz SUJANTNTYKKWNV-INIZCTEOSA-N 0 0 446.429 6.300 40 0 IKABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000010449657 557220189 /nfs/dbraw/zinc/22/01/89/557220189.db2.gz FMZUTXTZVFVABC-QYBDOPJKSA-N 0 0 428.557 5.052 40 0 IKABRN C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C(C)(C)C)cc1 ZINC000218904285 557220190 /nfs/dbraw/zinc/22/01/90/557220190.db2.gz NVZGKWSRZVHJMB-MRXNPFEDSA-N 0 0 440.381 6.156 40 0 IKABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000010449654 557220196 /nfs/dbraw/zinc/22/01/96/557220196.db2.gz FMZUTXTZVFVABC-WXTAPIANSA-N 0 0 428.557 5.052 40 0 IKABRN COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000218903439 557220262 /nfs/dbraw/zinc/22/02/62/557220262.db2.gz ZUFHFLHJBQFUJF-UHFFFAOYSA-N 0 0 448.700 5.060 40 0 IKABRN O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1Oc1ccccc1 ZINC000218903555 557220274 /nfs/dbraw/zinc/22/02/74/557220274.db2.gz SNJNLNZBAKLLQW-UHFFFAOYSA-N 0 0 448.316 6.412 40 0 IKABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000010449655 557220236 /nfs/dbraw/zinc/22/02/36/557220236.db2.gz FMZUTXTZVFVABC-HFJWLAOPSA-N 0 0 428.557 5.052 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1C ZINC000218905940 557220678 /nfs/dbraw/zinc/22/06/78/557220678.db2.gz XINUCXVWGXFWOB-UHFFFAOYSA-N 0 0 442.309 5.105 40 0 IKABRN O=C(COc1ccc(Br)cc1Cl)NCCSCc1cccc(Cl)c1 ZINC000218943034 557221104 /nfs/dbraw/zinc/22/11/04/557221104.db2.gz ZMKPYKABZIQKRI-UHFFFAOYSA-N 0 0 449.197 5.184 40 0 IKABRN CC(C)Oc1ccc(CCCNC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000218946301 557221220 /nfs/dbraw/zinc/22/12/20/557221220.db2.gz MYMBGVKPYGADNT-UHFFFAOYSA-N 0 0 440.765 5.018 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000218944105 557221275 /nfs/dbraw/zinc/22/12/75/557221275.db2.gz MLMXKTIRJKFSIM-UHFFFAOYSA-N 0 0 440.721 5.077 40 0 IKABRN CC(C)Oc1cccc(CCCNC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000218946232 557221296 /nfs/dbraw/zinc/22/12/96/557221296.db2.gz BSFOKKXHOZCLNS-UHFFFAOYSA-N 0 0 440.765 5.018 40 0 IKABRN Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Br)cc1Cl)CC(C)(C)O2 ZINC000218947007 557221626 /nfs/dbraw/zinc/22/16/26/557221626.db2.gz CAEKKWIQALIHDV-MRXNPFEDSA-N 0 0 438.749 5.208 40 0 IKABRN O=C(NCCSCc1c(F)cccc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000218976618 557221933 /nfs/dbraw/zinc/22/19/33/557221933.db2.gz XDHLYXDCIVRCIX-UHFFFAOYSA-N 0 0 429.944 5.721 40 0 IKABRN Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 ZINC000218992944 557222928 /nfs/dbraw/zinc/22/29/28/557222928.db2.gz YHCISMQSWXFWFQ-UHFFFAOYSA-N 0 0 447.922 5.550 40 0 IKABRN CC(C)Oc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408808456 557222985 /nfs/dbraw/zinc/22/29/85/557222985.db2.gz PRBAULBVVWUXCM-IPOZWTLPSA-N 0 0 435.613 6.528 40 0 IKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1Nc1ccccc1 ZINC000408812335 557224517 /nfs/dbraw/zinc/22/45/17/557224517.db2.gz SHTJXXGGZNGKKB-BKOOLHNBSA-N 0 0 429.968 6.533 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3cccc(F)c3)c2)cc1 ZINC000022528680 557224815 /nfs/dbraw/zinc/22/48/15/557224815.db2.gz HZKPPEGPKUOUCR-UHFFFAOYSA-N 0 0 449.551 5.502 40 0 IKABRN CC(C)COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408812710 557225069 /nfs/dbraw/zinc/22/50/69/557225069.db2.gz PIDBFCCJPLMHQV-HMTVJDKSSA-N 0 0 449.640 6.775 40 0 IKABRN CC(C)COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408812722 557225073 /nfs/dbraw/zinc/22/50/73/557225073.db2.gz PIDBFCCJPLMHQV-VITHBVDTSA-N 0 0 449.640 6.775 40 0 IKABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022529147 557225061 /nfs/dbraw/zinc/22/50/61/557225061.db2.gz HEEBYSBJXVCOAF-JLHYYAGUSA-N 0 0 449.988 6.143 40 0 IKABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 ZINC000022528760 557225134 /nfs/dbraw/zinc/22/51/34/557225134.db2.gz UUKYHECGNYWOEM-UHFFFAOYSA-N 0 0 449.557 5.107 40 0 IKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1OC ZINC000408813782 557226783 /nfs/dbraw/zinc/22/67/83/557226783.db2.gz OVRYUPCMNBFZND-DQJFTVIJSA-N 0 0 437.585 5.758 40 0 IKABRN COC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)o1 ZINC000017096168 557226983 /nfs/dbraw/zinc/22/69/83/557226983.db2.gz OUMPVIDMUZUOGQ-UHFFFAOYSA-N 0 0 428.822 5.577 40 0 IKABRN COc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c(-c3ccc(OC)cc3)c2C)cc1 ZINC000017103161 557227005 /nfs/dbraw/zinc/22/70/05/557227005.db2.gz APNKVUBIIOKJIQ-UHFFFAOYSA-N 0 0 439.342 6.839 40 0 IKABRN C=Cc1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)cc1 ZINC000017095231 557227016 /nfs/dbraw/zinc/22/70/16/557227016.db2.gz YPHUOBHQZHXOEI-UHFFFAOYSA-N 0 0 426.991 7.795 40 0 IKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000011117170 557227084 /nfs/dbraw/zinc/22/70/84/557227084.db2.gz WGJSLZPKPKQOAN-UXHICEINSA-N 0 0 447.482 5.222 40 0 IKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000011117339 557227128 /nfs/dbraw/zinc/22/71/28/557227128.db2.gz KBYBMTNELLFQAM-LEWJYISDSA-N 0 0 427.957 5.165 40 0 IKABRN COc1ccc(OC)c(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1 ZINC000408814928 557227353 /nfs/dbraw/zinc/22/73/53/557227353.db2.gz ZUYGTWUGNMNJQP-PDMLIXRGSA-N 0 0 437.585 5.758 40 0 IKABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000219133416 557227591 /nfs/dbraw/zinc/22/75/91/557227591.db2.gz LYNRXRXLLRMMNU-UHFFFAOYSA-N 0 0 431.923 5.571 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000011196609 557227717 /nfs/dbraw/zinc/22/77/17/557227717.db2.gz LCHZMSVHGMXLSL-UHFFFAOYSA-N 0 0 442.588 5.844 40 0 IKABRN O=C1OC(c2ccccc2)=N/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408816723 557230015 /nfs/dbraw/zinc/23/00/15/557230015.db2.gz KBSWPOMUTXLXPX-WSDLNYQXSA-N 0 0 447.321 6.341 40 0 IKABRN Cc1[nH]c2ccccc2c1/C=C1\SC(Nc2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000408816191 557230959 /nfs/dbraw/zinc/23/09/59/557230959.db2.gz XYZBWDQPYARYBS-BJWRTATPSA-N 0 0 430.597 6.530 40 0 IKABRN CCOc1cc(OCC)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408817954 557232271 /nfs/dbraw/zinc/23/22/71/557232271.db2.gz XBUSCVYUZZBSGZ-WQRHYEAKSA-N 0 0 448.338 5.487 40 0 IKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OC ZINC000408819263 557232658 /nfs/dbraw/zinc/23/26/58/557232658.db2.gz YWHPFAFSDXMSOG-PHPGQWLJSA-N 0 0 437.585 5.758 40 0 IKABRN O=C(NCCCN1CCCc2ccccc21)c1ccc(OCCSc2ccccc2)cc1 ZINC000219266458 557234411 /nfs/dbraw/zinc/23/44/11/557234411.db2.gz XTWJPHJFLBJYAJ-UHFFFAOYSA-N 0 0 446.616 5.430 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000219265586 557234431 /nfs/dbraw/zinc/23/44/31/557234431.db2.gz ITBWMZHHYZVKND-XMMPIXPASA-N 0 0 447.600 6.198 40 0 IKABRN COc1cc2ccccc2cc1C(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C ZINC000026124527 557235513 /nfs/dbraw/zinc/23/55/13/557235513.db2.gz DWNOUPHJMIJWTC-UHFFFAOYSA-N 0 0 442.906 5.796 40 0 IKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000026124152 557235554 /nfs/dbraw/zinc/23/55/54/557235554.db2.gz SOKBIWISZUJXAF-UHFFFAOYSA-N 0 0 445.281 5.192 40 0 IKABRN Cc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(Cl)cc4Cl)cc3n2)cc1 ZINC000026124045 557235579 /nfs/dbraw/zinc/23/55/79/557235579.db2.gz RBIIVYAMBOPBDF-UHFFFAOYSA-N 0 0 441.318 5.362 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 ZINC000026124644 557235590 /nfs/dbraw/zinc/23/55/90/557235590.db2.gz ONYLXKUHKHDFIP-UHFFFAOYSA-N 0 0 448.954 5.832 40 0 IKABRN CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1cc(C)ccc1C ZINC000408822041 557236137 /nfs/dbraw/zinc/23/61/37/557236137.db2.gz AYUFITPKBRJHIY-UHFFFAOYSA-N 0 0 429.383 6.394 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(Cl)cc1Cl ZINC000408821546 557236846 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O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cc(Cl)ccc1Cl ZINC000057317004 557240558 /nfs/dbraw/zinc/24/05/58/557240558.db2.gz OHERHTUKQDJJNW-UHFFFAOYSA-N 0 0 425.109 5.946 40 0 IKABRN O=C(CSc1nnc(COc2ccccc2)o1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000012249409 557240949 /nfs/dbraw/zinc/24/09/49/557240949.db2.gz PPJWCDCTFCMDRO-UHFFFAOYSA-N 0 0 444.727 5.340 40 0 IKABRN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317261 557241122 /nfs/dbraw/zinc/24/11/22/557241122.db2.gz PTLYFRNARPEYBI-UHFFFAOYSA-N 0 0 448.847 5.526 40 0 IKABRN CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000219417215 557243832 /nfs/dbraw/zinc/24/38/32/557243832.db2.gz QQTAGPWLODSINT-UHFFFAOYSA-N 0 0 447.450 6.078 40 0 IKABRN Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4csc5ccccc45)CC3)o2)cn1 ZINC000100155921 557244034 /nfs/dbraw/zinc/24/40/34/557244034.db2.gz QDGDWWGTCHKSKR-CALCHBBNSA-N 0 0 432.549 5.359 40 0 IKABRN Cc1ccc2c(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5ccncc5)o4)CC3)coc2c1C ZINC000100155836 557244120 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557269986 /nfs/dbraw/zinc/26/99/86/557269986.db2.gz QENFVUUJDYQHBL-UHFFFAOYSA-N 0 0 429.944 5.721 40 0 IKABRN COc1ccc(OC[C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000219843054 557270033 /nfs/dbraw/zinc/27/00/33/557270033.db2.gz HOEBKMWZBSDSGS-KRWDZBQOSA-N 0 0 425.912 5.125 40 0 IKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000013026793 557270121 /nfs/dbraw/zinc/27/01/21/557270121.db2.gz RWQPZSWFGHLJCV-RUZDIDTESA-N 0 0 448.538 5.424 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2ccco2)cc1 ZINC000013026849 557270162 /nfs/dbraw/zinc/27/01/62/557270162.db2.gz DZRYEZPHRSAGCX-VWLOTQADSA-N 0 0 430.548 5.073 40 0 IKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000013026795 557270241 /nfs/dbraw/zinc/27/02/41/557270241.db2.gz RWQPZSWFGHLJCV-VWLOTQADSA-N 0 0 448.538 5.424 40 0 IKABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 ZINC000013026772 557270252 /nfs/dbraw/zinc/27/02/52/557270252.db2.gz 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ZINC000013025551 557274539 /nfs/dbraw/zinc/27/45/39/557274539.db2.gz KVLLHIGXAYZMAV-XMMPIXPASA-N 0 0 432.520 5.125 40 0 IKABRN CCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013025612 557274567 /nfs/dbraw/zinc/27/45/67/557274567.db2.gz BSDGHGDVDHTSRL-JOCHJYFZSA-N 0 0 438.549 5.187 40 0 IKABRN Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3C=CCC3)CC2)on1 ZINC000100743906 557274873 /nfs/dbraw/zinc/27/48/73/557274873.db2.gz BZJSCPSCOYZACM-SLFFLAALSA-N 0 0 436.600 5.484 40 0 IKABRN Cc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000013082911 557275926 /nfs/dbraw/zinc/27/59/26/557275926.db2.gz ZSJUNKCEQZMPCX-KDURUIRLSA-N 0 0 435.593 5.109 40 0 IKABRN CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NC3CCCCCC3)c2c1 ZINC000013084490 557277466 /nfs/dbraw/zinc/27/74/66/557277466.db2.gz CIKDLESZCYBZFV-UHFFFAOYSA-N 0 0 433.621 6.099 40 0 IKABRN O=C(CSc1nc(-c2ccccc2)nc2c1cccc2C(F)(F)F)NC1CCCC1 ZINC000013084483 557277491 /nfs/dbraw/zinc/27/74/91/557277491.db2.gz WQQSEPQQWZTXMO-UHFFFAOYSA-N 0 0 431.483 5.467 40 0 IKABRN CCc1nnc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c32)CC[C@@H](C)C4)s1 ZINC000013065303 557279130 /nfs/dbraw/zinc/27/91/30/557279130.db2.gz KDJFDMAQFSPNGK-LLVKDONJSA-N 0 0 447.655 5.084 40 0 IKABRN CCc1nnc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c32)CC[C@H](C)C4)s1 ZINC000013065302 557279280 /nfs/dbraw/zinc/27/92/80/557279280.db2.gz KDJFDMAQFSPNGK-NSHDSACASA-N 0 0 447.655 5.084 40 0 IKABRN O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)N(C1CCCCC1)C1CCCCC1 ZINC000013086536 557280680 /nfs/dbraw/zinc/28/06/80/557280680.db2.gz NYXAMXPYHMGVEW-UHFFFAOYSA-N 0 0 448.636 6.211 40 0 IKABRN CC(C)(C)c1[n-]n(-c2ccccc2)c(=O)c1-c1c(C(C)(C)C)[n-]n(-c2ccccc2)c1=O ZINC000100989749 557280771 /nfs/dbraw/zinc/28/07/71/557280771.db2.gz HVUYFELWXZRABM-WOJBJXKFSA-N 0 0 430.552 5.117 40 0 IKABRN COC(=O)c1ccc(Cn2c(-c3ccccc3Cl)cs/c2=N/c2ccccc2)cc1 ZINC000100992761 557280841 /nfs/dbraw/zinc/28/08/41/557280841.db2.gz RWJQKIXAANNANE-SHHOIMCASA-N 0 0 434.948 5.937 40 0 IKABRN CC[C@H](C)N1C(=O)S/C(=C/c2c(OCc3cccc(C)c3)ccc3ccccc32)C1=O ZINC000409020378 557281003 /nfs/dbraw/zinc/28/10/03/557281003.db2.gz OSHRBHMZJYHZIK-WORIPGKHSA-N 0 0 431.557 6.562 40 0 IKABRN Cc1cccc(COc2c(Cl)cc(/C=C3/SC(=O)N(C(C)C)C3=O)cc2Cl)c1 ZINC000409015704 557281941 /nfs/dbraw/zinc/28/19/41/557281941.db2.gz PUQGNQJOLVUXNR-VCHYOVAHSA-N 0 0 436.360 6.326 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2cc(Br)cc(Br)c2OC)C1=O ZINC000409058208 557286177 /nfs/dbraw/zinc/28/61/77/557286177.db2.gz JEINRMRPOPKZMS-GHXNOFRVSA-N 0 0 449.164 5.057 40 0 IKABRN CCCCc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000220253382 557288386 /nfs/dbraw/zinc/28/83/86/557288386.db2.gz YKJGQIWWFKXDKZ-AWEZNQCLSA-N 0 0 443.396 5.129 40 0 IKABRN CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OCC ZINC000023100911 557294081 /nfs/dbraw/zinc/29/40/81/557294081.db2.gz RSWFVHLQCBEDIC-XNTDXEJSSA-N 0 0 447.304 5.321 40 0 IKABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C)c1 ZINC000101248496 557298530 /nfs/dbraw/zinc/29/85/30/557298530.db2.gz UNPWUJZCWFCHDA-VABKMULXSA-N 0 0 432.907 5.008 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220547524 557299933 /nfs/dbraw/zinc/29/99/33/557299933.db2.gz GIJPTNDPXSOYLT-SIKLNZKXSA-N 0 0 444.641 5.023 40 0 IKABRN CC[C@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220547668 557299937 /nfs/dbraw/zinc/29/99/37/557299937.db2.gz GIJPTNDPXSOYLT-DENIHFKCSA-N 0 0 444.641 5.023 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(CSc3nnnn3-c3ccccc3)cc2)cc1Cl ZINC000032117968 557303133 /nfs/dbraw/zinc/30/31/33/557303133.db2.gz GQJBTMAZWJMHQW-UHFFFAOYSA-N 0 0 435.940 5.169 40 0 IKABRN CC(C)[C@@H](O)[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000102676419 557305088 /nfs/dbraw/zinc/30/50/88/557305088.db2.gz ITBZCTBEJMCLOU-UELMXRNQSA-N 0 0 430.610 7.109 40 0 IKABRN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220682987 557306376 /nfs/dbraw/zinc/30/63/76/557306376.db2.gz UGIKNZIHWSQVKC-SFHVURJKSA-N 0 0 443.396 5.300 40 0 IKABRN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220695277 557307674 /nfs/dbraw/zinc/30/76/74/557307674.db2.gz JIRJLRNHDDZFSX-GOSISDBHSA-N 0 0 443.396 5.102 40 0 IKABRN CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220703669 557308486 /nfs/dbraw/zinc/30/84/86/557308486.db2.gz POQICPMQIWYSGM-SFHVURJKSA-N 0 0 443.396 5.102 40 0 IKABRN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220703742 557308792 /nfs/dbraw/zinc/30/87/92/557308792.db2.gz POQICPMQIWYSGM-GOSISDBHSA-N 0 0 443.396 5.102 40 0 IKABRN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013303760 557308833 /nfs/dbraw/zinc/30/88/33/557308833.db2.gz AHGVOUCXANYSTB-WUXMJOGZSA-N 0 0 427.718 6.516 40 0 IKABRN O=C(Nc1cccc(Cl)c1)N1N=C2[C@H](CCC[C@@H]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013303622 557308888 /nfs/dbraw/zinc/30/88/88/557308888.db2.gz 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Cc1cccc2c(SCC(=O)Nc3ccccc3Cl)nc(-c3ccc(F)cc3)nc12 ZINC000013388729 557309864 /nfs/dbraw/zinc/30/98/64/557309864.db2.gz UMIJAOYDSFUOFO-UHFFFAOYSA-N 0 0 437.927 6.129 40 0 IKABRN CCCCc1ccc(NC(=O)[C@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000220735804 557310495 /nfs/dbraw/zinc/31/04/95/557310495.db2.gz YZSFCIKMXVYQPT-NRFANRHFSA-N 0 0 437.005 5.174 40 0 IKABRN COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000102941983 557310506 /nfs/dbraw/zinc/31/05/06/557310506.db2.gz VENREXJNMXUIOK-NIKOPTJBSA-N 0 0 428.532 5.292 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(C)c2C)cc1 ZINC000113938123 557310589 /nfs/dbraw/zinc/31/05/89/557310589.db2.gz DFTAJOVMELPGOT-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O ZINC000408931193 557317078 /nfs/dbraw/zinc/31/70/78/557317078.db2.gz IHMJIHCXPBQVNM-HMAPJEAMSA-N 0 0 446.528 5.222 40 0 IKABRN COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)ccc1OCc1c(C)noc1C ZINC000032922963 557318232 /nfs/dbraw/zinc/31/82/32/557318232.db2.gz RYIBQBBEQKGBLE-PLPIMOSISA-N 0 0 438.568 5.319 40 0 IKABRN Cc1cccc2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1 ZINC000104104943 557320756 /nfs/dbraw/zinc/32/07/56/557320756.db2.gz LUFXTUNHLSMPFE-UHFFFAOYSA-N 0 0 446.593 9.816 40 0 IKABRN BrC1=C(c2ccccc2)[C@H]2CCCC[C@H]2[C@]1(Br)c1ccccc1 ZINC000104136148 557321095 /nfs/dbraw/zinc/32/10/95/557321095.db2.gz BPNRCGIFCBGTDU-WAOWUJCRSA-N 0 0 432.199 6.903 40 0 IKABRN CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000104231586 557322707 /nfs/dbraw/zinc/32/27/07/557322707.db2.gz JXLGGCXIZSBNQQ-DEOSSOPVSA-N 0 0 437.609 5.786 40 0 IKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@H]2c1cccs1 ZINC000104231599 557322736 /nfs/dbraw/zinc/32/27/36/557322736.db2.gz DHSMPEWOPPHIJF-VWLOTQADSA-N 0 0 449.620 6.073 40 0 IKABRN CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 ZINC000104231310 557322747 /nfs/dbraw/zinc/32/27/47/557322747.db2.gz DHEXALBAPGFFLQ-AREMUKBSSA-N 0 0 447.579 5.487 40 0 IKABRN CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC ZINC000104231363 557322763 /nfs/dbraw/zinc/32/27/63/557322763.db2.gz IIRBTOFLKIXUSE-SANMLTNESA-N 0 0 447.579 5.487 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NCc1ccccc1 ZINC000104231720 557323019 /nfs/dbraw/zinc/32/30/19/557323019.db2.gz UEPPRJSROVKRDE-AREMUKBSSA-N 0 0 427.504 5.226 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccc(F)cc1 ZINC000104231861 557323040 /nfs/dbraw/zinc/32/30/40/557323040.db2.gz COUXTGLKXUVYOQ-VWLOTQADSA-N 0 0 431.467 5.687 40 0 IKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@H]2c1cccs1 ZINC000104231925 557323058 /nfs/dbraw/zinc/32/30/58/557323058.db2.gz AKGIWLYFKAJHPL-DEOSSOPVSA-N 0 0 443.572 7.246 40 0 IKABRN Clc1ccccc1[C@@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000104339815 557325557 /nfs/dbraw/zinc/32/55/57/557325557.db2.gz YPVBRRIAPQVVGJ-WJOKGBTCSA-N 0 0 445.005 8.507 40 0 IKABRN CC(=O)Oc1cc(C)cc2c1[C@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](OC(C)=O)CC[C@]34C)[C@@H]1C2 ZINC000104387369 557326122 /nfs/dbraw/zinc/32/61/22/557326122.db2.gz NJDMULFSFVYYPR-JVEYZHRNSA-N 0 0 438.608 5.908 40 0 IKABRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497656 557327073 /nfs/dbraw/zinc/32/70/73/557327073.db2.gz FZFFPOHEVJJVFT-QHCPKHFHSA-N 0 0 438.618 5.181 40 0 IKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1C ZINC000013497802 557327270 /nfs/dbraw/zinc/32/72/70/557327270.db2.gz HKLCRRUOWDVNDV-VWLOTQADSA-N 0 0 447.604 5.136 40 0 IKABRN CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(OCC)cc1 ZINC000013497920 557327316 /nfs/dbraw/zinc/32/73/16/557327316.db2.gz SHBYQTPVJZBJGK-DEOSSOPVSA-N 0 0 442.625 5.118 40 0 IKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1C ZINC000013498263 557327498 /nfs/dbraw/zinc/32/74/98/557327498.db2.gz YOKMFFFOFRFJKE-AREMUKBSSA-N 0 0 446.616 5.741 40 0 IKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1 ZINC000013498333 557327525 /nfs/dbraw/zinc/32/75/25/557327525.db2.gz WNKYJPWDXBITPT-AREMUKBSSA-N 0 0 446.616 5.741 40 0 IKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)cc1 ZINC000013498335 557327597 /nfs/dbraw/zinc/32/75/97/557327597.db2.gz FCJKZLXJFKAJKG-RUZDIDTESA-N 0 0 432.589 5.432 40 0 IKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498402 557327774 /nfs/dbraw/zinc/32/77/74/557327774.db2.gz BQAJTBBGABHSAC-VWLOTQADSA-N 0 0 448.588 5.133 40 0 IKABRN O=C(Cc1cccs1)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498375 557327796 /nfs/dbraw/zinc/32/77/96/557327796.db2.gz XMPVNJHLARNKEC-XMMPIXPASA-N 0 0 436.552 5.263 40 0 IKABRN Cc1cccc(C)c1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498411 557327803 /nfs/dbraw/zinc/32/78/03/557327803.db2.gz HHGMMBQOSQOIRP-AREMUKBSSA-N 0 0 446.616 5.741 40 0 IKABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1C ZINC000013498417 557327856 /nfs/dbraw/zinc/32/78/56/557327856.db2.gz YHSIMLHHQXLTKP-AREMUKBSSA-N 0 0 446.616 5.741 40 0 IKABRN COc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498401 557327859 /nfs/dbraw/zinc/32/78/59/557327859.db2.gz BQAJTBBGABHSAC-RUZDIDTESA-N 0 0 448.588 5.133 40 0 IKABRN CCc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498404 557327870 /nfs/dbraw/zinc/32/78/70/557327870.db2.gz FVLZTBKUKSDLIB-SANMLTNESA-N 0 0 446.616 5.686 40 0 IKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(F)cc4)n21)CC[C@H](C)C3 ZINC000013499787 557328877 /nfs/dbraw/zinc/32/88/77/557328877.db2.gz NIYCQONFMOTROQ-LBPRGKRZSA-N 0 0 440.569 5.140 40 0 IKABRN Cc1sc2nc(C3CCCCC3)nc(SCC(=O)NCc3cccs3)c2c1C ZINC000013499951 557329342 /nfs/dbraw/zinc/32/93/42/557329342.db2.gz KWCDVZZNOLSEPM-UHFFFAOYSA-N 0 0 431.652 5.826 40 0 IKABRN COc1ccc(C(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c32)cc1 ZINC000013499941 557329399 /nfs/dbraw/zinc/32/93/99/557329399.db2.gz YQANNZJHMNEPGR-UHFFFAOYSA-N 0 0 426.607 6.339 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4ccccc4Cl)nnc3c2c1C ZINC000013499983 557329568 /nfs/dbraw/zinc/32/95/68/557329568.db2.gz YEYOHZJCYAPFJY-UHFFFAOYSA-N 0 0 446.001 5.463 40 0 IKABRN CCCCc1nc2c(ncc(NC(=O)c3cccc(Cl)c3)c2C)n1Cc1ccccc1 ZINC000013500029 557329606 /nfs/dbraw/zinc/32/96/06/557329606.db2.gz QHUFLBFRRDKTHX-UHFFFAOYSA-N 0 0 432.955 6.036 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4ccc(C)c(C)c4)nnc3c2c1C ZINC000013500008 557329619 /nfs/dbraw/zinc/32/96/19/557329619.db2.gz UQYQINDWUIECBB-UHFFFAOYSA-N 0 0 439.610 5.427 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4cccc(C)c4C)nnc3c2c1C ZINC000013499979 557329643 /nfs/dbraw/zinc/32/96/43/557329643.db2.gz PCOXZLZMNRRVHZ-UHFFFAOYSA-N 0 0 439.610 5.427 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)c3cc(Br)ccc3Cl)ccc21 ZINC000105059952 557330207 /nfs/dbraw/zinc/33/02/07/557330207.db2.gz SGAKKUDJDUMIOC-UHFFFAOYSA-N 0 0 427.729 6.483 40 0 IKABRN CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccccc1Cl ZINC000013509688 557331406 /nfs/dbraw/zinc/33/14/06/557331406.db2.gz MFHNCNYIHBHWNG-UHFFFAOYSA-N 0 0 432.955 6.036 40 0 IKABRN COCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000013510041 557331684 /nfs/dbraw/zinc/33/16/84/557331684.db2.gz MHEJVTAPUKDRBS-UHFFFAOYSA-N 0 0 429.973 5.449 40 0 IKABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C)n1[C@H](C)c1ccccc1 ZINC000013512022 557332840 /nfs/dbraw/zinc/33/28/40/557332840.db2.gz CPEVTSMWOOCZRT-QGZVFWFLSA-N 0 0 432.549 5.495 40 0 IKABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2F)n1[C@H](C)c1ccccc1 ZINC000013512262 557333082 /nfs/dbraw/zinc/33/30/82/557333082.db2.gz DULSWBHQSOIZPU-OAHLLOKOSA-N 0 0 436.512 5.326 40 0 IKABRN COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1[C@@H](C)c1ccccc1 ZINC000013512447 557333569 /nfs/dbraw/zinc/33/35/69/557333569.db2.gz XTVOOFBBGVVFRU-INIZCTEOSA-N 0 0 448.548 5.195 40 0 IKABRN CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1cccc(C(F)(F)F)c1 ZINC000013512803 557333844 /nfs/dbraw/zinc/33/38/44/557333844.db2.gz HKFLNZPHBCKRBJ-UHFFFAOYSA-N 0 0 446.517 6.134 40 0 IKABRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c(C)c1 ZINC000013513150 557334388 /nfs/dbraw/zinc/33/43/88/557334388.db2.gz ZJIHGGZNNFJCGY-UHFFFAOYSA-N 0 0 443.576 5.044 40 0 IKABRN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccccn2)n1Cc1ccccc1 ZINC000013513385 557334570 /nfs/dbraw/zinc/33/45/70/557334570.db2.gz MBFNTDBSZUXLHW-IBGZPJMESA-N 0 0 443.576 5.125 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)NC3CCCCC3)cc2c1 ZINC000013513892 557334968 /nfs/dbraw/zinc/33/49/68/557334968.db2.gz CDMINFKKGACKBL-UHFFFAOYSA-N 0 0 435.999 6.550 40 0 IKABRN Cc1cccc(C(=O)N(Cc2ccccc2)Cc2cc3cc(C)cc(C)c3nc2Cl)c1 ZINC000013513903 557334974 /nfs/dbraw/zinc/33/49/74/557334974.db2.gz PLZBPBVXAHIYHG-UHFFFAOYSA-N 0 0 428.963 6.656 40 0 IKABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O ZINC000222384826 557337268 /nfs/dbraw/zinc/33/72/68/557337268.db2.gz SJBQMGBVEOLJTD-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000222386104 557337284 /nfs/dbraw/zinc/33/72/84/557337284.db2.gz ZNDDNWPDCMKMPD-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(F)c2)cc1 ZINC000013502394 557337397 /nfs/dbraw/zinc/33/73/97/557337397.db2.gz MWQWXKYOQVELAH-RUZDIDTESA-N 0 0 445.538 5.366 40 0 IKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccccn1)c1ccc(Cl)cc1 ZINC000013502416 557337407 /nfs/dbraw/zinc/33/74/07/557337407.db2.gz IJBUIJJBUWDAEP-XMMPIXPASA-N 0 0 447.966 5.572 40 0 IKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(F)cc2)cc1 ZINC000013502392 557337423 /nfs/dbraw/zinc/33/74/23/557337423.db2.gz ADZALPUICKMLFS-RUZDIDTESA-N 0 0 445.538 5.366 40 0 IKABRN Cc1ccc(CN(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000013502414 557337430 /nfs/dbraw/zinc/33/74/30/557337430.db2.gz RBVITUAUACUNEE-AREMUKBSSA-N 0 0 441.575 5.223 40 0 IKABRN CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1 ZINC000013502680 557337659 /nfs/dbraw/zinc/33/76/59/557337659.db2.gz YPHGJYYQOXUDKY-UHFFFAOYSA-N 0 0 426.541 5.759 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222394257 557337747 /nfs/dbraw/zinc/33/77/47/557337747.db2.gz LOWRYCGMNWYBMA-RUZDIDTESA-N 0 0 436.640 5.557 40 0 IKABRN O=C(CN1CCCCCC1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2 ZINC000013503373 557338185 /nfs/dbraw/zinc/33/81/85/557338185.db2.gz ZPEXYDNAGPTEFD-UHFFFAOYSA-N 0 0 431.001 5.326 40 0 IKABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccoc1C)c1cccc(C)c1 ZINC000013503526 557338477 /nfs/dbraw/zinc/33/84/77/557338477.db2.gz NQORFEGXSKSKDF-HSZRJFAPSA-N 0 0 436.527 5.728 40 0 IKABRN CCC(=O)Nc1cc(NC(=O)CSc2nc3c(ccc(C)c3C)cc2CC)ccc1C ZINC000013503579 557338683 /nfs/dbraw/zinc/33/86/83/557338683.db2.gz GMTCRQAHOFRPMW-UHFFFAOYSA-N 0 0 435.593 5.802 40 0 IKABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1Br)OCO3 ZINC000013503604 557338904 /nfs/dbraw/zinc/33/89/04/557338904.db2.gz ZHJGQSDDHHVZBW-UHFFFAOYSA-N 0 0 445.338 5.019 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000222413519 557338919 /nfs/dbraw/zinc/33/89/19/557338919.db2.gz CISMVWRHAMPWJA-NRFANRHFSA-N 0 0 433.017 5.073 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl ZINC000222414298 557339177 /nfs/dbraw/zinc/33/91/77/557339177.db2.gz DQLGIJKDFKRCJS-JOCHJYFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000222414440 557339221 /nfs/dbraw/zinc/33/92/21/557339221.db2.gz KDBJPWYZPWCEKQ-JOCHJYFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222445709 557340549 /nfs/dbraw/zinc/34/05/49/557340549.db2.gz LZMWDVGHRFDZGY-XMMPIXPASA-N 0 0 438.612 5.003 40 0 IKABRN COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC000013564621 557340721 /nfs/dbraw/zinc/34/07/21/557340721.db2.gz XMNIOUVPLXMJHI-UHFFFAOYSA-N 0 0 432.373 5.305 40 0 IKABRN O=c1[nH]c2c(cc1CNc1ccc(Cl)cc1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000013564725 557340976 /nfs/dbraw/zinc/34/09/76/557340976.db2.gz AIVFTRBYBQXLQL-UHFFFAOYSA-N 0 0 444.897 5.785 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222456814 557341011 /nfs/dbraw/zinc/34/10/11/557341011.db2.gz NHGWNVUXLKJXDO-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl ZINC000222459878 557341317 /nfs/dbraw/zinc/34/13/17/557341317.db2.gz AHLDKQCTUKXDGC-JOCHJYFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222460622 557341340 /nfs/dbraw/zinc/34/13/40/557341340.db2.gz RZKODXACURNOPD-JOCHJYFZSA-N 0 0 447.044 5.463 40 0 IKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214673 557341473 /nfs/dbraw/zinc/34/14/73/557341473.db2.gz NLKSCUZZKRUJNM-NRFANRHFSA-N 0 0 439.556 5.707 40 0 IKABRN Cc1sc(NC2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000013564915 557341545 /nfs/dbraw/zinc/34/15/45/557341545.db2.gz GDHAETWGGZCFQJ-UHFFFAOYSA-N 0 0 431.605 6.374 40 0 IKABRN Cc1sc(NC2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1 ZINC000013564918 557341560 /nfs/dbraw/zinc/34/15/60/557341560.db2.gz VZTAUNIEOPJHGG-UHFFFAOYSA-N 0 0 431.605 6.374 40 0 IKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 ZINC000072215085 557341663 /nfs/dbraw/zinc/34/16/63/557341663.db2.gz NPNHRAWFVMKPJS-MRXNPFEDSA-N 0 0 435.565 5.109 40 0 IKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072215014 557341681 /nfs/dbraw/zinc/34/16/81/557341681.db2.gz NANMLYBHNIKVGM-QFIPXVFZSA-N 0 0 437.584 5.991 40 0 IKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 ZINC000072215086 557341690 /nfs/dbraw/zinc/34/16/90/557341690.db2.gz NPNHRAWFVMKPJS-INIZCTEOSA-N 0 0 435.565 5.109 40 0 IKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215168 557341709 /nfs/dbraw/zinc/34/17/09/557341709.db2.gz OEQHMZAPEUFVEV-PKOBYXMFSA-N 0 0 433.593 6.084 40 0 IKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072214914 557341751 /nfs/dbraw/zinc/34/17/51/557341751.db2.gz YGECXFBHTMSFDD-OAQYLSRUSA-N 0 0 439.556 5.705 40 0 IKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072215066 557341758 /nfs/dbraw/zinc/34/17/58/557341758.db2.gz JBPHZLYIBAVFRA-IBGZPJMESA-N 0 0 433.593 6.085 40 0 IKABRN CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1cccc2ccccc21 ZINC000013565028 557341804 /nfs/dbraw/zinc/34/18/04/557341804.db2.gz QGVVMBCTGLLJIN-UHFFFAOYSA-N 0 0 426.491 6.338 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CCC1 ZINC000072215479 557342017 /nfs/dbraw/zinc/34/20/17/557342017.db2.gz VCRCWYOYGIYDQB-JOCHJYFZSA-N 0 0 435.568 5.743 40 0 IKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072215296 557342075 /nfs/dbraw/zinc/34/20/75/557342075.db2.gz IPAAXWASOIIYNO-SIKLNZKXSA-N 0 0 437.584 5.989 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CCC1 ZINC000072215478 557342083 /nfs/dbraw/zinc/34/20/83/557342083.db2.gz VCRCWYOYGIYDQB-QFIPXVFZSA-N 0 0 435.568 5.743 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CCC1 ZINC000072215470 557342098 /nfs/dbraw/zinc/34/20/98/557342098.db2.gz OERRQKGHQVCFQD-LJQANCHMSA-N 0 0 431.577 5.838 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CCCC1 ZINC000072215598 557342237 /nfs/dbraw/zinc/34/22/37/557342237.db2.gz UYEKTUAGTQYIOR-QHCPKHFHSA-N 0 0 449.595 6.133 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CCCC1 ZINC000072215590 557342296 /nfs/dbraw/zinc/34/22/96/557342296.db2.gz PNDLBKHTDFZACA-HXUWFJFHSA-N 0 0 445.604 6.228 40 0 IKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217339 557342313 /nfs/dbraw/zinc/34/23/13/557342313.db2.gz JZSKCLDHDMZRQM-JOCHJYFZSA-N 0 0 430.639 5.731 40 0 IKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217340 557342331 /nfs/dbraw/zinc/34/23/31/557342331.db2.gz JZSKCLDHDMZRQM-QFIPXVFZSA-N 0 0 430.639 5.731 40 0 IKABRN O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1ncoc1-c1cccs1 ZINC000013565404 557342310 /nfs/dbraw/zinc/34/23/10/557342310.db2.gz OZCJJXZBDDNJFN-UHFFFAOYSA-N 0 0 433.205 5.317 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072215869 557342729 /nfs/dbraw/zinc/34/27/29/557342729.db2.gz QKKRVAXUICJGHA-QHCPKHFHSA-N 0 0 443.547 6.132 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl ZINC000222488051 557342915 /nfs/dbraw/zinc/34/29/15/557342915.db2.gz CJKZXJUNTPAXHQ-FDDCHVKYSA-N 0 0 445.003 5.003 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222492724 557343398 /nfs/dbraw/zinc/34/33/98/557343398.db2.gz RNIYJZXEPDCKTA-DEOSSOPVSA-N 0 0 438.612 5.003 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222492789 557343468 /nfs/dbraw/zinc/34/34/68/557343468.db2.gz RNIYJZXEPDCKTA-XMMPIXPASA-N 0 0 438.612 5.003 40 0 IKABRN Cc1ccsc1-c1nnc(S[C@@H]2Cc3ccccc3C2=O)nc1-c1sccc1C ZINC000013566486 557344767 /nfs/dbraw/zinc/34/47/67/557344767.db2.gz ZIPFVYWRGGWICI-MRXNPFEDSA-N 0 0 435.599 5.845 40 0 IKABRN COc1cccc(-c2nnc(SCC(=O)c3cccs3)nc2-c2cccc(OC)c2)c1 ZINC000013567030 557345674 /nfs/dbraw/zinc/34/56/74/557345674.db2.gz SLZMWFBSSDCFOW-UHFFFAOYSA-N 0 0 449.557 5.259 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 ZINC000222508325 557346191 /nfs/dbraw/zinc/34/61/91/557346191.db2.gz WHWSAPTVNUMEFO-NRFANRHFSA-N 0 0 433.017 5.154 40 0 IKABRN CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222506831 557346200 /nfs/dbraw/zinc/34/62/00/557346200.db2.gz HVYMKZBIFQXDKM-LJQANCHMSA-N 0 0 440.968 5.094 40 0 IKABRN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000013568057 557346599 /nfs/dbraw/zinc/34/65/99/557346599.db2.gz YPZFGODCJJZYPO-UHFFFAOYSA-N 0 0 444.274 5.223 40 0 IKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1cccc(OC)c1 ZINC000013568365 557347199 /nfs/dbraw/zinc/34/71/99/557347199.db2.gz WGFLXAMQFJJHNB-UHFFFAOYSA-N 0 0 444.000 5.359 40 0 IKABRN Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(F)cc2)cn1Cc1ccccc1 ZINC000013568336 557347210 /nfs/dbraw/zinc/34/72/10/557347210.db2.gz ITBOXBPTAKOARA-UHFFFAOYSA-N 0 0 445.563 6.085 40 0 IKABRN CN(c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1)S(=O)(=O)c1ccccc1 ZINC000222528673 557347580 /nfs/dbraw/zinc/34/75/80/557347580.db2.gz INDPSHVJICXIBM-UHFFFAOYSA-N 0 0 435.332 5.071 40 0 IKABRN CC[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C ZINC000222539096 557348546 /nfs/dbraw/zinc/34/85/46/557348546.db2.gz PBVCUKVYSNGUHA-DEOSSOPVSA-N 0 0 436.577 5.010 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000222544522 557349427 /nfs/dbraw/zinc/34/94/27/557349427.db2.gz GBHMVJNYZXYLBS-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl ZINC000222549756 557349910 /nfs/dbraw/zinc/34/99/10/557349910.db2.gz DIAXIYXSHRIPIH-JPYJTQIMSA-N 0 0 445.003 5.003 40 0 IKABRN CC(C)n1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3cccc4ccccc43)ccc21 ZINC000222552572 557350456 /nfs/dbraw/zinc/35/04/56/557350456.db2.gz WZSDULUHMLJYJV-UHFFFAOYSA-N 0 0 434.927 5.182 40 0 IKABRN Cc1cc(CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)c(C)n1C[C@@H]1CCCO1 ZINC000222562863 557352574 /nfs/dbraw/zinc/35/25/74/557352574.db2.gz JSFNYQRQLTUDLH-FQEVSTJZSA-N 0 0 442.991 5.140 40 0 IKABRN Cc1cc2cc(CN(CCc3ccc(Cl)cc3)C(=O)C3CCC3)c(Cl)nc2cc1C ZINC000013562024 557352534 /nfs/dbraw/zinc/35/25/34/557352534.db2.gz CUCIYGWRCQCJJG-UHFFFAOYSA-N 0 0 441.402 6.530 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CCC3)cc2c1 ZINC000013562025 557352593 /nfs/dbraw/zinc/35/25/93/557352593.db2.gz WWQNYNWCVKGAIN-UHFFFAOYSA-N 0 0 441.402 6.530 40 0 IKABRN Cc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C2CCCC2)c1C ZINC000013562272 557352809 /nfs/dbraw/zinc/35/28/09/557352809.db2.gz UALAKTKLDVXUSL-UHFFFAOYSA-N 0 0 440.012 6.666 40 0 IKABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1ccc(Cl)nc1)c1ccccc1 ZINC000013563916 557354028 /nfs/dbraw/zinc/35/40/28/557354028.db2.gz KEMAZLPRTYQBIZ-OAQYLSRUSA-N 0 0 439.918 5.177 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222580796 557355738 /nfs/dbraw/zinc/35/57/38/557355738.db2.gz WFEJNSGIIIWHMA-HNNXBMFYSA-N 0 0 439.408 5.029 40 0 IKABRN CC(C)Oc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br ZINC000222582698 557356077 /nfs/dbraw/zinc/35/60/77/557356077.db2.gz DDZAAXPGHQTUCB-MJXNMMHHSA-N 0 0 432.387 5.221 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000222587769 557356822 /nfs/dbraw/zinc/35/68/22/557356822.db2.gz OYBUDGIIRJUSPQ-HSZRJFAPSA-N 0 0 445.003 5.139 40 0 IKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222589548 557357101 /nfs/dbraw/zinc/35/71/01/557357101.db2.gz BODWZGQKQCQADV-VWLOTQADSA-N 0 0 434.580 5.378 40 0 IKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cc2Cl)S1 ZINC000222600413 557359479 /nfs/dbraw/zinc/35/94/79/557359479.db2.gz GGPAICZCBMEQKF-SVIJTADQSA-N 0 0 429.376 5.768 40 0 IKABRN COc1c(Br)cc(Cl)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222604865 557360280 /nfs/dbraw/zinc/36/02/80/557360280.db2.gz RUQXSPULNSNIPD-JQAFLVLXSA-N 0 0 438.778 5.095 40 0 IKABRN COC(=O)c1cn(C(=O)COc2ccc3ccccc3c2Br)c2ccccc12 ZINC000222610974 557361456 /nfs/dbraw/zinc/36/14/56/557361456.db2.gz IACNBCKRTCLGCY-UHFFFAOYSA-N 0 0 438.277 5.063 40 0 IKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(F)(F)F)c2)S1 ZINC000222623664 557363715 /nfs/dbraw/zinc/36/37/15/557363715.db2.gz SKIGSZINOSZADX-GKCIPKSASA-N 0 0 428.483 5.480 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222624346 557363996 /nfs/dbraw/zinc/36/39/96/557363996.db2.gz JLEBYIGHNCBTSC-JTSKRJEESA-N 0 0 449.422 5.301 40 0 IKABRN CC(C)c1ccccc1NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222625677 557364725 /nfs/dbraw/zinc/36/47/25/557364725.db2.gz UQOZACIYENSCET-UHFFFAOYSA-N 0 0 442.503 5.014 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222629593 557365277 /nfs/dbraw/zinc/36/52/77/557365277.db2.gz BMVXDBWETPTPLV-QGZVFWFLSA-N 0 0 433.017 5.154 40 0 IKABRN COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 ZINC000222629691 557365284 /nfs/dbraw/zinc/36/52/84/557365284.db2.gz YPXDUYDMYZRBNP-UHFFFAOYSA-N 0 0 437.326 6.147 40 0 IKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)S1 ZINC000222631275 557365472 /nfs/dbraw/zinc/36/54/72/557365472.db2.gz ZDEOIUGNZYMWGO-CFGAKRJMSA-N 0 0 430.360 6.238 40 0 IKABRN Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1C ZINC000222634678 557366081 /nfs/dbraw/zinc/36/60/81/557366081.db2.gz SFUWSTGRQGTUQJ-FQEVSTJZSA-N 0 0 444.641 5.025 40 0 IKABRN COc1ccc(-n2c(C)c(C)c([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 ZINC000222638494 557367009 /nfs/dbraw/zinc/36/70/09/557367009.db2.gz AFDUWHIQDBFDLX-KVFOXVCZSA-N 0 0 432.593 5.395 40 0 IKABRN COc1ccc(-n2c(C)c(C)c([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 ZINC000222638417 557367038 /nfs/dbraw/zinc/36/70/38/557367038.db2.gz AFDUWHIQDBFDLX-XXEARWCOSA-N 0 0 432.593 5.395 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222647913 557368229 /nfs/dbraw/zinc/36/82/29/557368229.db2.gz WKZDLNTVRGPJNG-XMMPIXPASA-N 0 0 426.576 5.214 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222651875 557368802 /nfs/dbraw/zinc/36/88/02/557368802.db2.gz CQFXPFNOQGFEGK-VWLOTQADSA-N 0 0 434.555 5.244 40 0 IKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC(C)C)c(OC)c3)N21 ZINC000222657820 557369395 /nfs/dbraw/zinc/36/93/95/557369395.db2.gz VMRZSJYVSBZFHU-RYGJVYDSSA-N 0 0 431.989 5.510 40 0 IKABRN CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OCC ZINC000222661716 557369966 /nfs/dbraw/zinc/36/99/66/557369966.db2.gz UIVBBVXNWZSUCK-XPGWFJOJSA-N 0 0 431.989 5.512 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222664393 557370378 /nfs/dbraw/zinc/37/03/78/557370378.db2.gz HPEFDBDKHSWBAQ-JOCHJYFZSA-N 0 0 442.603 5.541 40 0 IKABRN CCOc1ccc(Br)cc1[C@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 ZINC000222669325 557371313 /nfs/dbraw/zinc/37/13/13/557371313.db2.gz VVKUIRPLTNWJSY-CCKFTAQKSA-N 0 0 432.387 5.222 40 0 IKABRN Cc1ccccc1CN(C(=O)CSCc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C ZINC000222677400 557372455 /nfs/dbraw/zinc/37/24/55/557372455.db2.gz XWKCFKKRFXSJGN-GOSISDBHSA-N 0 0 447.044 5.214 40 0 IKABRN Cc1ccccc1CN(C(=O)CSCc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C ZINC000222677731 557372569 /nfs/dbraw/zinc/37/25/69/557372569.db2.gz PXZNAKGIVXEALR-GOSISDBHSA-N 0 0 447.044 5.214 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000222678969 557372929 /nfs/dbraw/zinc/37/29/29/557372929.db2.gz YEJRZJUGMPSVOD-MRXNPFEDSA-N 0 0 443.374 5.243 40 0 IKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000222680072 557373200 /nfs/dbraw/zinc/37/32/00/557373200.db2.gz LVUNNZNWQCYAMC-JWGURIENSA-N 0 0 438.980 5.230 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222682223 557373554 /nfs/dbraw/zinc/37/35/54/557373554.db2.gz PJXHDLNLOCACLR-NSHDSACASA-N 0 0 448.177 5.006 40 0 IKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(F)c(Cl)c3)N21 ZINC000222683604 557373846 /nfs/dbraw/zinc/37/38/46/557373846.db2.gz RLNZYHXWFPDVDK-LVXYXVKQSA-N 0 0 426.948 5.644 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000222690110 557374438 /nfs/dbraw/zinc/37/44/38/557374438.db2.gz GKSKSDGECLQISG-QFIPXVFZSA-N 0 0 449.422 5.485 40 0 IKABRN O=C(CCCSc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000222688982 557374500 /nfs/dbraw/zinc/37/45/00/557374500.db2.gz NGWSYZPWRWOKCK-UHFFFAOYSA-N 0 0 442.934 5.580 40 0 IKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(Sc4ccc(C)cc4)cc3)N21 ZINC000222689300 557374505 /nfs/dbraw/zinc/37/45/05/557374505.db2.gz GXNCZORZSHCQSE-WUMKDDEVSA-N 0 0 431.630 6.521 40 0 IKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222688424 557374529 /nfs/dbraw/zinc/37/45/29/557374529.db2.gz ZWQCZIBXPATYPZ-UHFFFAOYSA-N 0 0 431.001 5.867 40 0 IKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000222703940 557376600 /nfs/dbraw/zinc/37/66/00/557376600.db2.gz QKIQXLSLTNFAFQ-QHCPKHFHSA-N 0 0 447.579 5.387 40 0 IKABRN Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1 ZINC000072345322 557376656 /nfs/dbraw/zinc/37/66/56/557376656.db2.gz LRCLRXNETSGHEW-HSZRJFAPSA-N 0 0 444.619 5.258 40 0 IKABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000013608710 557376745 /nfs/dbraw/zinc/37/67/45/557376745.db2.gz WJJVTFPZQHTMOB-UHFFFAOYSA-N 0 0 437.517 5.035 40 0 IKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(F)(F)F)c3)N21 ZINC000222706037 557376919 /nfs/dbraw/zinc/37/69/19/557376919.db2.gz JRSPQRWYQMMQSH-MAODMQOUSA-N 0 0 442.510 5.871 40 0 IKABRN Cc1ccccc1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)(C)C ZINC000222711281 557377507 /nfs/dbraw/zinc/37/75/07/557377507.db2.gz UNGNOCRIUQUTCU-MRXNPFEDSA-N 0 0 435.395 5.176 40 0 IKABRN CCC(CC)C(=O)N1CCC(Cc2cccc(-c3ccccc3C)c2)(C(=O)N(C)C)CC1 ZINC000072345313 557377521 /nfs/dbraw/zinc/37/75/21/557377521.db2.gz MICOGBYLJPKKKR-UHFFFAOYSA-N 0 0 434.624 5.338 40 0 IKABRN Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C[C@H]3C=CCC3)CC2)c1 ZINC000072345321 557377647 /nfs/dbraw/zinc/37/76/47/557377647.db2.gz LRCLRXNETSGHEW-QHCPKHFHSA-N 0 0 444.619 5.258 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1 ZINC000222716760 557378468 /nfs/dbraw/zinc/37/84/68/557378468.db2.gz RRKOMUJNYYCFDA-UHFFFAOYSA-N 0 0 434.841 5.930 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1Cl ZINC000222716612 557378481 /nfs/dbraw/zinc/37/84/81/557378481.db2.gz TZFMMWAILPPQLI-UHFFFAOYSA-N 0 0 434.841 5.930 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000222717513 557378733 /nfs/dbraw/zinc/37/87/33/557378733.db2.gz VBFCVMXDEAMGAH-UHFFFAOYSA-N 0 0 432.372 6.444 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222719764 557378961 /nfs/dbraw/zinc/37/89/61/557378961.db2.gz ZYEHLWWGPGKDPU-UHFFFAOYSA-N 0 0 429.800 5.229 40 0 IKABRN CC[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(OC)c(C)c1 ZINC000222722927 557379276 /nfs/dbraw/zinc/37/92/76/557379276.db2.gz UJRDQFRWEDHTCT-LJQANCHMSA-N 0 0 442.353 5.566 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc(Cl)cc3Cl)ccc21 ZINC000222722170 557379382 /nfs/dbraw/zinc/37/93/82/557379382.db2.gz YFILDRKWXLRGKK-UHFFFAOYSA-N 0 0 443.399 6.993 40 0 IKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222728490 557380112 /nfs/dbraw/zinc/38/01/12/557380112.db2.gz PXPASEDVJKTYSG-GOSISDBHSA-N 0 0 440.392 5.654 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2Cl)no1 ZINC000222729633 557380373 /nfs/dbraw/zinc/38/03/73/557380373.db2.gz YEPXZUWJCQHASS-UHFFFAOYSA-N 0 0 442.755 5.246 40 0 IKABRN COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)CC(C)(C)O2 ZINC000222732106 557380601 /nfs/dbraw/zinc/38/06/01/557380601.db2.gz DRDUTOVVYLWZOM-GOSISDBHSA-N 0 0 440.392 5.654 40 0 IKABRN Cc1cccc(CN(C(=O)CCc2cccc3ccccc32)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222744159 557382186 /nfs/dbraw/zinc/38/21/86/557382186.db2.gz BNERZSRPGCOEGR-OAQYLSRUSA-N 0 0 430.592 5.413 40 0 IKABRN Cc1cccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222745796 557382292 /nfs/dbraw/zinc/38/22/92/557382292.db2.gz DXJQQKCQGOSNOW-HXUWFJFHSA-N 0 0 438.612 5.003 40 0 IKABRN Cc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628713 557382607 /nfs/dbraw/zinc/38/26/07/557382607.db2.gz MUBKRLZLRXRZKY-UHFFFAOYSA-N 0 0 445.588 5.672 40 0 IKABRN Cc1ccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222749539 557382800 /nfs/dbraw/zinc/38/28/00/557382800.db2.gz WLMHDFLLNTULOH-QGZVFWFLSA-N 0 0 433.017 5.073 40 0 IKABRN Cc1ccc(C)c(NC(=O)c2ccc(CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000113963014 557382789 /nfs/dbraw/zinc/38/27/89/557382789.db2.gz ZVFYOSOVIMVDGN-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN Cc1ccc(CN(C(=O)CCSc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222751244 557382936 /nfs/dbraw/zinc/38/29/36/557382936.db2.gz DEOMGFRFQGVRRS-HXUWFJFHSA-N 0 0 426.626 5.118 40 0 IKABRN Cc1ccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222750960 557383029 /nfs/dbraw/zinc/38/30/29/557383029.db2.gz NFKCYXONVQNRGZ-GOSISDBHSA-N 0 0 447.044 5.463 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F ZINC000222752772 557383347 /nfs/dbraw/zinc/38/33/47/557383347.db2.gz FIYXKYKQLKDYTO-HXUWFJFHSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222752609 557383399 /nfs/dbraw/zinc/38/33/99/557383399.db2.gz ITAKTRAFPXDBIM-JOCHJYFZSA-N 0 0 449.422 5.485 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000222756441 557383492 /nfs/dbraw/zinc/38/34/92/557383492.db2.gz DQHJFUCAHXPYCJ-NRFANRHFSA-N 0 0 435.395 5.258 40 0 IKABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000113965479 557383501 /nfs/dbraw/zinc/38/35/01/557383501.db2.gz ZQVCSPWRDDZVDA-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN Cc1ccc(C)c(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000113965354 557383582 /nfs/dbraw/zinc/38/35/82/557383582.db2.gz HXBVGHSRRJSNRV-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1C ZINC000113965275 557383585 /nfs/dbraw/zinc/38/35/85/557383585.db2.gz SEJBPCTZZUHVQV-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000013632406 557383572 /nfs/dbraw/zinc/38/35/72/557383572.db2.gz TVZJKWQIISNPSN-UHFFFAOYSA-N 0 0 430.548 6.278 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000222756504 557383627 /nfs/dbraw/zinc/38/36/27/557383627.db2.gz DQHJFUCAHXPYCJ-OAQYLSRUSA-N 0 0 435.395 5.258 40 0 IKABRN Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)c(Br)c1 ZINC000222760883 557383811 /nfs/dbraw/zinc/38/38/11/557383811.db2.gz RRISJSKLUYUJHI-OALUTQOASA-N 0 0 428.355 5.015 40 0 IKABRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)c(Br)c1 ZINC000222760754 557383908 /nfs/dbraw/zinc/38/39/08/557383908.db2.gz RRISJSKLUYUJHI-MOPGFXCFSA-N 0 0 428.355 5.015 40 0 IKABRN C[C@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222765688 557384062 /nfs/dbraw/zinc/38/40/62/557384062.db2.gz IXLGQDZEXBXCHP-HXUWFJFHSA-N 0 0 434.967 5.006 40 0 IKABRN C[C@@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222765486 557384125 /nfs/dbraw/zinc/38/41/25/557384125.db2.gz ZBNIDVLTVZRUQQ-FQEVSTJZSA-N 0 0 434.967 5.006 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)cc1Cl ZINC000013635342 557384218 /nfs/dbraw/zinc/38/42/18/557384218.db2.gz IVFUNDTZRMRSCM-UHFFFAOYSA-N 0 0 447.705 6.716 40 0 IKABRN Cc1cc(OS(=O)(=O)c2ccc3ccccc3c2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000011691658 557384745 /nfs/dbraw/zinc/38/47/45/557384745.db2.gz GXETUVLZAINROM-UHFFFAOYSA-N 0 0 433.316 5.408 40 0 IKABRN COc1ccc(CCC(=O)N2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)cc1 ZINC000072349359 557385041 /nfs/dbraw/zinc/38/50/41/557385041.db2.gz JRNNBMCORYLJGM-UHFFFAOYSA-N 0 0 432.539 5.159 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000222773956 557385327 /nfs/dbraw/zinc/38/53/27/557385327.db2.gz XLBRKLBVGWVEJM-MRXNPFEDSA-N 0 0 443.374 5.243 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222783488 557386550 /nfs/dbraw/zinc/38/65/50/557386550.db2.gz GBXVRWBCKXRPMN-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222783092 557386567 /nfs/dbraw/zinc/38/65/67/557386567.db2.gz VISLIAXOCMFVGQ-MRXNPFEDSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1ccc(SCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222787108 557387096 /nfs/dbraw/zinc/38/70/96/557387096.db2.gz FEVYZATVRQOWON-GOSISDBHSA-N 0 0 447.044 5.463 40 0 IKABRN O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000222800118 557387814 /nfs/dbraw/zinc/38/78/14/557387814.db2.gz WPXHUKIEISTHNK-UHFFFAOYSA-N 0 0 427.375 5.675 40 0 IKABRN CC(C)c1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222812986 557389470 /nfs/dbraw/zinc/38/94/70/557389470.db2.gz TTYINBPFOOAOIX-GOSISDBHSA-N 0 0 445.003 5.174 40 0 IKABRN CC(C)c1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222812934 557389519 /nfs/dbraw/zinc/38/95/19/557389519.db2.gz TTYINBPFOOAOIX-SFHVURJKSA-N 0 0 445.003 5.174 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222830055 557391085 /nfs/dbraw/zinc/39/10/85/557391085.db2.gz ZPIQUSGDZFNEMZ-AWEZNQCLSA-N 0 0 441.786 5.480 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2CC)cc1 ZINC000013871459 557392323 /nfs/dbraw/zinc/39/23/23/557392323.db2.gz IGXCGSYBIGRGLB-CQSZACIVSA-N 0 0 436.408 6.600 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3Cl)n2CC)cc1 ZINC000013871529 557392361 /nfs/dbraw/zinc/39/23/61/557392361.db2.gz RLNSEXCLAZLXKQ-OAHLLOKOSA-N 0 0 444.988 5.385 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2CC)cc1 ZINC000013871525 557392388 /nfs/dbraw/zinc/39/23/88/557392388.db2.gz MZXWHUDDDUJHPU-OAHLLOKOSA-N 0 0 444.988 5.385 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2CC)cc1 ZINC000013871522 557392430 /nfs/dbraw/zinc/39/24/30/557392430.db2.gz MGHUXWZLQIMMDS-HNNXBMFYSA-N 0 0 444.988 5.385 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(CC)cc3)n2CC)cc1 ZINC000013871557 557392522 /nfs/dbraw/zinc/39/25/22/557392522.db2.gz DALOOBJOAKEHEH-KRWDZBQOSA-N 0 0 438.597 5.294 40 0 IKABRN Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)CCc2ccccc2)cc1 ZINC000222842037 557392578 /nfs/dbraw/zinc/39/25/78/557392578.db2.gz XMLRAGPQKUHEHL-NRFANRHFSA-N 0 0 448.994 5.315 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000222841673 557392620 /nfs/dbraw/zinc/39/26/20/557392620.db2.gz KBATUKIETVIYPJ-WOJBJXKFSA-N 0 0 441.398 5.016 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(CC)cc3)n2CC)cc1 ZINC000013871556 557392628 /nfs/dbraw/zinc/39/26/28/557392628.db2.gz DALOOBJOAKEHEH-QGZVFWFLSA-N 0 0 438.597 5.294 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2CC)cc1 ZINC000013871546 557392634 /nfs/dbraw/zinc/39/26/34/557392634.db2.gz GPGGQIHKKJGGSC-SFHVURJKSA-N 0 0 438.597 5.348 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2CC)cc1 ZINC000013871551 557392646 /nfs/dbraw/zinc/39/26/46/557392646.db2.gz WKUKAAKHOBMVIM-GOSISDBHSA-N 0 0 438.597 5.348 40 0 IKABRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000013879585 557392829 /nfs/dbraw/zinc/39/28/29/557392829.db2.gz QNIILGUAUFKQHO-UHFFFAOYSA-N 0 0 444.988 5.186 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1Cl ZINC000222844440 557392873 /nfs/dbraw/zinc/39/28/73/557392873.db2.gz NCRGROVZQKSOGI-ROUUACIJSA-N 0 0 436.939 5.545 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222845727 557393162 /nfs/dbraw/zinc/39/31/62/557393162.db2.gz XDMUUKMZFMTPLQ-WOJBJXKFSA-N 0 0 429.998 5.860 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222846642 557393175 /nfs/dbraw/zinc/39/31/75/557393175.db2.gz WDTASKXIXOXWRB-PMACEKPBSA-N 0 0 442.382 5.485 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2C)c1 ZINC000222849377 557393724 /nfs/dbraw/zinc/39/37/24/557393724.db2.gz NUUBAKQPXCXXRS-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222849084 557393786 /nfs/dbraw/zinc/39/37/86/557393786.db2.gz CFFPAYBQLDBDOB-QGZVFWFLSA-N 0 0 435.395 5.116 40 0 IKABRN CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222852917 557394503 /nfs/dbraw/zinc/39/45/03/557394503.db2.gz ZKAPSHAOIFYYSA-GOSISDBHSA-N 0 0 445.003 5.174 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc4ccccc43)cc2C)cc1 ZINC000222855508 557394752 /nfs/dbraw/zinc/39/47/52/557394752.db2.gz PAQUVXAXSNOFJJ-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc4ccccc43)c2C)cc1 ZINC000222855131 557394796 /nfs/dbraw/zinc/39/47/96/557394796.db2.gz KQPBCKDBJOMNDR-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C ZINC000013842461 557395002 /nfs/dbraw/zinc/39/50/02/557395002.db2.gz RJJMPAJYZOOGQY-UHFFFAOYSA-N 0 0 444.988 5.210 40 0 IKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000013842671 557395032 /nfs/dbraw/zinc/39/50/32/557395032.db2.gz SLMFWTPJHAZFIL-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1CC ZINC000013842683 557395089 /nfs/dbraw/zinc/39/50/89/557395089.db2.gz VTXXLFBJYKRVQC-UHFFFAOYSA-N 0 0 438.597 5.294 40 0 IKABRN Cc1c(OC(=O)c2ccccc2)ccc2c1C=C[C@]1(C)[C@@H]2CC[C@H]1[C@H](C)CCCC(C)C ZINC000025549053 557395528 /nfs/dbraw/zinc/39/55/28/557395528.db2.gz VIXDHGDNWWEKMR-DDCZRDCQSA-N 0 0 430.632 8.203 40 0 IKABRN Cc1cc(C)cc(CSCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222865450 557395776 /nfs/dbraw/zinc/39/57/76/557395776.db2.gz IPWLOVRNAGOPOE-IBGZPJMESA-N 0 0 444.616 5.008 40 0 IKABRN O=C(NCc1cccc2ccccc21)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000222876232 557396645 /nfs/dbraw/zinc/39/66/45/557396645.db2.gz VMUDNZHMBVSOCH-UHFFFAOYSA-N 0 0 427.375 5.675 40 0 IKABRN O=C(NCc1cccc2ccccc21)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000222876331 557396677 /nfs/dbraw/zinc/39/66/77/557396677.db2.gz KHTHPGWNXQGLIY-UHFFFAOYSA-N 0 0 427.375 5.675 40 0 IKABRN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccccc1OCc1ccccc1 ZINC000013928531 557396835 /nfs/dbraw/zinc/39/68/35/557396835.db2.gz XKGHHCDNLNULQN-ZHZULCJRSA-N 0 0 434.289 5.373 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222891230 557399027 /nfs/dbraw/zinc/39/90/27/557399027.db2.gz NJWUBKDOZJDNNO-VQTJNVASSA-N 0 0 429.998 5.862 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222893847 557399585 /nfs/dbraw/zinc/39/95/85/557399585.db2.gz HVWKCPYBLKGGGO-PMACEKPBSA-N 0 0 432.376 6.031 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c(C)c1 ZINC000013981237 557399776 /nfs/dbraw/zinc/39/97/76/557399776.db2.gz BLEQQFUQNFVIOS-RIYZIHGNSA-N 0 0 440.952 5.410 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222894408 557399845 /nfs/dbraw/zinc/39/98/45/557399845.db2.gz WTEMCKFANLCLME-PMACEKPBSA-N 0 0 432.376 6.031 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222894265 557399889 /nfs/dbraw/zinc/39/98/89/557399889.db2.gz OZPLLYUCIJVSPY-VQTJNVASSA-N 0 0 432.376 6.031 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222895050 557399928 /nfs/dbraw/zinc/39/99/28/557399928.db2.gz XJLLDUHIXSUSQK-AREMUKBSSA-N 0 0 446.591 5.113 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000013981731 557400133 /nfs/dbraw/zinc/40/01/33/557400133.db2.gz IUKLYQNSRIKACH-UHFFFAOYSA-N 0 0 428.513 5.407 40 0 IKABRN O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(Cl)cc1Cl ZINC000013992051 557400467 /nfs/dbraw/zinc/40/04/67/557400467.db2.gz NQKQIGOCDSGECG-UHFFFAOYSA-N 0 0 432.288 5.673 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222901928 557400949 /nfs/dbraw/zinc/40/09/49/557400949.db2.gz JXQNUTLMXFVIRB-QFIPXVFZSA-N 0 0 447.044 5.197 40 0 IKABRN COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1cccc(Cl)c1 ZINC000013995209 557401045 /nfs/dbraw/zinc/40/10/45/557401045.db2.gz DCKVUPNHJDOTSQ-RBZFPXEDSA-N 0 0 443.956 5.122 40 0 IKABRN COc1cc([C@H]2S[C@@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1cccc(Cl)c1 ZINC000013995212 557401096 /nfs/dbraw/zinc/40/10/96/557401096.db2.gz DCKVUPNHJDOTSQ-RNODOKPDSA-N 0 0 443.956 5.122 40 0 IKABRN COc1cc([C@H]2S[C@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccccc1Cl ZINC000013995229 557401399 /nfs/dbraw/zinc/40/13/99/557401399.db2.gz UBLNCNSKHJWTLR-ZUOKHONESA-N 0 0 443.956 5.122 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222909528 557401496 /nfs/dbraw/zinc/40/14/96/557401496.db2.gz ZMMWCZXTPDPTGN-QFIPXVFZSA-N 0 0 449.422 5.506 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222909030 557401505 /nfs/dbraw/zinc/40/15/05/557401505.db2.gz DYUQFSBZFIGBDJ-SFTDATJTSA-N 0 0 433.606 5.111 40 0 IKABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000222911243 557401717 /nfs/dbraw/zinc/40/17/17/557401717.db2.gz PSTWASKRAWKZJG-JJWXFRNXSA-N 0 0 430.548 5.232 40 0 IKABRN COc1cccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1OC ZINC000013995358 557401726 /nfs/dbraw/zinc/40/17/26/557401726.db2.gz UQYJHHINUISCIB-XCLFUZPHSA-N 0 0 443.956 5.015 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222910803 557401742 /nfs/dbraw/zinc/40/17/42/557401742.db2.gz ODQSOEQUYQRMAL-NHCUHLMSSA-N 0 0 428.964 5.293 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000222917438 557402238 /nfs/dbraw/zinc/40/22/38/557402238.db2.gz WENAJUAQUBHHNK-OAQYLSRUSA-N 0 0 438.008 5.984 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000222918848 557402607 /nfs/dbraw/zinc/40/26/07/557402607.db2.gz XPLSNVDUFXGZNV-VWLOTQADSA-N 0 0 444.575 5.710 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000222920497 557402925 /nfs/dbraw/zinc/40/29/25/557402925.db2.gz ZZIGBFNBIHLSFR-HSZRJFAPSA-N 0 0 429.004 5.452 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222924763 557403633 /nfs/dbraw/zinc/40/36/33/557403633.db2.gz HXPDHOWGWKLELV-FQEVSTJZSA-N 0 0 448.994 5.415 40 0 IKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118912503 557404603 /nfs/dbraw/zinc/40/46/03/557404603.db2.gz FFLGORGANMRISQ-FVKRCMCYSA-N 0 0 432.733 7.076 40 0 IKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3CC[C@@]2(O)C1 ZINC000118912637 557404640 /nfs/dbraw/zinc/40/46/40/557404640.db2.gz XGBHFLNWQIPOQW-DAECALLPSA-N 0 0 446.716 7.154 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@H]2O ZINC000118913480 557404976 /nfs/dbraw/zinc/40/49/76/557404976.db2.gz IVXHYDUXTYURSY-MWTCWPBVSA-N 0 0 446.553 6.383 40 0 IKABRN Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)ccc1Cl ZINC000222934272 557405012 /nfs/dbraw/zinc/40/50/12/557405012.db2.gz DAFIHYSMFLDSDV-FGZHOGPDSA-N 0 0 425.001 5.463 40 0 IKABRN C/C(=C\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 ZINC000118915969 557405783 /nfs/dbraw/zinc/40/57/83/557405783.db2.gz KGICHBLSYNZKLD-UWSUWAIJSA-N 0 0 446.719 8.446 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000222938745 557405779 /nfs/dbraw/zinc/40/57/79/557405779.db2.gz YCAKVPMTEKXWSG-YADHBBJMSA-N 0 0 425.569 5.569 40 0 IKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222940791 557406014 /nfs/dbraw/zinc/40/60/14/557406014.db2.gz IOXJWWBEKOMBTF-FCHUYYIVSA-N 0 0 425.985 5.932 40 0 IKABRN CCCCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118916875 557406067 /nfs/dbraw/zinc/40/60/67/557406067.db2.gz RNIJCNIWUSGVHJ-YRXNUGOGSA-N 0 0 442.772 9.213 40 0 IKABRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222940739 557406073 /nfs/dbraw/zinc/40/60/73/557406073.db2.gz IOXJWWBEKOMBTF-YADHBBJMSA-N 0 0 425.985 5.932 40 0 IKABRN COC(=O)CCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924166 557406249 /nfs/dbraw/zinc/40/62/49/557406249.db2.gz OYPYMNFOUYYNKV-QHKUEKRWSA-N 0 0 432.601 5.099 40 0 IKABRN Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222943809 557406550 /nfs/dbraw/zinc/40/65/50/557406550.db2.gz VGVOGOUBJXVLLC-MRXNPFEDSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222943741 557406568 /nfs/dbraw/zinc/40/65/68/557406568.db2.gz VGVOGOUBJXVLLC-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O[N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925031 557406540 /nfs/dbraw/zinc/40/65/40/557406540.db2.gz YYFZLFRYFOLELG-QGCYDVEPSA-N 0 0 431.661 7.605 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=C1C)CC[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000118931322 557407123 /nfs/dbraw/zinc/40/71/23/557407123.db2.gz VWSVBIDALISGLC-UFRMYEDUSA-N 0 0 442.728 8.350 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=C1C)CC[C@H]1[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000118931319 557407172 /nfs/dbraw/zinc/40/71/72/557407172.db2.gz VWSVBIDALISGLC-XTLQAHLNSA-N 0 0 442.728 8.350 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118930833 557407190 /nfs/dbraw/zinc/40/71/90/557407190.db2.gz PHLIUSDPFOUISN-SJQQJJQDSA-N 0 0 430.717 8.039 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C(=O)OC(C)(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118930478 557407201 /nfs/dbraw/zinc/40/72/01/557407201.db2.gz CCIXUKKJUQWDOM-YXHPPUAUSA-N 0 0 444.656 6.475 40 0 IKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930067 557407208 /nfs/dbraw/zinc/40/72/08/557407208.db2.gz PGRKJDDEUNIWAZ-ACVICXQNSA-N 0 0 431.661 6.993 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OC(=O)C5CCCCC5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118932267 557407386 /nfs/dbraw/zinc/40/73/86/557407386.db2.gz UCQQTYPFMHIJRO-MAIKWSJFSA-N 0 0 444.656 6.453 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)CCC(F)(F)F)[C@@]4(C)CC[C@@H]32)C1 ZINC000118933516 557407411 /nfs/dbraw/zinc/40/74/11/557407411.db2.gz FSIYIALQTPKKEU-NKPDLQHQSA-N 0 0 442.562 6.489 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](OC(=O)C5CCCCC5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118932266 557407458 /nfs/dbraw/zinc/40/74/58/557407458.db2.gz UCQQTYPFMHIJRO-HASQAJKZSA-N 0 0 444.656 6.453 40 0 IKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222953958 557407604 /nfs/dbraw/zinc/40/76/04/557407604.db2.gz ANUZZIGHGDWMEO-SFTDATJTSA-N 0 0 433.606 5.255 40 0 IKABRN 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5.437 40 0 IKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000222956784 557408195 /nfs/dbraw/zinc/40/81/95/557408195.db2.gz QXXZQFWOKNFYEJ-SANMLTNESA-N 0 0 442.603 5.395 40 0 IKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000222956736 557408222 /nfs/dbraw/zinc/40/82/22/557408222.db2.gz QXXZQFWOKNFYEJ-AREMUKBSSA-N 0 0 442.603 5.395 40 0 IKABRN C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000222965708 557408954 /nfs/dbraw/zinc/40/89/54/557408954.db2.gz DPGFOASYJBOQFA-FQEVSTJZSA-N 0 0 431.601 6.228 40 0 IKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000222970396 557409850 /nfs/dbraw/zinc/40/98/50/557409850.db2.gz BUHTVUBKTPHAIK-UHFFFAOYSA-N 0 0 433.895 5.638 40 0 IKABRN C[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222975878 557410437 /nfs/dbraw/zinc/41/04/37/557410437.db2.gz ZAJVTNPOCGDNOP-KRWDZBQOSA-N 0 0 428.979 5.447 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222984289 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CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000014155109 557426816 /nfs/dbraw/zinc/42/68/16/557426816.db2.gz DASACHHUULYJKX-UHFFFAOYSA-N 0 0 426.563 5.078 40 0 IKABRN CC[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223081520 557427964 /nfs/dbraw/zinc/42/79/64/557427964.db2.gz YZCDODWQEPJJSC-NRFANRHFSA-N 0 0 430.386 5.591 40 0 IKABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000014269108 557428234 /nfs/dbraw/zinc/42/82/34/557428234.db2.gz LGMDLMKUUCMNDU-UHFFFAOYSA-N 0 0 448.931 5.549 40 0 IKABRN CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc2c(c1)CCCC2 ZINC000223081999 557428239 /nfs/dbraw/zinc/42/82/39/557428239.db2.gz GWTRZVSOGDZUMJ-JOCHJYFZSA-N 0 0 444.413 6.098 40 0 IKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)cc4Cl)ccc32)c1 ZINC000223083460 557428359 /nfs/dbraw/zinc/42/83/59/557428359.db2.gz ACBFNBFVEGHTQR-UHFFFAOYSA-N 0 0 439.342 6.147 40 0 IKABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000014269302 557428447 /nfs/dbraw/zinc/42/84/47/557428447.db2.gz NDYZINMYXGSWKD-UHFFFAOYSA-N 0 0 440.572 5.411 40 0 IKABRN O=C(NC(=S)Nc1ccc(Br)cc1)c1cccc(OCc2ccccc2)c1 ZINC000014269521 557428710 /nfs/dbraw/zinc/42/87/10/557428710.db2.gz JAUQPMMXQFWHOB-UHFFFAOYSA-N 0 0 441.350 5.155 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1nccs1 ZINC000223085913 557428830 /nfs/dbraw/zinc/42/88/30/557428830.db2.gz JSWIITSIDVVCJH-RTWAWAEBSA-N 0 0 437.638 5.251 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccncc1 ZINC000223085714 557428837 /nfs/dbraw/zinc/42/88/37/557428837.db2.gz RDONNVHAQOBAAP-LOSJGSFVSA-N 0 0 445.636 5.248 40 0 IKABRN COc1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014269766 557428878 /nfs/dbraw/zinc/42/88/78/557428878.db2.gz UVEHOYPUVWNPDE-DHZHZOJOSA-N 0 0 447.343 5.788 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1cccnc1 ZINC000223085382 557428909 /nfs/dbraw/zinc/42/89/09/557428909.db2.gz GOFWYMMOSIIXQE-RPBOFIJWSA-N 0 0 445.636 5.248 40 0 IKABRN CCc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000014269758 557428931 /nfs/dbraw/zinc/42/89/31/557428931.db2.gz XUNBBSLCMZGAPS-FMIVXFBMSA-N 0 0 445.371 6.342 40 0 IKABRN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014269964 557429136 /nfs/dbraw/zinc/42/91/36/557429136.db2.gz UGXVYASMSLDJCQ-UHFFFAOYSA-N 0 0 443.714 6.173 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 ZINC000014269883 557429216 /nfs/dbraw/zinc/42/92/16/557429216.db2.gz SBVXDZHCJBOUSO-UHFFFAOYSA-N 0 0 443.572 6.307 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000223087352 557429361 /nfs/dbraw/zinc/42/93/61/557429361.db2.gz LFWYLHUYRPOJRB-UHFFFAOYSA-N 0 0 444.015 6.819 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(C)c(C)c1 ZINC000014270029 557429400 /nfs/dbraw/zinc/42/94/00/557429400.db2.gz KQTZQTJZRARCMF-UHFFFAOYSA-N 0 0 443.366 5.355 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223087799 557429386 /nfs/dbraw/zinc/42/93/86/557429386.db2.gz ZUTFSLRAZTVSPN-WOJBJXKFSA-N 0 0 444.616 5.008 40 0 IKABRN Cc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1C ZINC000014270108 557429429 /nfs/dbraw/zinc/42/94/29/557429429.db2.gz IXQBQDGTISFAHS-VQHVLOKHSA-N 0 0 445.371 6.397 40 0 IKABRN COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223088574 557429673 /nfs/dbraw/zinc/42/96/73/557429673.db2.gz FQFIJRPYBPTVJQ-ZEQRLZLVSA-N 0 0 432.593 5.186 40 0 IKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000014270245 557429756 /nfs/dbraw/zinc/42/97/56/557429756.db2.gz VOMVCKAZTMKOQS-UHFFFAOYSA-N 0 0 447.516 5.034 40 0 IKABRN CCCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000014270636 557429829 /nfs/dbraw/zinc/42/98/29/557429829.db2.gz WOVKXKYWWFYSME-UHFFFAOYSA-N 0 0 445.544 5.088 40 0 IKABRN COc1ccc(CN(C(=O)CCc2cccc3ccccc32)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223090281 557429872 /nfs/dbraw/zinc/42/98/72/557429872.db2.gz LXFRZKLZNFUYTH-HXUWFJFHSA-N 0 0 446.591 5.113 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000014270495 557429932 /nfs/dbraw/zinc/42/99/32/557429932.db2.gz ITEGVPRGHDOAKG-UHFFFAOYSA-N 0 0 447.585 5.716 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223092639 557430070 /nfs/dbraw/zinc/43/00/70/557430070.db2.gz DGWWEQCQIFVNCI-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223092301 557430121 /nfs/dbraw/zinc/43/01/21/557430121.db2.gz OXBMKLBNBZMZNG-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000014270650 557430053 /nfs/dbraw/zinc/43/00/53/557430053.db2.gz JVHDLKIAPODWPQ-UHFFFAOYSA-N 0 0 443.572 5.597 40 0 IKABRN COc1cc2sc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)nc2cc1Cl ZINC000014270846 557430103 /nfs/dbraw/zinc/43/01/03/557430103.db2.gz SGYSDUUQLOBSIC-UHFFFAOYSA-N 0 0 449.985 5.120 40 0 IKABRN Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)cc4Cl)c3)oc2c1 ZINC000014270718 557430111 /nfs/dbraw/zinc/43/01/11/557430111.db2.gz ULQUQMXHDAUQBT-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nc4ccc(F)cc4s3)o2)cc1Cl ZINC000014270775 557430140 /nfs/dbraw/zinc/43/01/40/557430140.db2.gz NMDMAMYRFGXZNX-UHFFFAOYSA-N 0 0 445.928 5.784 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000223093471 557430292 /nfs/dbraw/zinc/43/02/92/557430292.db2.gz AVJPQAPJTQNDOY-HHHXNRCGSA-N 0 0 445.628 6.618 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccccc1 ZINC000223094006 557430359 /nfs/dbraw/zinc/43/03/59/557430359.db2.gz OSDDFGSBJDAYLB-CLJLJLNGSA-N 0 0 444.648 5.853 40 0 IKABRN O=C(NC(=S)Nc1ccccc1OC(F)F)c1sc2cc(Cl)ccc2c1Cl ZINC000014271099 557430345 /nfs/dbraw/zinc/43/03/45/557430345.db2.gz BFLMIHVXCCAOFY-UHFFFAOYSA-N 0 0 447.315 5.936 40 0 IKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 ZINC000014271119 557430362 /nfs/dbraw/zinc/43/03/62/557430362.db2.gz PXOFLKKGNSNQKM-UHFFFAOYSA-N 0 0 441.984 5.881 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223095142 557430589 /nfs/dbraw/zinc/43/05/89/557430589.db2.gz NAJSKZYCRKJOLY-AREMUKBSSA-N 0 0 428.576 5.070 40 0 IKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccc2c(Cl)cccc12 ZINC000014272001 557431262 /nfs/dbraw/zinc/43/12/62/557431262.db2.gz XOKMNTGTLYPUBY-UHFFFAOYSA-N 0 0 449.362 7.676 40 0 IKABRN Cc1ccc2oc(-c3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3Cl)nc2c1 ZINC000014272164 557431469 /nfs/dbraw/zinc/43/14/69/557431469.db2.gz FALFBLDHRZWTOM-UHFFFAOYSA-N 0 0 447.321 7.516 40 0 IKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2c1 ZINC000014272203 557431509 /nfs/dbraw/zinc/43/15/09/557431509.db2.gz FNXKTIMWRLREBH-UHFFFAOYSA-N 0 0 447.321 7.516 40 0 IKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000014272320 557431653 /nfs/dbraw/zinc/43/16/53/557431653.db2.gz ZROWEYPDVYXREI-UHFFFAOYSA-N 0 0 442.559 7.177 40 0 IKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4Cl)c3)nc2c1 ZINC000014272225 557431673 /nfs/dbraw/zinc/43/16/73/557431673.db2.gz GEGDNALEUYTFRP-UHFFFAOYSA-N 0 0 441.314 6.382 40 0 IKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000014272348 557431685 /nfs/dbraw/zinc/43/16/85/557431685.db2.gz WLFVTRYXFXGXJS-UHFFFAOYSA-N 0 0 444.531 6.666 40 0 IKABRN CCc1ccc2oc(-c3cccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)c3)nc2c1 ZINC000014272298 557431709 /nfs/dbraw/zinc/43/17/09/557431709.db2.gz KUXYWLFPUTZWCN-UHFFFAOYSA-N 0 0 444.384 5.875 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000223104485 557431787 /nfs/dbraw/zinc/43/17/87/557431787.db2.gz XNOPRCVVTSFJAZ-NSHDSACASA-N 0 0 431.717 5.095 40 0 IKABRN Cc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1Cl ZINC000223104836 557431823 /nfs/dbraw/zinc/43/18/23/557431823.db2.gz NLVCUCKWQGFZTC-LLVKDONJSA-N 0 0 431.717 5.095 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000014272454 557431870 /nfs/dbraw/zinc/43/18/70/557431870.db2.gz NRBWOEHVPAVALA-UHFFFAOYSA-N 0 0 441.350 6.090 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc2ccc(Cl)cc2s1 ZINC000014272443 557431905 /nfs/dbraw/zinc/43/19/05/557431905.db2.gz YDDDWORYROYBQL-ZZXKWVIFSA-N 0 0 449.746 7.168 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000014272475 557431913 /nfs/dbraw/zinc/43/19/13/557431913.db2.gz NPRFUELEHRATPH-UHFFFAOYSA-N 0 0 442.584 7.029 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c(F)c1F ZINC000014272550 557431938 /nfs/dbraw/zinc/43/19/38/557431938.db2.gz WKIZVMLXSRPUQL-UHFFFAOYSA-N 0 0 444.384 5.929 40 0 IKABRN O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000014272632 557432172 /nfs/dbraw/zinc/43/21/72/557432172.db2.gz NIWWIIGIPPNIKR-UHFFFAOYSA-N 0 0 447.705 6.473 40 0 IKABRN CCC1(CC)C[C@H](NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c2ccccc2O1 ZINC000223106721 557432277 /nfs/dbraw/zinc/43/22/77/557432277.db2.gz ODPNTXZQJNEOKU-QHCPKHFHSA-N 0 0 449.978 6.731 40 0 IKABRN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)cc1I ZINC000014272952 557432325 /nfs/dbraw/zinc/43/23/25/557432325.db2.gz GVZFWOZQZQUEAX-UHFFFAOYSA-N 0 0 443.712 5.358 40 0 IKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4)cc3n2)c(C)c1 ZINC000014272787 557432334 /nfs/dbraw/zinc/43/23/34/557432334.db2.gz QRUWRVCHYAAIGI-UHFFFAOYSA-N 0 0 447.970 5.789 40 0 IKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Cl)cc3n2)c(C)c1 ZINC000014272808 557432356 /nfs/dbraw/zinc/43/23/56/557432356.db2.gz ZTNVQHPMNRCNKV-UHFFFAOYSA-N 0 0 447.970 5.789 40 0 IKABRN CCc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4C)nc3cc2C)cc1 ZINC000014272806 557432385 /nfs/dbraw/zinc/43/23/85/557432385.db2.gz CDTLAXWPEFUKOY-UHFFFAOYSA-N 0 0 441.579 5.698 40 0 IKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc(Br)c1 ZINC000014272763 557432395 /nfs/dbraw/zinc/43/23/95/557432395.db2.gz JVLJXNYZUPYDPL-UHFFFAOYSA-N 0 0 449.352 5.867 40 0 IKABRN COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000014273029 557432607 /nfs/dbraw/zinc/43/26/07/557432607.db2.gz DFYDERUVZCKPPK-MDWZMJQESA-N 0 0 441.314 5.906 40 0 IKABRN O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000014272972 557432661 /nfs/dbraw/zinc/43/26/61/557432661.db2.gz VJLJQMFLPWWZBH-UHFFFAOYSA-N 0 0 445.527 6.922 40 0 IKABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223108984 557432719 /nfs/dbraw/zinc/43/27/19/557432719.db2.gz OZWCUZMAFSQNQU-BJKOFHAPSA-N 0 0 432.593 5.186 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(Cl)cc1 ZINC000223108877 557432747 /nfs/dbraw/zinc/43/27/47/557432747.db2.gz PMEBMCNCZUTIHV-LJQANCHMSA-N 0 0 439.408 5.029 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)c1Cl ZINC000014273204 557432777 /nfs/dbraw/zinc/43/27/77/557432777.db2.gz ZOSGUKILLNGOEA-UHFFFAOYSA-N 0 0 449.765 6.267 40 0 IKABRN C[C@@H](NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000014273206 557432787 /nfs/dbraw/zinc/43/27/87/557432787.db2.gz PIRKVKAZPVUSRJ-FOVXMVQYSA-N 0 0 444.402 6.988 40 0 IKABRN NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCC2 ZINC000014273353 557433046 /nfs/dbraw/zinc/43/30/46/557433046.db2.gz FBMVQYNXFNZRGW-CSKARUKUSA-N 0 0 447.343 5.554 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000014273305 557433050 /nfs/dbraw/zinc/43/30/50/557433050.db2.gz OJLOKQCCIPWUSV-INIZCTEOSA-N 0 0 442.625 5.313 40 0 IKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc4c(Cl)cccc34)c2C(N)=O)C1 ZINC000014273312 557433057 /nfs/dbraw/zinc/43/30/57/557433057.db2.gz UBBFWNYAEHVUGC-ZDUSSCGKSA-N 0 0 440.996 6.057 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1C1CCCCC1 ZINC000223111679 557433223 /nfs/dbraw/zinc/43/32/23/557433223.db2.gz VUPXBOOJWIZGQF-YADHBBJMSA-N 0 0 438.000 5.226 40 0 IKABRN CC(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 ZINC000014273522 557433244 /nfs/dbraw/zinc/43/32/44/557433244.db2.gz PBBLFQOWUZZPEY-UHFFFAOYSA-N 0 0 442.346 5.067 40 0 IKABRN CC1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2Cl)CC1 ZINC000014273682 557433277 /nfs/dbraw/zinc/43/32/77/557433277.db2.gz PLYANJRCQHVCHU-UHFFFAOYSA-N 0 0 441.015 6.642 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCCC1 ZINC000223114239 557433488 /nfs/dbraw/zinc/43/34/88/557433488.db2.gz JAAHLTPXMFFDOW-GOTSBHOMSA-N 0 0 437.996 6.300 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223116607 557433870 /nfs/dbraw/zinc/43/38/70/557433870.db2.gz VBVZQEZPCHDWGP-UXHICEINSA-N 0 0 440.603 5.388 40 0 IKABRN CCCCN1c2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2S(=O)(=O)N=C1C ZINC000223118484 557434133 /nfs/dbraw/zinc/43/41/33/557434133.db2.gz VPGLSVCNCYWOOT-UHFFFAOYSA-N 0 0 427.570 5.098 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000014291412 557434470 /nfs/dbraw/zinc/43/44/70/557434470.db2.gz ZGTKOOYRLISTRN-VQHVLOKHSA-N 0 0 430.287 6.082 40 0 IKABRN CCC1(CC)C[C@H](NC(=O)c2ccc(I)cc2)c2ccccc2O1 ZINC000223124262 557435058 /nfs/dbraw/zinc/43/50/58/557435058.db2.gz DISSLWFDGAKSFG-KRWDZBQOSA-N 0 0 435.305 5.104 40 0 IKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000014396698 557435246 /nfs/dbraw/zinc/43/52/46/557435246.db2.gz CIWFYRMNMKHLOG-LJQANCHMSA-N 0 0 428.381 5.209 40 0 IKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000014397041 557435389 /nfs/dbraw/zinc/43/53/89/557435389.db2.gz BXULVLZRRDSAGL-IBGZPJMESA-N 0 0 430.548 5.320 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(C)c1Cl ZINC000014397375 557435455 /nfs/dbraw/zinc/43/54/55/557435455.db2.gz VJVZMIDNINJWDK-INIZCTEOSA-N 0 0 440.893 5.092 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000223126910 557435470 /nfs/dbraw/zinc/43/54/70/557435470.db2.gz VDYGMZNHUYUOGO-RUZDIDTESA-N 0 0 448.994 5.396 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc(C)c1Cl ZINC000014397735 557435678 /nfs/dbraw/zinc/43/56/78/557435678.db2.gz NWNVLLPUFVGWOG-SFHVURJKSA-N 0 0 428.960 5.379 40 0 IKABRN CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC ZINC000223129514 557435903 /nfs/dbraw/zinc/43/59/03/557435903.db2.gz CJBAXTRPYNZMPF-QHCPKHFHSA-N 0 0 429.004 5.386 40 0 IKABRN COc1ccc(OCCCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000014398336 557435934 /nfs/dbraw/zinc/43/59/34/557435934.db2.gz KRLPYZFIVAPQAS-UHFFFAOYSA-N 0 0 428.381 5.211 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C ZINC000223129660 557436260 /nfs/dbraw/zinc/43/62/60/557436260.db2.gz PYHKMRFLSNDWFQ-HSZRJFAPSA-N 0 0 429.004 5.242 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223134521 557436872 /nfs/dbraw/zinc/43/68/72/557436872.db2.gz CGFGEIPAVXDILQ-JOCHJYFZSA-N 0 0 429.004 5.124 40 0 IKABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223134135 557436883 /nfs/dbraw/zinc/43/68/83/557436883.db2.gz OGJSRTKSWHYDLM-HSZRJFAPSA-N 0 0 429.004 5.242 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223135827 557437302 /nfs/dbraw/zinc/43/73/02/557437302.db2.gz ADGOSTBAXRLLII-NRFANRHFSA-N 0 0 447.044 5.544 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223135212 557437335 /nfs/dbraw/zinc/43/73/35/557437335.db2.gz HNCUZWPLZHJGPH-NRFANRHFSA-N 0 0 447.044 5.295 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223135436 557437383 /nfs/dbraw/zinc/43/73/83/557437383.db2.gz XUZBKUCAPXFBJW-OAQYLSRUSA-N 0 0 447.044 5.295 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000015411319 557437914 /nfs/dbraw/zinc/43/79/14/557437914.db2.gz IEKRFIMXVUCGLO-UHFFFAOYSA-N 0 0 447.771 5.074 40 0 IKABRN CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408820352 557438050 /nfs/dbraw/zinc/43/80/50/557438050.db2.gz XCDIGYLYIOODMQ-GDNBJRDFSA-N 0 0 438.730 5.742 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223140904 557438075 /nfs/dbraw/zinc/43/80/75/557438075.db2.gz OXGJWSLSLAANLI-NRFANRHFSA-N 0 0 438.612 5.005 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl ZINC000223140969 557438302 /nfs/dbraw/zinc/43/83/02/557438302.db2.gz FGPNUEWZFRPPBB-HUUCEWRRSA-N 0 0 439.358 5.007 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc(C)c1Cl ZINC000223143574 557438499 /nfs/dbraw/zinc/43/84/99/557438499.db2.gz MCDZNOUQIVPYKA-AWEZNQCLSA-N 0 0 433.986 5.507 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C ZINC000223144899 557438782 /nfs/dbraw/zinc/43/87/82/557438782.db2.gz BMGAUOWXTPNPSL-LJQANCHMSA-N 0 0 447.044 5.215 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000223145047 557438849 /nfs/dbraw/zinc/43/88/49/557438849.db2.gz JODOPCKWFXEJMK-LJQANCHMSA-N 0 0 447.044 5.215 40 0 IKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000223162959 557440372 /nfs/dbraw/zinc/44/03/72/557440372.db2.gz OTASSGWJADBLDJ-ODHYRZOZSA-N 0 0 446.616 6.002 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223177997 557442077 /nfs/dbraw/zinc/44/20/77/557442077.db2.gz MPGCRCBFJBOURN-FQEVSTJZSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 ZINC000223180201 557442429 /nfs/dbraw/zinc/44/24/29/557442429.db2.gz DHJVGLGIVHKSKL-NRFANRHFSA-N 0 0 447.044 5.463 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000223180756 557442528 /nfs/dbraw/zinc/44/25/28/557442528.db2.gz MXUCHGMEJSIZDS-LJQANCHMSA-N 0 0 445.003 5.176 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 ZINC000223182036 557442686 /nfs/dbraw/zinc/44/26/86/557442686.db2.gz UAIPWFJIWRLQIE-HSZRJFAPSA-N 0 0 440.653 5.508 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)c1 ZINC000223181974 557442721 /nfs/dbraw/zinc/44/27/21/557442721.db2.gz HVRCQVZFINOMQM-LJQANCHMSA-N 0 0 448.588 5.084 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1 ZINC000223182052 557442736 /nfs/dbraw/zinc/44/27/36/557442736.db2.gz XDSQXJUZYMMFSU-IBGZPJMESA-N 0 0 448.588 5.084 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)cc2)cc1 ZINC000014404815 557443081 /nfs/dbraw/zinc/44/30/81/557443081.db2.gz ANUBILRMDNMJNW-UHFFFAOYSA-N 0 0 440.503 5.002 40 0 IKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 ZINC000014404854 557443092 /nfs/dbraw/zinc/44/30/92/557443092.db2.gz HXTXFHZMGAKADK-CCEZHUSRSA-N 0 0 442.544 5.455 40 0 IKABRN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000014405099 557443377 /nfs/dbraw/zinc/44/33/77/557443377.db2.gz QRJDXPIQVSEQNX-UHFFFAOYSA-N 0 0 440.503 5.002 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 ZINC000223189092 557443412 /nfs/dbraw/zinc/44/34/12/557443412.db2.gz IRPBYGYILIVTNM-IBGZPJMESA-N 0 0 447.044 5.215 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223190108 557443618 /nfs/dbraw/zinc/44/36/18/557443618.db2.gz QDOWEFXNEKVXSV-IBGZPJMESA-N 0 0 445.003 5.176 40 0 IKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cc3ccccc3o2)c1C ZINC000014405571 557443566 /nfs/dbraw/zinc/44/35/66/557443566.db2.gz PZAYJLHSKOVMGP-UHFFFAOYSA-N 0 0 430.508 5.551 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223191555 557443891 /nfs/dbraw/zinc/44/38/91/557443891.db2.gz MGOYVNBBJGVVKY-HNNXBMFYSA-N 0 0 439.358 5.009 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223191491 557443932 /nfs/dbraw/zinc/44/39/32/557443932.db2.gz MGOYVNBBJGVVKY-OAHLLOKOSA-N 0 0 439.358 5.009 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223195024 557444700 /nfs/dbraw/zinc/44/47/00/557444700.db2.gz TWZAAXCDCAOSBI-LJQANCHMSA-N 0 0 447.044 5.464 40 0 IKABRN C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc2c(c1)CCC2 ZINC000223205805 557445968 /nfs/dbraw/zinc/44/59/68/557445968.db2.gz REXMLKQMXREYAI-OAHLLOKOSA-N 0 0 430.386 5.492 40 0 IKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 ZINC000223208140 557446163 /nfs/dbraw/zinc/44/61/63/557446163.db2.gz DHFYPBBQDSZWFO-HHHXNRCGSA-N 0 0 442.603 5.012 40 0 IKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 ZINC000223208194 557446222 /nfs/dbraw/zinc/44/62/22/557446222.db2.gz DHFYPBBQDSZWFO-MHZLTWQESA-N 0 0 442.603 5.012 40 0 IKABRN C[C@H](NC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000014400782 557446226 /nfs/dbraw/zinc/44/62/26/557446226.db2.gz ZQAXIFMOJVIWLH-SFHVURJKSA-N 0 0 436.939 5.629 40 0 IKABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000223211597 557446432 /nfs/dbraw/zinc/44/64/32/557446432.db2.gz BLFBCAOQAUQZOO-LJQANCHMSA-N 0 0 436.577 5.158 40 0 IKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(Br)c1 ZINC000014553051 557446480 /nfs/dbraw/zinc/44/64/80/557446480.db2.gz CIFVPAALYAIDEF-UHFFFAOYSA-N 0 0 427.136 5.643 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 ZINC000223213133 557446761 /nfs/dbraw/zinc/44/67/61/557446761.db2.gz PDNUSJAVROLWSJ-QHCPKHFHSA-N 0 0 440.653 5.340 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223216479 557447181 /nfs/dbraw/zinc/44/71/81/557447181.db2.gz AEPOUEPZTMPOJM-RUZDIDTESA-N 0 0 436.640 5.773 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl ZINC000223217908 557447232 /nfs/dbraw/zinc/44/72/32/557447232.db2.gz OETZKSCNLVRKMJ-JOCHJYFZSA-N 0 0 429.004 5.303 40 0 IKABRN CC(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000014607265 557447559 /nfs/dbraw/zinc/44/75/59/557447559.db2.gz VRFXGUPNMCVBFM-DFBJGRDBSA-N 0 0 434.561 5.077 40 0 IKABRN COCc1nn2c(nnc3c2C[C@@H](C=Cc2ccccc2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014607743 557447770 /nfs/dbraw/zinc/44/77/70/557447770.db2.gz XZNHVUCLZKRERE-IWAYRVGRSA-N 0 0 444.922 5.050 40 0 IKABRN CCC1=Nc2ccccc2N=C(NC(=O)Cc2cccs2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000014608114 557448267 /nfs/dbraw/zinc/44/82/67/557448267.db2.gz ZJXIWTDAXPDAQE-DEOSSOPVSA-N 0 0 447.560 5.434 40 0 IKABRN O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000014608363 557448440 /nfs/dbraw/zinc/44/84/40/557448440.db2.gz FJXFUVIHXFJMNI-UHFFFAOYSA-N 0 0 435.980 5.292 40 0 IKABRN Cc1cc(C)nc(Nc2ncc(-c3ccc4ccccc4c3)n2-c2ccc(C)c(Cl)c2)n1 ZINC000014608325 557448574 /nfs/dbraw/zinc/44/85/74/557448574.db2.gz IBZFKQAYTMKAAJ-UHFFFAOYSA-N 0 0 439.950 6.805 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000223236948 557449713 /nfs/dbraw/zinc/44/97/13/557449713.db2.gz VKZFGDJGCZXJGE-SFHVURJKSA-N 0 0 435.951 6.409 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(=O)N1CCC(C)CC1 ZINC000026118941 557449982 /nfs/dbraw/zinc/44/99/82/557449982.db2.gz ZCCPQSXLICBQGM-UHFFFAOYSA-N 0 0 446.638 5.205 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)c3ccc(CSc4ccc(C)cc4)cc3)s2)cc1 ZINC000223241484 557450288 /nfs/dbraw/zinc/45/02/88/557450288.db2.gz UHUSVMLTONSTNR-UHFFFAOYSA-N 0 0 447.585 6.067 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 ZINC000223242495 557450413 /nfs/dbraw/zinc/45/04/13/557450413.db2.gz QZCGGZLJGMGZMY-IBGZPJMESA-N 0 0 439.408 5.029 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000014739629 557451932 /nfs/dbraw/zinc/45/19/32/557451932.db2.gz YXFUMZZJAAFEFZ-UHFFFAOYSA-N 0 0 434.989 5.199 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223258787 557452059 /nfs/dbraw/zinc/45/20/59/557452059.db2.gz LEUZAGHZIDGWTL-HSZRJFAPSA-N 0 0 438.612 5.021 40 0 IKABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000223262481 557452390 /nfs/dbraw/zinc/45/23/90/557452390.db2.gz FWVPPRCJFXSHHF-AREMUKBSSA-N 0 0 448.607 5.052 40 0 IKABRN Cc1cccc(C)c1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000014734337 557452459 /nfs/dbraw/zinc/45/24/59/557452459.db2.gz PNBREWRCRSMNEJ-UHFFFAOYSA-N 0 0 436.577 5.261 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223264150 557452533 /nfs/dbraw/zinc/45/25/33/557452533.db2.gz MXQVJCGOXXCURC-KCWPFWIISA-N 0 0 442.603 5.174 40 0 IKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1C(C)C ZINC000223272240 557454307 /nfs/dbraw/zinc/45/43/07/557454307.db2.gz ZUYRKOSBCIDKDC-HNNXBMFYSA-N 0 0 440.436 6.544 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000223272313 557454318 /nfs/dbraw/zinc/45/43/18/557454318.db2.gz NSMWRNLWYYBUOX-QFIPXVFZSA-N 0 0 426.626 5.199 40 0 IKABRN Cc1ccc2c(c1)[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)CC(C)(C)O2 ZINC000223278787 557455026 /nfs/dbraw/zinc/45/50/26/557455026.db2.gz DLZFVUQHFCCTLS-GYZZIOIESA-N 0 0 446.572 5.246 40 0 IKABRN CCc1ccc(OCC(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)c(Br)c1 ZINC000223285645 557455724 /nfs/dbraw/zinc/45/57/24/557455724.db2.gz GBXFXVPNFZWYEW-LJQANCHMSA-N 0 0 446.385 5.589 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)CSCc3c(Cl)cccc3Cl)s2)cc1 ZINC000223295329 557456499 /nfs/dbraw/zinc/45/64/99/557456499.db2.gz RUVNTRUPAQJIHF-UHFFFAOYSA-N 0 0 440.377 5.392 40 0 IKABRN CCC1(CC)C[C@H](NC(=O)c2ccccc2SCc2ccccc2)c2ccccc2O1 ZINC000223299215 557456746 /nfs/dbraw/zinc/45/67/46/557456746.db2.gz CFLVSQBUGVSFFE-QHCPKHFHSA-N 0 0 431.601 6.791 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000223301201 557457017 /nfs/dbraw/zinc/45/70/17/557457017.db2.gz FMCNSOCPHXUXCL-WNCULLNHSA-N 0 0 442.603 5.092 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCCC1 ZINC000223305884 557457215 /nfs/dbraw/zinc/45/72/15/557457215.db2.gz COWJWFKIRMTNBW-ZTCOLXNVSA-N 0 0 438.641 5.157 40 0 IKABRN CCOC(=O)[C@@H]1C(=O)Oc2ccccc2[C@@H]1[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000015021892 557457303 /nfs/dbraw/zinc/45/73/03/557457303.db2.gz HCCASHTVIJTISL-YTFSRNRJSA-N 0 0 448.902 5.189 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000223316549 557458524 /nfs/dbraw/zinc/45/85/24/557458524.db2.gz LLOXZSYSTRCAAP-YIXXDRMTSA-N 0 0 442.603 5.092 40 0 IKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 ZINC000223320675 557459029 /nfs/dbraw/zinc/45/90/29/557459029.db2.gz XKJDAOVELDKNRZ-VWLOTQADSA-N 0 0 448.994 5.049 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223329887 557459740 /nfs/dbraw/zinc/45/97/40/557459740.db2.gz ATOQJNUZLLZQLB-SFHVURJKSA-N 0 0 449.422 5.486 40 0 IKABRN COc1ccc(C2=N/C(=C/c3cccc(OCc4cccc5ccccc54)c3)C(=O)O2)cc1 ZINC000015228979 557460073 /nfs/dbraw/zinc/46/00/73/557460073.db2.gz FOICQUFYBPJLNB-YZSQISJMSA-N 0 0 435.479 5.772 40 0 IKABRN O=C(CSCc1ccccc1Br)NCCSc1ccc(Cl)cc1 ZINC000020238160 557460178 /nfs/dbraw/zinc/46/01/78/557460178.db2.gz LFPAKUOVCTVUAR-UHFFFAOYSA-N 0 0 430.820 5.244 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccco1 ZINC000223337292 557460253 /nfs/dbraw/zinc/46/02/53/557460253.db2.gz GDUUWVWIQRZHCY-FGZHOGPDSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223340547 557460401 /nfs/dbraw/zinc/46/04/01/557460401.db2.gz OKWLKNDTDPFPLD-DHIUTWEWSA-N 0 0 447.585 5.900 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)ccc1C ZINC000223348578 557461045 /nfs/dbraw/zinc/46/10/45/557461045.db2.gz HSSMGNPENVFYIR-NRFANRHFSA-N 0 0 445.003 5.058 40 0 IKABRN CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000223347953 557461056 /nfs/dbraw/zinc/46/10/56/557461056.db2.gz LXNWZLMATKAUJB-DEOSSOPVSA-N 0 0 434.967 5.382 40 0 IKABRN CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223354563 557461669 /nfs/dbraw/zinc/46/16/69/557461669.db2.gz IHGHTEDRBXGBTK-HHHXNRCGSA-N 0 0 428.576 5.162 40 0 IKABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223355188 557461806 /nfs/dbraw/zinc/46/18/06/557461806.db2.gz CWVYFMHORANMRW-HHHXNRCGSA-N 0 0 428.576 5.306 40 0 IKABRN CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223359107 557462345 /nfs/dbraw/zinc/46/23/45/557462345.db2.gz AJHXYOZNFYLHIJ-NDEPHWFRSA-N 0 0 442.603 5.552 40 0 IKABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223358957 557462363 /nfs/dbraw/zinc/46/23/63/557462363.db2.gz ACCTWFOVINLVTF-NDEPHWFRSA-N 0 0 442.603 5.696 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223358886 557462364 /nfs/dbraw/zinc/46/23/64/557462364.db2.gz JQNPGTLZLXOQKJ-HXUWFJFHSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223361193 557462534 /nfs/dbraw/zinc/46/25/34/557462534.db2.gz JTMVFHNUWXPSSB-NRFANRHFSA-N 0 0 447.044 5.463 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223362924 557462818 /nfs/dbraw/zinc/46/28/18/557462818.db2.gz BKXPEZGCLKKESN-SFHVURJKSA-N 0 0 449.422 5.486 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223362864 557462851 /nfs/dbraw/zinc/46/28/51/557462851.db2.gz BKXPEZGCLKKESN-GOSISDBHSA-N 0 0 449.422 5.486 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223364601 557463002 /nfs/dbraw/zinc/46/30/02/557463002.db2.gz YQWBMJJPEDBZPU-JOCHJYFZSA-N 0 0 449.422 5.603 40 0 IKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223364558 557463052 /nfs/dbraw/zinc/46/30/52/557463052.db2.gz KDTCKDHAHCMNNY-DHIUTWEWSA-N 0 0 449.963 6.069 40 0 IKABRN CCOc1c(Br)cc(C(=O)Nc2ccc(Br)cc2C)cc1OC ZINC000015649452 557463114 /nfs/dbraw/zinc/46/31/14/557463114.db2.gz HZVTZAXAWPAVNC-UHFFFAOYSA-N 0 0 443.135 5.180 40 0 IKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 ZINC000223366787 557463332 /nfs/dbraw/zinc/46/33/32/557463332.db2.gz TYPPUHQARVTOSI-RPBOFIJWSA-N 0 0 442.588 5.563 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000223372774 557463774 /nfs/dbraw/zinc/46/37/74/557463774.db2.gz DYRIBMRVSQKERX-HOFKKMOUSA-N 0 0 442.603 5.092 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccnc1 ZINC000223374753 557464310 /nfs/dbraw/zinc/46/43/10/557464310.db2.gz CBQJTVITEXIMMD-DQEYMECFSA-N 0 0 439.588 5.057 40 0 IKABRN COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223376061 557464547 /nfs/dbraw/zinc/46/45/47/557464547.db2.gz HBRGYGJTMJWREL-DQEYMECFSA-N 0 0 440.572 5.054 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223376351 557464594 /nfs/dbraw/zinc/46/45/94/557464594.db2.gz QDZXRCCCAZWPMH-SFHVURJKSA-N 0 0 449.422 5.486 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000223380091 557465090 /nfs/dbraw/zinc/46/50/90/557465090.db2.gz WJHOHERXUSLOEL-KRWDZBQOSA-N 0 0 435.395 5.260 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000223385094 557465623 /nfs/dbraw/zinc/46/56/23/557465623.db2.gz IZSMOKSAPODFEK-QHKNXTSZSA-N 0 0 448.588 5.431 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223389192 557465877 /nfs/dbraw/zinc/46/58/77/557465877.db2.gz YDZHGUPCQKDXSU-QFIPXVFZSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 ZINC000223389341 557465881 /nfs/dbraw/zinc/46/58/81/557465881.db2.gz TWVUVQAMOOJEKW-QFIPXVFZSA-N 0 0 445.003 5.221 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C ZINC000223393234 557466009 /nfs/dbraw/zinc/46/60/09/557466009.db2.gz URTYVFJLFNTEQZ-OAQYLSRUSA-N 0 0 445.003 5.058 40 0 IKABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223393366 557466040 /nfs/dbraw/zinc/46/60/40/557466040.db2.gz ANFUKHOEZRVWKF-JOCHJYFZSA-N 0 0 445.003 5.003 40 0 IKABRN O=C(NCCOc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223394618 557466255 /nfs/dbraw/zinc/46/62/55/557466255.db2.gz FRWNGAZCMURGKM-UHFFFAOYSA-N 0 0 432.372 6.095 40 0 IKABRN Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223395220 557466292 /nfs/dbraw/zinc/46/62/92/557466292.db2.gz WULJIOPOBYMBJS-DNQXCXABSA-N 0 0 428.536 5.184 40 0 IKABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223395906 557466505 /nfs/dbraw/zinc/46/65/05/557466505.db2.gz VDLIEKXWRNHCLM-LOSJGSFVSA-N 0 0 440.572 5.054 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1C ZINC000223397560 557466661 /nfs/dbraw/zinc/46/66/61/557466661.db2.gz GOWDMCOARVLXIA-FTJBHMTQSA-N 0 0 438.600 5.662 40 0 IKABRN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223396155 557466664 /nfs/dbraw/zinc/46/66/64/557466664.db2.gz GDDUUWHSTWDRQZ-UHFFFAOYSA-N 0 0 429.972 7.136 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223396764 557466694 /nfs/dbraw/zinc/46/66/94/557466694.db2.gz DTYOMBMZQJDNGN-QHCPKHFHSA-N 0 0 443.031 5.557 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C ZINC000223402549 557467042 /nfs/dbraw/zinc/46/70/42/557467042.db2.gz GXHTVFFDGYHFFI-OAQYLSRUSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223403323 557467048 /nfs/dbraw/zinc/46/70/48/557467048.db2.gz ZLYXRTXIJLTNBR-FQEVSTJZSA-N 0 0 435.395 5.258 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223406646 557467913 /nfs/dbraw/zinc/46/79/13/557467913.db2.gz AJIJCGXXXJKIEO-GOSISDBHSA-N 0 0 449.422 5.568 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 ZINC000223407069 557467938 /nfs/dbraw/zinc/46/79/38/557467938.db2.gz WXBWVDQKVFPODT-OAQYLSRUSA-N 0 0 430.589 5.030 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223408213 557468303 /nfs/dbraw/zinc/46/83/03/557468303.db2.gz BDLFYMJFMYZZHN-RUZDIDTESA-N 0 0 438.999 5.827 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000223413642 557468965 /nfs/dbraw/zinc/46/89/65/557468965.db2.gz HYDQKMBNSKQKNX-ZEQRLZLVSA-N 0 0 432.593 5.016 40 0 IKABRN CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 ZINC000033546291 557469186 /nfs/dbraw/zinc/46/91/86/557469186.db2.gz RODNNROIELIBQA-UHFFFAOYSA-N 0 0 438.818 6.089 40 0 IKABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223418519 557469667 /nfs/dbraw/zinc/46/96/67/557469667.db2.gz TZIUUXXVDCZYKN-VWLOTQADSA-N 0 0 448.994 5.425 40 0 IKABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223417738 557469757 /nfs/dbraw/zinc/46/97/57/557469757.db2.gz JPSKZRYEXHBKRB-DEOSSOPVSA-N 0 0 434.967 5.382 40 0 IKABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223420725 557470239 /nfs/dbraw/zinc/47/02/39/557470239.db2.gz HHNBMMYPDGVDMZ-VWLOTQADSA-N 0 0 434.967 5.179 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)N(c1ccccc1)c1ccccc1 ZINC000016194605 557470580 /nfs/dbraw/zinc/47/05/80/557470580.db2.gz VLOLKARMYKBBKL-UHFFFAOYSA-N 0 0 431.344 5.855 40 0 IKABRN CC(C)CCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223425545 557471041 /nfs/dbraw/zinc/47/10/41/557471041.db2.gz QCWITCGUTXOVOU-UHFFFAOYSA-N 0 0 438.977 5.164 40 0 IKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1C ZINC000223426701 557471129 /nfs/dbraw/zinc/47/11/29/557471129.db2.gz VLJDFVFIENYULW-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN COc1ccc(/C=C(/C(=O)NCCOc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000223428665 557471343 /nfs/dbraw/zinc/47/13/43/557471343.db2.gz JXQAMLVIDSDSGZ-LHLOQNFPSA-N 0 0 429.560 5.729 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000223429214 557471366 /nfs/dbraw/zinc/47/13/66/557471366.db2.gz KMFZVCMTABYWIA-YIXXDRMTSA-N 0 0 442.603 5.092 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000223432047 557471561 /nfs/dbraw/zinc/47/15/61/557471561.db2.gz CRDBEFCZWZRHNY-UHFFFAOYSA-N 0 0 435.568 5.503 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000016291117 557472325 /nfs/dbraw/zinc/47/23/25/557472325.db2.gz XBYONTBLUDFWED-UHFFFAOYSA-N 0 0 433.986 5.274 40 0 IKABRN Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)oc2c1 ZINC000016348637 557472426 /nfs/dbraw/zinc/47/24/26/557472426.db2.gz JAUPOFNHSXZRGX-UHFFFAOYSA-N 0 0 442.902 6.647 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223443259 557472534 /nfs/dbraw/zinc/47/25/34/557472534.db2.gz OKXOBVHMPFGVKP-RPBOFIJWSA-N 0 0 440.572 5.054 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223441213 557472555 /nfs/dbraw/zinc/47/25/55/557472555.db2.gz PEFLYJSQORVZGB-QHCPKHFHSA-N 0 0 426.576 5.043 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223443128 557472582 /nfs/dbraw/zinc/47/25/82/557472582.db2.gz GJBMQVYOKDTOCH-JWQCQUIFSA-N 0 0 446.620 5.570 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223445041 557472756 /nfs/dbraw/zinc/47/27/56/557472756.db2.gz ZTWIGAILAWIVJF-VWLOTQADSA-N 0 0 448.582 5.634 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223445798 557472811 /nfs/dbraw/zinc/47/28/11/557472811.db2.gz NQGAMQWFZFEQMP-JOCHJYFZSA-N 0 0 444.616 5.089 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223449756 557473288 /nfs/dbraw/zinc/47/32/88/557473288.db2.gz ZOVRTKAUUJMLGU-FQEVSTJZSA-N 0 0 435.395 5.258 40 0 IKABRN O=C(/C=C/c1ccccc1)Nc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 ZINC000016450855 557474234 /nfs/dbraw/zinc/47/42/34/557474234.db2.gz DPLBUSUCOMETRI-JOBJLJCHSA-N 0 0 425.513 5.600 40 0 IKABRN COc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000016575339 557474340 /nfs/dbraw/zinc/47/43/40/557474340.db2.gz IMYDEEHAPFDSLI-UHFFFAOYSA-N 0 0 443.499 5.756 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCC1 ZINC000223457085 557474350 /nfs/dbraw/zinc/47/43/50/557474350.db2.gz PBPKKHBZERIYGH-RPWUZVMVSA-N 0 0 431.609 5.183 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000016638960 557474920 /nfs/dbraw/zinc/47/49/20/557474920.db2.gz LFAHIXHDTCQTTB-WYMLVPIESA-N 0 0 437.923 6.517 40 0 IKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(OC)c4)ccc3o2)cc1 ZINC000016692045 557475419 /nfs/dbraw/zinc/47/54/19/557475419.db2.gz VIMOBHQUPAOOHF-UHFFFAOYSA-N 0 0 447.516 5.029 40 0 IKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1 ZINC000016692043 557475482 /nfs/dbraw/zinc/47/54/82/557475482.db2.gz IYTITFZYNIEJCW-UHFFFAOYSA-N 0 0 435.480 5.159 40 0 IKABRN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000223470472 557475631 /nfs/dbraw/zinc/47/56/31/557475631.db2.gz HVOXOGASMRUJOT-SFHVURJKSA-N 0 0 433.423 6.008 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1cccnc1 ZINC000223474644 557476270 /nfs/dbraw/zinc/47/62/70/557476270.db2.gz PHHHJGHGBZTPMZ-XZOQPEGZSA-N 0 0 446.963 5.563 40 0 IKABRN Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)c2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000017083450 557476374 /nfs/dbraw/zinc/47/63/74/557476374.db2.gz HOTLVIZLTVVTLN-MHZLTWQESA-N 0 0 447.962 5.779 40 0 IKABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000223476769 557476477 /nfs/dbraw/zinc/47/64/77/557476477.db2.gz KPWOIXFJDQOBFO-DEOSSOPVSA-N 0 0 438.930 5.275 40 0 IKABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000223476567 557476500 /nfs/dbraw/zinc/47/65/00/557476500.db2.gz MRTYUPSHOBGDTI-XMMPIXPASA-N 0 0 438.930 5.275 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccccc4)ccc3O)oc2c1 ZINC000017096518 557476574 /nfs/dbraw/zinc/47/65/74/557476574.db2.gz JMIKBKKVBNSKDI-XYOKQWHBSA-N 0 0 429.501 5.035 40 0 IKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000017096587 557476778 /nfs/dbraw/zinc/47/67/78/557476778.db2.gz ZOSOQTZEQLWQCM-UHFFFAOYSA-N 0 0 429.545 6.021 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000017096607 557476825 /nfs/dbraw/zinc/47/68/25/557476825.db2.gz OHCSCTLCCLGOTA-UHFFFAOYSA-N 0 0 429.545 5.801 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(CC)cc4)nc3c2)cc1 ZINC000017096601 557476876 /nfs/dbraw/zinc/47/68/76/557476876.db2.gz GLLMTQORMOFTJP-UHFFFAOYSA-N 0 0 429.545 5.746 40 0 IKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000017096645 557477116 /nfs/dbraw/zinc/47/71/16/557477116.db2.gz XLCMUGSZTNVPBT-UHFFFAOYSA-N 0 0 429.589 5.717 40 0 IKABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223480140 557477213 /nfs/dbraw/zinc/47/72/13/557477213.db2.gz NGGQPKDTQTUVJU-AREMUKBSSA-N 0 0 436.571 5.702 40 0 IKABRN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000017096730 557477428 /nfs/dbraw/zinc/47/74/28/557477428.db2.gz RQACKHOBBPDUPT-UHFFFAOYSA-N 0 0 430.017 5.827 40 0 IKABRN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cccc(OCc2ccccc2)c1 ZINC000017096830 557477677 /nfs/dbraw/zinc/47/76/77/557477677.db2.gz CONBWVMFHZEPMF-UHFFFAOYSA-N 0 0 430.451 5.411 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c(F)c1F ZINC000017096796 557477685 /nfs/dbraw/zinc/47/76/85/557477685.db2.gz FFEFXAJMGYUXOL-UHFFFAOYSA-N 0 0 430.357 5.621 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)c(F)c1F ZINC000017096797 557477690 /nfs/dbraw/zinc/47/76/90/557477690.db2.gz BBPQPVFQAHXKIA-UHFFFAOYSA-N 0 0 430.357 5.621 40 0 IKABRN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1 ZINC000017096829 557477694 /nfs/dbraw/zinc/47/76/94/557477694.db2.gz QOHVRWFPDFVUHW-UHFFFAOYSA-N 0 0 430.451 5.411 40 0 IKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1cccc(C)c1C ZINC000017096931 557477846 /nfs/dbraw/zinc/47/78/46/557477846.db2.gz WULLOYJUYAXJFM-UHFFFAOYSA-N 0 0 430.504 5.755 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(OC)cc4)cc3)nc2c1 ZINC000017096944 557477903 /nfs/dbraw/zinc/47/79/03/557477903.db2.gz FFDNLCVPDIKJOU-KRWDZBQOSA-N 0 0 430.504 6.034 40 0 IKABRN Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1C ZINC000017097052 557478140 /nfs/dbraw/zinc/47/81/40/557478140.db2.gz PMGQBYYRTPXISD-UHFFFAOYSA-N 0 0 430.548 5.871 40 0 IKABRN CCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)c1 ZINC000017096954 557478173 /nfs/dbraw/zinc/47/81/73/557478173.db2.gz PGSBILQJANPMRR-UHFFFAOYSA-N 0 0 430.504 6.161 40 0 IKABRN Cc1ccc(CNC(=O)[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 ZINC000223485587 557478152 /nfs/dbraw/zinc/47/81/52/557478152.db2.gz ZSJSDRDEQAPFTH-VWLOTQADSA-N 0 0 432.539 5.176 40 0 IKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000017097217 557478327 /nfs/dbraw/zinc/47/83/27/557478327.db2.gz GUEWPRQUOQWQML-UHFFFAOYSA-N 0 0 430.879 5.520 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c(F)c1F ZINC000017097207 557478342 /nfs/dbraw/zinc/47/83/42/557478342.db2.gz OPIADLGTYLYQQT-UHFFFAOYSA-N 0 0 430.829 5.394 40 0 IKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 ZINC000017097220 557478346 /nfs/dbraw/zinc/47/83/46/557478346.db2.gz FTHNKQPKJMOKRH-UHFFFAOYSA-N 0 0 430.879 5.665 40 0 IKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000017097169 557478351 /nfs/dbraw/zinc/47/83/51/557478351.db2.gz DWFCEIDDUMUHFT-UHFFFAOYSA-N 0 0 430.573 6.587 40 0 IKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 ZINC000017097218 557478403 /nfs/dbraw/zinc/47/84/03/557478403.db2.gz QOOVUMVDSNLHLW-UHFFFAOYSA-N 0 0 430.879 5.520 40 0 IKABRN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000017097398 557478774 /nfs/dbraw/zinc/47/87/74/557478774.db2.gz PPDVTDSFXWBYRZ-UHFFFAOYSA-N 0 0 431.344 5.699 40 0 IKABRN Cc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000017097416 557478776 /nfs/dbraw/zinc/47/87/76/557478776.db2.gz GDARERRVEBYROG-SOFGYWHQSA-N 0 0 431.344 6.088 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000017097364 557478809 /nfs/dbraw/zinc/47/88/09/557478809.db2.gz NARXZAMCISMLGR-UHFFFAOYSA-N 0 0 431.286 5.612 40 0 IKABRN Cc1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000017097412 557478820 /nfs/dbraw/zinc/47/88/20/557478820.db2.gz SUKPJGFJOHWNCX-VQHVLOKHSA-N 0 0 431.344 6.088 40 0 IKABRN O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NCc1ccccc1 ZINC000017097421 557479026 /nfs/dbraw/zinc/47/90/26/557479026.db2.gz QDKWUAZFGGMRGE-VQHVLOKHSA-N 0 0 431.344 5.458 40 0 IKABRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000017097422 557479035 /nfs/dbraw/zinc/47/90/35/557479035.db2.gz IIEKMGHPBHWTOC-DHZHZOJOSA-N 0 0 431.344 6.088 40 0 IKABRN CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223492801 557479037 /nfs/dbraw/zinc/47/90/37/557479037.db2.gz NXPVKUPXAWGGGW-HHHXNRCGSA-N 0 0 446.566 5.301 40 0 IKABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223493379 557479043 /nfs/dbraw/zinc/47/90/43/557479043.db2.gz CCYCELRTEUWYFR-AREMUKBSSA-N 0 0 432.539 5.055 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCCC1 ZINC000223493137 557479082 /nfs/dbraw/zinc/47/90/82/557479082.db2.gz AUTLOKRCUNKUON-LOSJGSFVSA-N 0 0 445.636 5.573 40 0 IKABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 ZINC000017097533 557479203 /nfs/dbraw/zinc/47/92/03/557479203.db2.gz XMNXUENUDNCNCN-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)COc4ccccc4)c3)nc2c1 ZINC000017097525 557479227 /nfs/dbraw/zinc/47/92/27/557479227.db2.gz LFWLQKQJTFZCTL-UHFFFAOYSA-N 0 0 431.517 5.004 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)cc1 ZINC000017097555 557479252 /nfs/dbraw/zinc/47/92/52/557479252.db2.gz YMCBHQJKQKGWGZ-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000017097572 557479455 /nfs/dbraw/zinc/47/94/55/557479455.db2.gz LFMWIOALYAVNKT-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000223496827 557479621 /nfs/dbraw/zinc/47/96/21/557479621.db2.gz GZRDUXCEJUJWOJ-FQEVSTJZSA-N 0 0 435.395 5.258 40 0 IKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3O)nc2c1 ZINC000017097576 557479601 /nfs/dbraw/zinc/47/96/01/557479601.db2.gz JKNGUBGIEARAHS-UHFFFAOYSA-N 0 0 431.517 5.198 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)nc2c(C)c1 ZINC000017097664 557479760 /nfs/dbraw/zinc/47/97/60/557479760.db2.gz AODWZVQSWNAWOX-UHFFFAOYSA-N 0 0 431.586 5.558 40 0 IKABRN O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1cccc2c(Cl)cccc12 ZINC000017097748 557479763 /nfs/dbraw/zinc/47/97/63/557479763.db2.gz BMDUZWXVWMSQPB-UHFFFAOYSA-N 0 0 431.948 5.606 40 0 IKABRN O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NNc1ccccc1 ZINC000017097825 557479954 /nfs/dbraw/zinc/47/99/54/557479954.db2.gz YZVXFJWBWVARMY-VQHVLOKHSA-N 0 0 432.332 5.284 40 0 IKABRN Cc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000017097829 557479960 /nfs/dbraw/zinc/47/99/60/557479960.db2.gz OIKIMTBGHGQKDR-JXMROGBWSA-N 0 0 432.332 5.483 40 0 IKABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 ZINC000017097777 557480057 /nfs/dbraw/zinc/48/00/57/557480057.db2.gz RCZBQZSRJUTPKW-UHFFFAOYSA-N 0 0 431.989 5.102 40 0 IKABRN Cc1cccnc1NC(=S)NC(=O)C=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017097832 557480149 /nfs/dbraw/zinc/48/01/49/557480149.db2.gz VCBKMODXAWNXRQ-CSKARUKUSA-N 0 0 432.332 5.483 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)c(F)c1F ZINC000017097880 557480176 /nfs/dbraw/zinc/48/01/76/557480176.db2.gz SGMRNIKRWRSZCY-UHFFFAOYSA-N 0 0 432.398 5.781 40 0 IKABRN Cc1cccnc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017097831 557480216 /nfs/dbraw/zinc/48/02/16/557480216.db2.gz WIHZSJUVHFJMMR-RMKNXTFCSA-N 0 0 432.332 5.483 40 0 IKABRN COc1cc(NC(=O)COc2ccc3ccccc3c2)ccc1NC(=O)c1cccs1 ZINC000017097955 557480440 /nfs/dbraw/zinc/48/04/40/557480440.db2.gz GSBYABYFVQUBEY-UHFFFAOYSA-N 0 0 432.501 5.180 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)cc1 ZINC000223511116 557480870 /nfs/dbraw/zinc/48/08/70/557480870.db2.gz MIBFGOMXHICLIH-UHFFFAOYSA-N 0 0 427.569 6.249 40 0 IKABRN Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 ZINC000223511715 557480919 /nfs/dbraw/zinc/48/09/19/557480919.db2.gz KZLYTWXYCMNPIG-DHIUTWEWSA-N 0 0 430.508 5.048 40 0 IKABRN Cc1ccc2nc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000017098534 557481398 /nfs/dbraw/zinc/48/13/98/557481398.db2.gz AMVOVQLQQJFJLR-UHFFFAOYSA-N 0 0 433.558 5.311 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000017098552 557481453 /nfs/dbraw/zinc/48/14/53/557481453.db2.gz NSMXETCZNYICAZ-UHFFFAOYSA-N 0 0 433.558 5.407 40 0 IKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000017098582 557481462 /nfs/dbraw/zinc/48/14/62/557481462.db2.gz GESATPJGKZMFQC-UHFFFAOYSA-N 0 0 433.577 5.239 40 0 IKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)COc1ccccc1 ZINC000017098554 557481486 /nfs/dbraw/zinc/48/14/86/557481486.db2.gz CSPYXURNCZTSPM-UHFFFAOYSA-N 0 0 433.558 5.164 40 0 IKABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223517136 557481554 /nfs/dbraw/zinc/48/15/54/557481554.db2.gz PDDLVWUWTXSWJU-IBGZPJMESA-N 0 0 447.044 5.198 40 0 IKABRN Cc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000017098643 557481660 /nfs/dbraw/zinc/48/16/60/557481660.db2.gz RXZZQXGJNIGWRY-UHFFFAOYSA-N 0 0 433.758 5.691 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc2c3c(cccc31)CC2 ZINC000017098748 557481830 /nfs/dbraw/zinc/48/18/30/557481830.db2.gz KYYUFKCXVWGSCP-DHZHZOJOSA-N 0 0 434.322 7.157 40 0 IKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000017098849 557481970 /nfs/dbraw/zinc/48/19/70/557481970.db2.gz HGTGKLVVLMILFA-UHFFFAOYSA-N 0 0 434.495 6.731 40 0 IKABRN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000017098848 557481979 /nfs/dbraw/zinc/48/19/79/557481979.db2.gz BAKKNYVZKQOTDO-UHFFFAOYSA-N 0 0 434.495 6.004 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000017098865 557481987 /nfs/dbraw/zinc/48/19/87/557481987.db2.gz LADMTWGXDTYQDE-QGZVFWFLSA-N 0 0 434.502 6.227 40 0 IKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000223526457 557482153 /nfs/dbraw/zinc/48/21/53/557482153.db2.gz IRWUVXJHPDMHBL-LJQANCHMSA-N 0 0 427.566 5.088 40 0 IKABRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000017099217 557482214 /nfs/dbraw/zinc/48/22/14/557482214.db2.gz WXIDRVINSIASCZ-UHFFFAOYSA-N 0 0 434.870 6.153 40 0 IKABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000017099078 557482222 /nfs/dbraw/zinc/48/22/22/557482222.db2.gz MMIGQYIGGHHAQM-KRWDZBQOSA-N 0 0 434.561 5.612 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017099213 557482242 /nfs/dbraw/zinc/48/22/42/557482242.db2.gz AJKDYYTUOWEPGL-UHFFFAOYSA-N 0 0 434.845 6.471 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017099191 557482250 /nfs/dbraw/zinc/48/22/50/557482250.db2.gz MPJQGJFSBJRQPG-UHFFFAOYSA-N 0 0 434.628 7.178 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccn1 ZINC000223528203 557482324 /nfs/dbraw/zinc/48/23/24/557482324.db2.gz OTZURBRWYFQZSN-GOTSBHOMSA-N 0 0 445.979 5.093 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000017099276 557482320 /nfs/dbraw/zinc/48/23/20/557482320.db2.gz HFGWIBYEUCARSZ-INIZCTEOSA-N 0 0 434.923 6.679 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)nc2c1 ZINC000017099266 557482327 /nfs/dbraw/zinc/48/23/27/557482327.db2.gz KQPDPYPVELJHAZ-OAHLLOKOSA-N 0 0 434.923 6.923 40 0 IKABRN CCc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)cc1 ZINC000017099281 557482337 /nfs/dbraw/zinc/48/23/37/557482337.db2.gz QQGFYXDBHLAKNA-UHFFFAOYSA-N 0 0 434.923 6.507 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 ZINC000017099256 557482362 /nfs/dbraw/zinc/48/23/62/557482362.db2.gz DANPJRXQSAMHIK-MRXNPFEDSA-N 0 0 434.923 6.679 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000017099275 557482414 /nfs/dbraw/zinc/48/24/14/557482414.db2.gz HFGWIBYEUCARSZ-MRXNPFEDSA-N 0 0 434.923 6.679 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000223532071 557482597 /nfs/dbraw/zinc/48/25/97/557482597.db2.gz ZQJCAXNDRHQLDS-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000223532128 557482628 /nfs/dbraw/zinc/48/26/28/557482628.db2.gz ZQJCAXNDRHQLDS-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCC[C@H]4C)cc3)o2)cc1Cl ZINC000017099340 557482578 /nfs/dbraw/zinc/48/25/78/557482578.db2.gz ALRSFAWPONPRLK-OCKXMSAZSA-N 0 0 434.967 6.939 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4C)cc3n2)cc1 ZINC000017099303 557482599 /nfs/dbraw/zinc/48/25/99/557482599.db2.gz PTKAZOWTHZEIAE-UHFFFAOYSA-N 0 0 434.927 5.271 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CCC(C)CC3)o2)cc1Cl ZINC000017099338 557482659 /nfs/dbraw/zinc/48/26/59/557482659.db2.gz VUWMKCZGZSTVNT-ZRDIBKRKSA-N 0 0 434.967 6.797 40 0 IKABRN CCOc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017099428 557483028 /nfs/dbraw/zinc/48/30/28/557483028.db2.gz AYOQOORFUPBYHD-UHFFFAOYSA-N 0 0 435.332 5.779 40 0 IKABRN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)cc1 ZINC000017099458 557483049 /nfs/dbraw/zinc/48/30/49/557483049.db2.gz UUBLTVFLMBMXDE-GFCCVEGCSA-N 0 0 435.387 5.406 40 0 IKABRN CCOc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017099426 557483057 /nfs/dbraw/zinc/48/30/57/557483057.db2.gz OIGJMAOGQZBMJO-UHFFFAOYSA-N 0 0 435.332 5.779 40 0 IKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000017099520 557483221 /nfs/dbraw/zinc/48/32/21/557483221.db2.gz JUPDOECSKWMTLL-UHFFFAOYSA-N 0 0 435.483 6.030 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)c1 ZINC000017099829 557483671 /nfs/dbraw/zinc/48/36/71/557483671.db2.gz AUKCOAXJPQCDCD-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3)oc2c1 ZINC000017099849 557483681 /nfs/dbraw/zinc/48/36/81/557483681.db2.gz LWTVUVGUJXAVOC-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN Cc1nc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1Br ZINC000017099917 557483710 /nfs/dbraw/zinc/48/37/10/557483710.db2.gz FJQMCRHRWLVTOA-UHFFFAOYSA-N 0 0 436.103 5.427 40 0 IKABRN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4Cl)c3)oc2c1 ZINC000017099835 557483741 /nfs/dbraw/zinc/48/37/41/557483741.db2.gz BTONJYURUXJSPR-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223543797 557483791 /nfs/dbraw/zinc/48/37/91/557483791.db2.gz JCEMPZHBLFSZRG-QFIPXVFZSA-N 0 0 436.640 5.293 40 0 IKABRN O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000017100109 557483931 /nfs/dbraw/zinc/48/39/31/557483931.db2.gz UTYGPZVXTGBSNS-UHFFFAOYSA-N 0 0 436.467 5.856 40 0 IKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)nc21 ZINC000017100034 557484005 /nfs/dbraw/zinc/48/40/05/557484005.db2.gz QVJLYOALNPSROG-SOFGYWHQSA-N 0 0 436.389 5.746 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000017094251 557484166 /nfs/dbraw/zinc/48/41/66/557484166.db2.gz NAQSPMMRQNENQF-UHFFFAOYSA-N 0 0 425.109 6.170 40 0 IKABRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cc2ccccc2o1 ZINC000017094269 557484187 /nfs/dbraw/zinc/48/41/87/557484187.db2.gz KTWZFOKYCANREL-UHFFFAOYSA-N 0 0 425.271 6.244 40 0 IKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000017094343 557484396 /nfs/dbraw/zinc/48/43/96/557484396.db2.gz VOXLNYOJVUOHFN-JTQLQIEISA-N 0 0 425.381 5.557 40 0 IKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000017094342 557484404 /nfs/dbraw/zinc/48/44/04/557484404.db2.gz VOXLNYOJVUOHFN-SNVBAGLBSA-N 0 0 425.381 5.557 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000017094323 557484454 /nfs/dbraw/zinc/48/44/54/557484454.db2.gz RKTWLLTUTIUFFT-PKNBQFBNSA-N 0 0 425.340 6.922 40 0 IKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 ZINC000017094576 557484601 /nfs/dbraw/zinc/48/46/01/557484601.db2.gz NQHQQDOLOQTWNJ-GOSISDBHSA-N 0 0 425.598 5.227 40 0 IKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 ZINC000017094571 557484609 /nfs/dbraw/zinc/48/46/09/557484609.db2.gz ZCGMGJYNIDZRHC-GOSISDBHSA-N 0 0 425.598 5.371 40 0 IKABRN Cc1cc(Cl)ccc1OCC(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017094601 557484633 /nfs/dbraw/zinc/48/46/33/557484633.db2.gz LSTFKMIAPGWZBU-UHFFFAOYSA-N 0 0 425.695 6.337 40 0 IKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 ZINC000017094573 557484667 /nfs/dbraw/zinc/48/46/67/557484667.db2.gz SMHWMCMHXXAGKX-SFHVURJKSA-N 0 0 425.598 5.227 40 0 IKABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223550262 557484715 /nfs/dbraw/zinc/48/47/15/557484715.db2.gz KRGVDVCOEJFBGK-MHZLTWQESA-N 0 0 444.575 5.190 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000017094710 557484790 /nfs/dbraw/zinc/48/47/90/557484790.db2.gz VLKZAPSUIFSZNW-JXMROGBWSA-N 0 0 426.221 6.924 40 0 IKABRN O=Cc1cn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc12 ZINC000017094697 557484799 /nfs/dbraw/zinc/48/47/99/557484799.db2.gz BUBXIVMQNKRJAY-UHFFFAOYSA-N 0 0 426.097 5.162 40 0 IKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c(C)c1 ZINC000017094690 557484804 /nfs/dbraw/zinc/48/48/04/557484804.db2.gz XOWFYMFTSFZEAK-UHFFFAOYSA-N 0 0 425.985 5.775 40 0 IKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1Br ZINC000017094694 557484828 /nfs/dbraw/zinc/48/48/28/557484828.db2.gz XPKGVDPJFYQFJO-UHFFFAOYSA-N 0 0 426.093 6.373 40 0 IKABRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000017094681 557484859 /nfs/dbraw/zinc/48/48/59/557484859.db2.gz ISZQPHBWXPGCCL-UHFFFAOYSA-N 0 0 425.941 5.215 40 0 IKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(Br)c1 ZINC000017094695 557484866 /nfs/dbraw/zinc/48/48/66/557484866.db2.gz OJCFTNBYIUVOKI-UHFFFAOYSA-N 0 0 426.093 6.373 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccn1 ZINC000223552187 557485028 /nfs/dbraw/zinc/48/50/28/557485028.db2.gz GWNJLCIYBCKSNJ-PKTZIBPZSA-N 0 0 446.963 5.563 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccn1 ZINC000223552018 557485038 /nfs/dbraw/zinc/48/50/38/557485038.db2.gz GWNJLCIYBCKSNJ-XZOQPEGZSA-N 0 0 446.963 5.563 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1Cl ZINC000017095107 557485524 /nfs/dbraw/zinc/48/55/24/557485524.db2.gz BIKRTLLKQAPKOA-UHFFFAOYSA-N 0 0 426.649 6.300 40 0 IKABRN NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 ZINC000017095200 557485691 /nfs/dbraw/zinc/48/56/91/557485691.db2.gz QXTWKIGFGRQQDT-ZRDIBKRKSA-N 0 0 426.925 5.291 40 0 IKABRN COc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000017095209 557485698 /nfs/dbraw/zinc/48/56/98/557485698.db2.gz WXMZYCOZFFZQOH-PKNBQFBNSA-N 0 0 426.925 5.443 40 0 IKABRN COc1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000017095205 557485754 /nfs/dbraw/zinc/48/57/54/557485754.db2.gz WSFHMAVZNAEOPO-ZRDIBKRKSA-N 0 0 426.925 5.443 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Cl)cc1Cl ZINC000017095236 557485764 /nfs/dbraw/zinc/48/57/64/557485764.db2.gz XHBOGGNNUMSSKK-ZZXKWVIFSA-N 0 0 427.114 7.212 40 0 IKABRN C[C@H](NC(=S)NC(=O)c1cccc2c(Cl)cccc12)C12CC3CC(CC(C3)C1)C2 ZINC000017095233 557485768 /nfs/dbraw/zinc/48/57/68/557485768.db2.gz JTQJNIRPSOZYBD-IOAHRDFVSA-N 0 0 427.013 5.702 40 0 IKABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000017095323 557486152 /nfs/dbraw/zinc/48/61/52/557486152.db2.gz XUVGCLXDTZFPRW-JTQLQIEISA-N 0 0 427.353 5.348 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 ZINC000017095404 557486156 /nfs/dbraw/zinc/48/61/56/557486156.db2.gz KCAVNFDGOPKDTN-GOSISDBHSA-N 0 0 427.500 5.991 40 0 IKABRN Cc1cc(C)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(C)c1 ZINC000017095330 557486168 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CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223563994 557486922 /nfs/dbraw/zinc/48/69/22/557486922.db2.gz CHGQRJUMJSXYJH-QFIPXVFZSA-N 0 0 447.044 5.546 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1 ZINC000017095885 557487009 /nfs/dbraw/zinc/48/70/09/557487009.db2.gz WAKNKHRSJHEKLT-UHFFFAOYSA-N 0 0 428.513 5.204 40 0 IKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)COc2ccc3c(c2)CCCC3)c1 ZINC000223567551 557487035 /nfs/dbraw/zinc/48/70/35/557487035.db2.gz DMNLLGPWUZIPJQ-UHFFFAOYSA-N 0 0 437.923 6.037 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)c(C)c1 ZINC000017095919 557487050 /nfs/dbraw/zinc/48/70/50/557487050.db2.gz ALONWZVOVIUJDU-UHFFFAOYSA-N 0 0 428.532 6.427 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 ZINC000017095944 557487352 /nfs/dbraw/zinc/48/73/52/557487352.db2.gz OSRYQJBLUSKNLI-SFHVURJKSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000017095933 557487394 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Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000017102688 557491241 /nfs/dbraw/zinc/49/12/41/557491241.db2.gz OJEYUHVJHVBEAK-OVCLIPMQSA-N 0 0 438.575 6.628 40 0 IKABRN COc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1NC(=O)c1ccccc1Cl ZINC000017102800 557491516 /nfs/dbraw/zinc/49/15/16/557491516.db2.gz YGVYXDSRRQUJCI-UHFFFAOYSA-N 0 0 438.911 5.640 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000223610900 557491525 /nfs/dbraw/zinc/49/15/25/557491525.db2.gz IKCAMOZXLVRQGE-QHCPKHFHSA-N 0 0 426.626 5.201 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 ZINC000223611331 557491565 /nfs/dbraw/zinc/49/15/65/557491565.db2.gz KNMVLFBPDCQPQX-DEOSSOPVSA-N 0 0 440.653 5.509 40 0 IKABRN CCCCc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000017102885 557491531 /nfs/dbraw/zinc/49/15/31/557491531.db2.gz PYNCDDWESGSDEV-JQIJEIRASA-N 0 0 438.980 6.469 40 0 IKABRN O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(Br)cc2)o1 ZINC000017103013 557491797 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557504810 /nfs/dbraw/zinc/50/48/10/557504810.db2.gz GPFZEMIBVYHTNX-GOSISDBHSA-N 0 0 429.004 5.124 40 0 IKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1sc2cc(Cl)ccc2c1Cl ZINC000019645689 557504827 /nfs/dbraw/zinc/50/48/27/557504827.db2.gz KFGYLEHDEJGTDD-UHFFFAOYSA-N 0 0 447.368 6.194 40 0 IKABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(C)c(C)c1 ZINC000019646411 557505091 /nfs/dbraw/zinc/50/50/91/557505091.db2.gz ASAGIGKVLKBCLS-UHFFFAOYSA-N 0 0 447.585 5.716 40 0 IKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)ccc3OC)cc2s1 ZINC000019646878 557505364 /nfs/dbraw/zinc/50/53/64/557505364.db2.gz FJWYTYZOMLKMDZ-UHFFFAOYSA-N 0 0 448.342 5.058 40 0 IKABRN CCOc1ccc(Nc2nc(Nc3ccc(OCC)cc3)nc(N3CCC(C)CC3)n2)cc1 ZINC000019647783 557505545 /nfs/dbraw/zinc/50/55/45/557505545.db2.gz LQYAQMXLTUMPLI-UHFFFAOYSA-N 0 0 448.571 5.393 40 0 IKABRN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc(C)c(C)c1 ZINC000019647841 557505627 /nfs/dbraw/zinc/50/56/27/557505627.db2.gz SDBYCIVXGBJPKS-SANMLTNESA-N 0 0 448.588 5.177 40 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ZINC000223721079 557506243 /nfs/dbraw/zinc/50/62/43/557506243.db2.gz HXNBGBMLMCBTSM-SFHVURJKSA-N 0 0 445.028 5.049 40 0 IKABRN CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000223725208 557506534 /nfs/dbraw/zinc/50/65/34/557506534.db2.gz MOHVDKKWKSDPOE-UHFFFAOYSA-N 0 0 432.339 5.062 40 0 IKABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000019630939 557506816 /nfs/dbraw/zinc/50/68/16/557506816.db2.gz ZHVAVFCVPQYLEW-UHFFFAOYSA-N 0 0 439.968 5.749 40 0 IKABRN CC(C)(C)c1ccccc1OCCNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000223731165 557506951 /nfs/dbraw/zinc/50/69/51/557506951.db2.gz ZTAWOAHQEBHVFC-UHFFFAOYSA-N 0 0 426.409 5.719 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2cccc3ccccc32)cc1 ZINC000019631720 557507001 /nfs/dbraw/zinc/50/70/01/557507001.db2.gz RTPOKEDURKQQOT-UHFFFAOYSA-N 0 0 440.499 5.024 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223732399 557507193 /nfs/dbraw/zinc/50/71/93/557507193.db2.gz JDYNGABQCDPZHG-VWLOTQADSA-N 0 0 438.612 5.186 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223739561 557507628 /nfs/dbraw/zinc/50/76/28/557507628.db2.gz BPNUGBOTNFITFE-SANMLTNESA-N 0 0 436.640 5.775 40 0 IKABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c2ccccc2O1 ZINC000223739018 557507688 /nfs/dbraw/zinc/50/76/88/557507688.db2.gz OOLZNEYUTQKEKX-BEFAXECRSA-N 0 0 432.358 5.415 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223741324 557507828 /nfs/dbraw/zinc/50/78/28/557507828.db2.gz UBKOIMJXHKOFFU-NRFANRHFSA-N 0 0 434.624 5.393 40 0 IKABRN COc1ccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)cc1C(C)C ZINC000223742022 557507882 /nfs/dbraw/zinc/50/78/82/557507882.db2.gz TYCQUMWJYBNUQG-UHFFFAOYSA-N 0 0 425.550 5.432 40 0 IKABRN CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000223741634 557507889 /nfs/dbraw/zinc/50/78/89/557507889.db2.gz TXTJAVPLKZPSRN-UHFFFAOYSA-N 0 0 446.994 5.184 40 0 IKABRN Cc1ccc([C@H](NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000223742144 557507921 /nfs/dbraw/zinc/50/79/21/557507921.db2.gz BFIFFSXLEGJJSM-RQARHRADSA-N 0 0 436.511 5.265 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 ZINC000223747018 557508624 /nfs/dbraw/zinc/50/86/24/557508624.db2.gz LEKMTUBYWADFIR-MSOLQXFVSA-N 0 0 446.395 5.091 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 ZINC000223746977 557508628 /nfs/dbraw/zinc/50/86/28/557508628.db2.gz LEKMTUBYWADFIR-ROUUACIJSA-N 0 0 446.395 5.091 40 0 IKABRN CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223746616 557508668 /nfs/dbraw/zinc/50/86/68/557508668.db2.gz QJLLTQVBYZPMGO-UHFFFAOYSA-N 0 0 437.561 5.403 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 ZINC000223748559 557508827 /nfs/dbraw/zinc/50/88/27/557508827.db2.gz GLLSYRDQCCGDSN-QFIPXVFZSA-N 0 0 447.044 5.297 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 ZINC000223748224 557508863 /nfs/dbraw/zinc/50/88/63/557508863.db2.gz HYFGXYFZUDFOLZ-JOCHJYFZSA-N 0 0 447.044 5.464 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223755511 557509287 /nfs/dbraw/zinc/50/92/87/557509287.db2.gz FEKWPGKRYOCXHZ-INIZCTEOSA-N 0 0 433.379 5.012 40 0 IKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1 ZINC000019856089 557509301 /nfs/dbraw/zinc/50/93/01/557509301.db2.gz OGKKMIDKGWDOGJ-UHFFFAOYSA-N 0 0 449.359 5.212 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1 ZINC000223756096 557509611 /nfs/dbraw/zinc/50/96/11/557509611.db2.gz AZHIIVNTCHMYNQ-RPBOFIJWSA-N 0 0 446.620 5.801 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223755988 557509638 /nfs/dbraw/zinc/50/96/38/557509638.db2.gz VXKBCSIPZVCZTD-MRXNPFEDSA-N 0 0 433.379 5.012 40 0 IKABRN Cc1ccccc1CN(C(=O)CSc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223757848 557509979 /nfs/dbraw/zinc/50/99/79/557509979.db2.gz WBYRXLUERZZWHP-SFHVURJKSA-N 0 0 445.028 5.217 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223768828 557510710 /nfs/dbraw/zinc/51/07/10/557510710.db2.gz XRAJEQVHBITZKQ-ZEQRLZLVSA-N 0 0 432.593 5.574 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 ZINC000223769246 557510966 /nfs/dbraw/zinc/51/09/66/557510966.db2.gz KCVQKRIIBICTFV-JWQCQUIFSA-N 0 0 440.572 5.366 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000223770472 557511026 /nfs/dbraw/zinc/51/10/26/557511026.db2.gz DUEITXJKYKTEMA-BJKOFHAPSA-N 0 0 444.535 5.197 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 ZINC000223770215 557511037 /nfs/dbraw/zinc/51/10/37/557511037.db2.gz BVQPCCSHSZEDGS-BJKOFHAPSA-N 0 0 444.535 5.197 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1C ZINC000019946862 557511068 /nfs/dbraw/zinc/51/10/68/557511068.db2.gz TVEXPOHPPDGUGO-UHFFFAOYSA-N 0 0 444.556 5.291 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(C)c(C)c2)cc1 ZINC000019947008 557511076 /nfs/dbraw/zinc/51/10/76/557511076.db2.gz MWGMGLRYRVTWAD-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(C)c(C)c2)cc1 ZINC000019946995 557511117 /nfs/dbraw/zinc/51/11/17/557511117.db2.gz UDOURFHOCXRXOT-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccc(C)c(C)c2)cc1 ZINC000019946999 557511126 /nfs/dbraw/zinc/51/11/26/557511126.db2.gz KHUJWJMZZQYBIT-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223770612 557511165 /nfs/dbraw/zinc/51/11/65/557511165.db2.gz IKSAEEODPZJUOL-ZEQRLZLVSA-N 0 0 444.535 5.197 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223776766 557511743 /nfs/dbraw/zinc/51/17/43/557511743.db2.gz XTNZIUUBHIFMSB-QHCPKHFHSA-N 0 0 429.004 5.305 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223776590 557511811 /nfs/dbraw/zinc/51/18/11/557511811.db2.gz ZEGMSHXXCYKYDM-OAQYLSRUSA-N 0 0 435.395 5.260 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223779717 557512023 /nfs/dbraw/zinc/51/20/23/557512023.db2.gz SYGSLCJMIVTFBE-OAHLLOKOSA-N 0 0 439.408 5.029 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000223778153 557512081 /nfs/dbraw/zinc/51/20/81/557512081.db2.gz WIEDFXUTFVURCZ-QHCPKHFHSA-N 0 0 445.003 5.059 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223780034 557512190 /nfs/dbraw/zinc/51/21/90/557512190.db2.gz ZOAXGESRCNKWFW-DNQXCXABSA-N 0 0 426.545 5.058 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223779942 557512275 /nfs/dbraw/zinc/51/22/75/557512275.db2.gz ZOAXGESRCNKWFW-RPWUZVMVSA-N 0 0 426.545 5.058 40 0 IKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223781425 557512410 /nfs/dbraw/zinc/51/24/10/557512410.db2.gz HWJBYUYBBLHVRI-SFHVURJKSA-N 0 0 433.017 5.074 40 0 IKABRN CCN(C(=O)Cn1c(=O)c2c(nc1-c1ccccc1)sc1c2CCCC1)c1ccccc1 ZINC000019996662 557512517 /nfs/dbraw/zinc/51/25/17/557512517.db2.gz DNGLQHZZELKRBX-UHFFFAOYSA-N 0 0 443.572 5.057 40 0 IKABRN Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)sc2c3CCCC2)c(C)c1 ZINC000019996392 557512536 /nfs/dbraw/zinc/51/25/36/557512536.db2.gz KZSOEVUEXKOXBG-UHFFFAOYSA-N 0 0 443.572 5.259 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223785662 557512933 /nfs/dbraw/zinc/51/29/33/557512933.db2.gz HFGGXMHRRADTEB-QHCPKHFHSA-N 0 0 429.004 5.223 40 0 IKABRN Cc1cccc(CSCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223788523 557513372 /nfs/dbraw/zinc/51/33/72/557513372.db2.gz XDFYWZBZXITSOY-NRFANRHFSA-N 0 0 438.637 5.013 40 0 IKABRN Cc1ccccc1CN(C(=O)CCc1cccc2ccccc21)[C@@H](C)C(=O)NC1CCCC1 ZINC000223787890 557513382 /nfs/dbraw/zinc/51/33/82/557513382.db2.gz QKSXLTUAZSGPIC-QFIPXVFZSA-N 0 0 442.603 5.557 40 0 IKABRN CC(C)c1ccccc1OCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000223787567 557513385 /nfs/dbraw/zinc/51/33/85/557513385.db2.gz MWPLARZJFSCQTM-UHFFFAOYSA-N 0 0 435.589 5.790 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000223789784 557513599 /nfs/dbraw/zinc/51/35/99/557513599.db2.gz YFWRRIJJASKVGP-DNQXCXABSA-N 0 0 432.593 5.411 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000223792547 557514113 /nfs/dbraw/zinc/51/41/13/557514113.db2.gz VIRZWZSWSPWTRU-BJKOFHAPSA-N 0 0 432.593 5.574 40 0 IKABRN Cc1ccc(CSCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223793398 557514323 /nfs/dbraw/zinc/51/43/23/557514323.db2.gz KZRFFCRUUGCZFQ-OAQYLSRUSA-N 0 0 438.637 5.013 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C ZINC000223792702 557514331 /nfs/dbraw/zinc/51/43/31/557514331.db2.gz FQWOBYSGBKPEQN-QFIPXVFZSA-N 0 0 445.003 5.059 40 0 IKABRN Cc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223792921 557514380 /nfs/dbraw/zinc/51/43/80/557514380.db2.gz CYFIHRSFFYBKSK-SFHVURJKSA-N 0 0 445.028 5.217 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 ZINC000223795971 557514601 /nfs/dbraw/zinc/51/46/01/557514601.db2.gz YTYVLKLPNXXPPQ-QFIPXVFZSA-N 0 0 447.044 5.297 40 0 IKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223804928 557515269 /nfs/dbraw/zinc/51/52/69/557515269.db2.gz RSVJDDFBTWDGAA-QFIPXVFZSA-N 0 0 448.651 5.701 40 0 IKABRN c1csc(CN(Cc2ccccc2)[C@@H](c2cccs2)c2nnnn2C2CCCC2)c1 ZINC000020098746 557515243 /nfs/dbraw/zinc/51/52/43/557515243.db2.gz YIQKXVVJKRXCDK-QFIPXVFZSA-N 0 0 435.622 5.703 40 0 IKABRN Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223806497 557515436 /nfs/dbraw/zinc/51/54/36/557515436.db2.gz XFBYOTNMVMHKBW-LJQANCHMSA-N 0 0 426.988 5.057 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C ZINC000223807191 557515464 /nfs/dbraw/zinc/51/54/64/557515464.db2.gz WYWGSNIJNDPMMC-JOCHJYFZSA-N 0 0 445.003 5.059 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000223808178 557515735 /nfs/dbraw/zinc/51/57/35/557515735.db2.gz XXCDUSLZXHBKPQ-QFIPXVFZSA-N 0 0 449.422 5.650 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223807867 557515737 /nfs/dbraw/zinc/51/57/37/557515737.db2.gz SUULLWKERHGGLB-XMMPIXPASA-N 0 0 443.031 5.559 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000223809022 557515996 /nfs/dbraw/zinc/51/59/96/557515996.db2.gz CHOQVKUQPWGREP-NRFANRHFSA-N 0 0 435.395 5.260 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223809040 557516003 /nfs/dbraw/zinc/51/60/03/557516003.db2.gz JMHFKFYQDMADTN-OAQYLSRUSA-N 0 0 435.395 5.260 40 0 IKABRN Cc1ccc(CN(C(=O)CCSCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223812461 557516270 /nfs/dbraw/zinc/51/62/70/557516270.db2.gz DLABRHUQMJGRJY-OAQYLSRUSA-N 0 0 438.637 5.094 40 0 IKABRN Cc1ccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813279 557516518 /nfs/dbraw/zinc/51/65/18/557516518.db2.gz YTCFQLNBWPOQMM-LJQANCHMSA-N 0 0 426.988 5.057 40 0 IKABRN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1Br ZINC000020158400 557516592 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0 0 441.015 5.311 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223832143 557518359 /nfs/dbraw/zinc/51/83/59/557518359.db2.gz KZANTELMEHQXDR-LOSJGSFVSA-N 0 0 441.556 5.917 40 0 IKABRN Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223830970 557518383 /nfs/dbraw/zinc/51/83/83/557518383.db2.gz BGPSQWYVJCVEPR-GOSISDBHSA-N 0 0 445.028 5.217 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223838078 557519115 /nfs/dbraw/zinc/51/91/15/557519115.db2.gz MYCNASSPLMVNMN-BJKOFHAPSA-N 0 0 432.593 5.574 40 0 IKABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000223839648 557519356 /nfs/dbraw/zinc/51/93/56/557519356.db2.gz CVVHHZLEWBWZGZ-MRXNPFEDSA-N 0 0 425.912 5.427 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000020411024 557520004 /nfs/dbraw/zinc/52/00/04/557520004.db2.gz NBNPRBAPCUVQIK-UHFFFAOYSA-N 0 0 427.869 5.056 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc(C)c1Cl ZINC000020411315 557520030 /nfs/dbraw/zinc/52/00/30/557520030.db2.gz HEBPKQJQJAGJJQ-UHFFFAOYSA-N 0 0 448.950 6.906 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020411301 557520063 /nfs/dbraw/zinc/52/00/63/557520063.db2.gz ZUPZHMCQKWKBSX-UHFFFAOYSA-N 0 0 428.532 6.759 40 0 IKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020411293 557520067 /nfs/dbraw/zinc/52/00/67/557520067.db2.gz RCTPTEMURJAUOQ-GOSISDBHSA-N 0 0 428.532 7.048 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1 ZINC000020411193 557520089 /nfs/dbraw/zinc/52/00/89/557520089.db2.gz SYGKRNKEDXNPBL-UHFFFAOYSA-N 0 0 425.315 7.177 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 ZINC000020411012 557520138 /nfs/dbraw/zinc/52/01/38/557520138.db2.gz BWPUETJHKJTOFX-UHFFFAOYSA-N 0 0 435.505 5.573 40 0 IKABRN O=C(Nc1nc2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2s1)c1ccco1 ZINC000020411051 557520143 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COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3o2)cc1OC ZINC000020411999 557520538 /nfs/dbraw/zinc/52/05/38/557520538.db2.gz XIZKZMILAPTMDU-VGOFMYFVSA-N 0 0 442.515 6.287 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)cc1OC ZINC000020412020 557520574 /nfs/dbraw/zinc/52/05/74/557520574.db2.gz LBHXUFCKHKJVEJ-UHFFFAOYSA-N 0 0 446.503 5.799 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 ZINC000020411850 557520582 /nfs/dbraw/zinc/52/05/82/557520582.db2.gz PJYZBSMQSYEHBO-UHFFFAOYSA-N 0 0 426.538 5.311 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)cc1OC ZINC000020411958 557520586 /nfs/dbraw/zinc/52/05/86/557520586.db2.gz DOKGCCHNTIVOJN-UHFFFAOYSA-N 0 0 432.476 5.552 40 0 IKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 ZINC000020411797 557520601 /nfs/dbraw/zinc/52/06/01/557520601.db2.gz SUNQQNYLUSJNFN-UHFFFAOYSA-N 0 0 430.529 5.632 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccco1 ZINC000223848977 557520593 /nfs/dbraw/zinc/52/05/93/557520593.db2.gz IGYPMHGMHNEBBS-DNQXCXABSA-N 0 0 444.560 5.024 40 0 IKABRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223850270 557520816 /nfs/dbraw/zinc/52/08/16/557520816.db2.gz OWDWABFMVXRGTG-RPWUZVMVSA-N 0 0 426.545 5.063 40 0 IKABRN O=C(NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc2ccccc21 ZINC000020412283 557520791 /nfs/dbraw/zinc/52/07/91/557520791.db2.gz ZPLHBYFBAQORLZ-UHFFFAOYSA-N 0 0 432.545 5.456 40 0 IKABRN COC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 ZINC000020412358 557520817 /nfs/dbraw/zinc/52/08/17/557520817.db2.gz HGTNKGQJRIEMOX-DHZHZOJOSA-N 0 0 438.892 5.648 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCCC1 ZINC000223854352 557521178 /nfs/dbraw/zinc/52/11/78/557521178.db2.gz MEQJGGIGYYZUGV-DQEYMECFSA-N 0 0 446.620 5.888 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000223855954 557521428 /nfs/dbraw/zinc/52/14/28/557521428.db2.gz WHAAOLQCVUPFRC-NRFANRHFSA-N 0 0 435.395 5.260 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000223861041 557521877 /nfs/dbraw/zinc/52/18/77/557521877.db2.gz VWRAGSOMFUYJPW-QGZVFWFLSA-N 0 0 447.406 5.402 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000223865166 557522321 /nfs/dbraw/zinc/52/23/21/557522321.db2.gz DHVLQODPKKHJSJ-MRXNPFEDSA-N 0 0 433.379 5.012 40 0 IKABRN Fc1ccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)cc1 ZINC000019644377 557522421 /nfs/dbraw/zinc/52/24/21/557522421.db2.gz SUSKMDXDGFGUQP-UHFFFAOYSA-N 0 0 446.375 6.548 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223867075 557522500 /nfs/dbraw/zinc/52/25/00/557522500.db2.gz RUZGLHWEGXGXIB-DNQXCXABSA-N 0 0 426.545 5.063 40 0 IKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223866824 557522545 /nfs/dbraw/zinc/52/25/45/557522545.db2.gz JFRWJHQLHHJACE-DNQXCXABSA-N 0 0 426.545 5.063 40 0 IKABRN CC(=O)N(CCN1C(=O)c2cccc3c(Cl)ccc(c32)C1=O)c1cccc2ccccc21 ZINC000020161659 557522617 /nfs/dbraw/zinc/52/26/17/557522617.db2.gz WOVSFFBWBFRRJF-UHFFFAOYSA-N 0 0 442.902 5.296 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223867235 557522851 /nfs/dbraw/zinc/52/28/51/557522851.db2.gz RUZGLHWEGXGXIB-ZEQRLZLVSA-N 0 0 426.545 5.063 40 0 IKABRN O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1C(=O)Nc1cccc2ccccc21 ZINC000003095520 557523244 /nfs/dbraw/zinc/52/32/44/557523244.db2.gz UVFBYYPQSUCYTQ-UHFFFAOYSA-N 0 0 435.310 6.651 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223870396 557523333 /nfs/dbraw/zinc/52/33/33/557523333.db2.gz WNWLXJZFHPTDSY-KRWDZBQOSA-N 0 0 449.422 5.603 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(CC)cc1 ZINC000223870271 557523341 /nfs/dbraw/zinc/52/33/41/557523341.db2.gz GAPZAYQDMONMJB-INIZCTEOSA-N 0 0 435.395 5.042 40 0 IKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000223872335 557523759 /nfs/dbraw/zinc/52/37/59/557523759.db2.gz SBALEFZNZKORSW-PKTZIBPZSA-N 0 0 431.492 5.363 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccccc1 ZINC000223879998 557524849 /nfs/dbraw/zinc/52/48/49/557524849.db2.gz PSDOHFUPCKWKIZ-HNNXBMFYSA-N 0 0 439.408 5.029 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C1CC1 ZINC000223888399 557525332 /nfs/dbraw/zinc/52/53/32/557525332.db2.gz YZCXZLRFDLZEQK-DNQXCXABSA-N 0 0 431.609 5.078 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C1CC1 ZINC000223888565 557525337 /nfs/dbraw/zinc/52/53/37/557525337.db2.gz YZCXZLRFDLZEQK-ZEQRLZLVSA-N 0 0 431.609 5.078 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C(C)C ZINC000223892501 557526135 /nfs/dbraw/zinc/52/61/35/557526135.db2.gz WQBWKDLKFJONJH-BJKOFHAPSA-N 0 0 433.625 5.324 40 0 IKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223895515 557526336 /nfs/dbraw/zinc/52/63/36/557526336.db2.gz OHWAMAPPYPRBCX-FQEVSTJZSA-N 0 0 438.587 5.358 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000223899353 557526756 /nfs/dbraw/zinc/52/67/56/557526756.db2.gz WSMVDWDFRYBROZ-JOCHJYFZSA-N 0 0 449.422 5.568 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000223899408 557526796 /nfs/dbraw/zinc/52/67/96/557526796.db2.gz WSMVDWDFRYBROZ-QFIPXVFZSA-N 0 0 449.422 5.568 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223910500 557527643 /nfs/dbraw/zinc/52/76/43/557527643.db2.gz NDUAWNBYTCVVLG-LOSJGSFVSA-N 0 0 440.572 5.585 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223910388 557527683 /nfs/dbraw/zinc/52/76/83/557527683.db2.gz NDUAWNBYTCVVLG-DQEYMECFSA-N 0 0 440.572 5.585 40 0 IKABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2CCCc3ccccc32)nc1 ZINC000223911714 557527904 /nfs/dbraw/zinc/52/79/04/557527904.db2.gz KHOMKAUEVLCAHM-UHFFFAOYSA-N 0 0 440.572 5.913 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223915762 557528318 /nfs/dbraw/zinc/52/83/18/557528318.db2.gz XJEOJCKKUOOREW-DNQXCXABSA-N 0 0 431.609 5.241 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223915868 557528378 /nfs/dbraw/zinc/52/83/78/557528378.db2.gz BINDJUFZMMWZCK-RPBOFIJWSA-N 0 0 445.636 5.631 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 ZINC000223916261 557528469 /nfs/dbraw/zinc/52/84/69/557528469.db2.gz OPYFABGIFHQMGV-MRXNPFEDSA-N 0 0 441.000 5.860 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223916082 557528506 /nfs/dbraw/zinc/52/85/06/557528506.db2.gz SCJDEJDWEPMFAU-RPBOFIJWSA-N 0 0 439.588 5.115 40 0 IKABRN CC1CCN(c2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)CC1 ZINC000223916047 557528509 /nfs/dbraw/zinc/52/85/09/557528509.db2.gz VZIHOMYJRXYOFY-UHFFFAOYSA-N 0 0 441.000 5.718 40 0 IKABRN CCCC[C@H](CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223918486 557528761 /nfs/dbraw/zinc/52/87/61/557528761.db2.gz DEBWICTVJWGEQT-KRWDZBQOSA-N 0 0 437.005 5.111 40 0 IKABRN C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C(C)(C)C)cc1 ZINC000223922929 557529516 /nfs/dbraw/zinc/52/95/16/557529516.db2.gz XRHYCDOPRVKLOE-SFHVURJKSA-N 0 0 436.577 5.276 40 0 IKABRN O=C(Nc1ccccc1Oc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223926093 557529712 /nfs/dbraw/zinc/52/97/12/557529712.db2.gz KDBSXSMQZCLVCV-UHFFFAOYSA-N 0 0 444.512 5.532 40 0 IKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F ZINC000003865102 557529773 /nfs/dbraw/zinc/52/97/73/557529773.db2.gz KVALJVQIKPOBBW-WCABVDHTSA-N 0 0 447.531 5.964 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223932199 557530466 /nfs/dbraw/zinc/53/04/66/557530466.db2.gz KKSVDBQHLXFKIR-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1c(Br)cnc(NC(=S)NCc2ccccc2Cl)c1Br ZINC000223933392 557530851 /nfs/dbraw/zinc/53/08/51/557530851.db2.gz NLHDPLYPXWQICB-UHFFFAOYSA-N 0 0 449.599 5.055 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223936337 557531324 /nfs/dbraw/zinc/53/13/24/557531324.db2.gz NPKAAUZJHINOFQ-JOCHJYFZSA-N 0 0 449.422 5.568 40 0 IKABRN Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223939680 557531607 /nfs/dbraw/zinc/53/16/07/557531607.db2.gz DUGVUVBUZSJCIP-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000223939729 557531662 /nfs/dbraw/zinc/53/16/62/557531662.db2.gz RRQYOBHNYVDDIR-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000223940876 557531712 /nfs/dbraw/zinc/53/17/12/557531712.db2.gz XVPQZFNZKJCAIM-INIZCTEOSA-N 0 0 433.379 5.012 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000223944580 557532149 /nfs/dbraw/zinc/53/21/49/557532149.db2.gz KZJJJYRFMHDROZ-JOCHJYFZSA-N 0 0 449.422 5.568 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000223944634 557532195 /nfs/dbraw/zinc/53/21/95/557532195.db2.gz KZJJJYRFMHDROZ-QFIPXVFZSA-N 0 0 449.422 5.568 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223944723 557532226 /nfs/dbraw/zinc/53/22/26/557532226.db2.gz AYPGJTSCXKCVOU-JOCHJYFZSA-N 0 0 449.422 5.568 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1C ZINC000223945157 557532415 /nfs/dbraw/zinc/53/24/15/557532415.db2.gz WRMZGWOQHMLHDC-HSZRJFAPSA-N 0 0 436.577 5.294 40 0 IKABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1C ZINC000223945215 557532563 /nfs/dbraw/zinc/53/25/63/557532563.db2.gz WRMZGWOQHMLHDC-QHCPKHFHSA-N 0 0 436.577 5.294 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000223945654 557532568 /nfs/dbraw/zinc/53/25/68/557532568.db2.gz FQAGALLFDOZWQU-HXUWFJFHSA-N 0 0 430.614 5.359 40 0 IKABRN CCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000223946382 557532798 /nfs/dbraw/zinc/53/27/98/557532798.db2.gz NGCCESCONXIGFP-UHFFFAOYSA-N 0 0 434.967 5.286 40 0 IKABRN Cc1cccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000223948828 557532999 /nfs/dbraw/zinc/53/29/99/557532999.db2.gz KBSNPIOWXQLJOT-UHFFFAOYSA-N 0 0 435.395 5.017 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)c2)c1 ZINC000223950610 557533268 /nfs/dbraw/zinc/53/32/68/557533268.db2.gz RZLRDISALURGRF-DEOSSOPVSA-N 0 0 436.577 5.313 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](c3ccccc3C)C(C)C)c2)c1 ZINC000223953087 557533466 /nfs/dbraw/zinc/53/34/66/557533466.db2.gz NZVFTKPDEMPIGO-DEOSSOPVSA-N 0 0 436.577 5.231 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](c3ccccc3C)C(C)C)c2)c1 ZINC000223953039 557533540 /nfs/dbraw/zinc/53/35/40/557533540.db2.gz NZVFTKPDEMPIGO-XMMPIXPASA-N 0 0 436.577 5.231 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000223956042 557533957 /nfs/dbraw/zinc/53/39/57/557533957.db2.gz WQPRXTVCQLICNL-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1 ZINC000223955109 557534099 /nfs/dbraw/zinc/53/40/99/557534099.db2.gz IYEKRUHCQRYRPT-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(CC)cc1 ZINC000223957656 557534300 /nfs/dbraw/zinc/53/43/00/557534300.db2.gz YZWFJTKSTFAKAD-INIZCTEOSA-N 0 0 435.395 5.042 40 0 IKABRN CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223960648 557534893 /nfs/dbraw/zinc/53/48/93/557534893.db2.gz GLIHESMPKKBUMH-VGSWGCGISA-N 0 0 449.422 5.648 40 0 IKABRN CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223960407 557534911 /nfs/dbraw/zinc/53/49/11/557534911.db2.gz NOFKITJUDFEZCI-IERDGZPVSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(C)c(C)c1 ZINC000223964040 557535359 /nfs/dbraw/zinc/53/53/59/557535359.db2.gz LYGPEZPDLMBSLA-QFIPXVFZSA-N 0 0 440.540 5.124 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(C)c(C)c1 ZINC000223963982 557535376 /nfs/dbraw/zinc/53/53/76/557535376.db2.gz LYGPEZPDLMBSLA-JOCHJYFZSA-N 0 0 440.540 5.124 40 0 IKABRN CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000223966441 557535598 /nfs/dbraw/zinc/53/55/98/557535598.db2.gz APLVYLDTTDVLPT-UHFFFAOYSA-N 0 0 426.513 5.221 40 0 IKABRN CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1 ZINC000223967872 557535934 /nfs/dbraw/zinc/53/59/34/557535934.db2.gz FRCMVKXSRATWDG-QHCPKHFHSA-N 0 0 440.540 5.144 40 0 IKABRN O=C(Nc1ccccc1-c1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000223966601 557535956 /nfs/dbraw/zinc/53/59/56/557535956.db2.gz LYFIDPZQXQHIAG-UHFFFAOYSA-N 0 0 446.503 5.546 40 0 IKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000223968997 557536077 /nfs/dbraw/zinc/53/60/77/557536077.db2.gz CJRWIXROZDVVFO-ZEQRLZLVSA-N 0 0 445.592 5.134 40 0 IKABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccc(C)c(C)c1 ZINC000223969575 557536425 /nfs/dbraw/zinc/53/64/25/557536425.db2.gz CPUUXDPBPSWWJD-QHCPKHFHSA-N 0 0 440.540 5.124 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)c(C)c1 ZINC000223971552 557536622 /nfs/dbraw/zinc/53/66/22/557536622.db2.gz UAHUHQSQIKEOQT-UHFFFAOYSA-N 0 0 430.614 5.357 40 0 IKABRN Fc1ccc(CCCNC(=S)Nc2ccc(Nc3ccc4ccccc4c3)nc2)cc1 ZINC000223970270 557536669 /nfs/dbraw/zinc/53/66/69/557536669.db2.gz YHDSTYUBTGMPAK-UHFFFAOYSA-N 0 0 430.552 6.037 40 0 IKABRN Cc1ccc([C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C(C)C)c(C)c1 ZINC000223971223 557536698 /nfs/dbraw/zinc/53/66/98/557536698.db2.gz KIXYKZPLEDQJGS-XMMPIXPASA-N 0 0 436.577 5.231 40 0 IKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223970529 557536726 /nfs/dbraw/zinc/53/67/26/557536726.db2.gz CMXRFOSQRMXVAQ-BJKOFHAPSA-N 0 0 447.608 5.216 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](c3ccccc3C)C(C)C)cc2)cc1 ZINC000223972229 557536963 /nfs/dbraw/zinc/53/69/63/557536963.db2.gz LPEIRUXGZWIPMI-DEOSSOPVSA-N 0 0 436.577 5.231 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000223971790 557536973 /nfs/dbraw/zinc/53/69/73/557536973.db2.gz KIRNDKAPVFNGIM-HXUWFJFHSA-N 0 0 430.614 5.359 40 0 IKABRN O=C(NCCCc1cccc2ccccc21)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000223971780 557536977 /nfs/dbraw/zinc/53/69/77/557536977.db2.gz ONPIJCFGGMIBEZ-UHFFFAOYSA-N 0 0 444.556 5.003 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000223977881 557538028 /nfs/dbraw/zinc/53/80/28/557538028.db2.gz IGNBNWWLMDVUBN-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223978274 557538145 /nfs/dbraw/zinc/53/81/45/557538145.db2.gz NCIZNXJLXIOEMQ-UHFFFAOYSA-N 0 0 446.981 5.505 40 0 IKABRN C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccc(Cl)cc4)CCCC3)cn2)C1 ZINC000223978589 557538359 /nfs/dbraw/zinc/53/83/59/557538359.db2.gz UJFZUZFOUNNDQP-GOSISDBHSA-N 0 0 443.060 5.770 40 0 IKABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1C ZINC000223979774 557538652 /nfs/dbraw/zinc/53/86/52/557538652.db2.gz IQLQGDQMRLRDHV-QFIPXVFZSA-N 0 0 442.968 5.330 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cn1 ZINC000223983645 557539143 /nfs/dbraw/zinc/53/91/43/557539143.db2.gz DUTOZNRXIONPDG-GOSISDBHSA-N 0 0 426.605 5.398 40 0 IKABRN C[C@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)C1 ZINC000223983568 557539191 /nfs/dbraw/zinc/53/91/91/557539191.db2.gz BLYPIKOMTKKYLS-SFHVURJKSA-N 0 0 426.605 5.255 40 0 IKABRN Cc1cc(Br)cnc1NC(=S)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000223987239 557539692 /nfs/dbraw/zinc/53/96/92/557539692.db2.gz STIWCOGXPSXGSS-UHFFFAOYSA-N 0 0 438.822 5.604 40 0 IKABRN C[C@H]1CCCN(c2ccc(NC(=S)NCC3(c4cccc(Cl)c4)CCCC3)cn2)C1 ZINC000223988530 557540196 /nfs/dbraw/zinc/54/01/96/557540196.db2.gz QNECEFVNERYYQI-SFHVURJKSA-N 0 0 443.060 5.770 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000223993356 557540898 /nfs/dbraw/zinc/54/08/98/557540898.db2.gz ZDAIAWUYYPNABR-UHFFFAOYSA-N 0 0 448.569 5.615 40 0 IKABRN C[C@@H]1C[C@H](C)CN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)C1 ZINC000223993506 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IKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224211794 557575866 /nfs/dbraw/zinc/57/58/66/557575866.db2.gz XRLZFFAQCZHHQF-LJQANCHMSA-N 0 0 437.967 5.987 40 0 IKABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1 ZINC000224211977 557575869 /nfs/dbraw/zinc/57/58/69/557575869.db2.gz KYYQASDTUYSVTN-LOSJGSFVSA-N 0 0 440.572 5.366 40 0 IKABRN COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1 ZINC000224212132 557575872 /nfs/dbraw/zinc/57/58/72/557575872.db2.gz ARBJCSIHFNWXGS-RPBOFIJWSA-N 0 0 440.572 5.366 40 0 IKABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1 ZINC000224211888 557575874 /nfs/dbraw/zinc/57/58/74/557575874.db2.gz KYYQASDTUYSVTN-JWQCQUIFSA-N 0 0 440.572 5.366 40 0 IKABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccccc1 ZINC000224212180 557575901 /nfs/dbraw/zinc/57/59/01/557575901.db2.gz ISQPJUWTIBGPNO-QHCPKHFHSA-N 0 0 436.577 5.010 40 0 IKABRN COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224214024 557576242 /nfs/dbraw/zinc/57/62/42/557576242.db2.gz MQGPGHCQHNSLLC-UHFFFAOYSA-N 0 0 437.539 6.180 40 0 IKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)cc1 ZINC000224214283 557576255 /nfs/dbraw/zinc/57/62/55/557576255.db2.gz LZUJIUSIPAJQPW-ZEQRLZLVSA-N 0 0 443.597 6.311 40 0 IKABRN Cc1cc(C)cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000224215831 557576393 /nfs/dbraw/zinc/57/63/93/557576393.db2.gz ZLFCLKBDLIIBEI-UHFFFAOYSA-N 0 0 442.968 5.343 40 0 IKABRN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224215501 557576443 /nfs/dbraw/zinc/57/64/43/557576443.db2.gz HIWQAKQQMQUYJE-UHFFFAOYSA-N 0 0 437.539 6.810 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224216308 557576642 /nfs/dbraw/zinc/57/66/42/557576642.db2.gz DQNWWWCHQANGGV-UHFFFAOYSA-N 0 0 427.475 6.333 40 0 IKABRN COc1cccc(NC(=O)c2ccc(OC)c(COc3ccc(-c4ccccc4)cc3)c2)c1 ZINC000224218407 557576786 /nfs/dbraw/zinc/57/67/86/557576786.db2.gz FUJMNEMYXCULDJ-UHFFFAOYSA-N 0 0 439.511 6.202 40 0 IKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000224224868 557577426 /nfs/dbraw/zinc/57/74/26/557577426.db2.gz MMSUWEMMFMAZLY-HSZRJFAPSA-N 0 0 426.988 5.057 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1nccs1 ZINC000224226627 557577670 /nfs/dbraw/zinc/57/76/70/557577670.db2.gz PXRBXTHPNXPVLK-FGZHOGPDSA-N 0 0 445.617 5.431 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)nc1 ZINC000224226855 557577841 /nfs/dbraw/zinc/57/78/41/557577841.db2.gz NCVHQOZXJAGVAK-DNQXCXABSA-N 0 0 425.561 5.061 40 0 IKABRN Cc1cccc(CN(C(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224226775 557577847 /nfs/dbraw/zinc/57/78/47/557577847.db2.gz OKISPDKDVGVXED-SANMLTNESA-N 0 0 442.603 5.092 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000224227183 557577850 /nfs/dbraw/zinc/57/78/50/557577850.db2.gz UBSVMMDDTISTLQ-NRFANRHFSA-N 0 0 433.017 5.074 40 0 IKABRN COc1ccc(CCNC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 ZINC000224227096 557577876 /nfs/dbraw/zinc/57/78/76/557577876.db2.gz NJJJYYSWOVETJR-UHFFFAOYSA-N 0 0 433.548 5.379 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 ZINC000224228686 557577961 /nfs/dbraw/zinc/57/79/61/557577961.db2.gz WAMLOBSUDUMGFF-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1COc1ccccc1C(C)C ZINC000224228531 557577989 /nfs/dbraw/zinc/57/79/89/557577989.db2.gz UBRHSURLGSNEAG-UHFFFAOYSA-N 0 0 425.528 6.803 40 0 IKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1C(C)C ZINC000224229839 557578284 /nfs/dbraw/zinc/57/82/84/557578284.db2.gz RMYPIKUNSCBMOM-UHFFFAOYSA-N 0 0 444.358 6.957 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000224231297 557578586 /nfs/dbraw/zinc/57/85/86/557578586.db2.gz FGJLEZUCUOTZJH-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1C(C)C ZINC000224230477 557578607 /nfs/dbraw/zinc/57/86/07/557578607.db2.gz LMCHMCLJCHKROT-UHFFFAOYSA-N 0 0 443.465 6.669 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1C1CCCCC1 ZINC000224232613 557578687 /nfs/dbraw/zinc/57/86/87/557578687.db2.gz QMQMVMAYKAOIRB-IZZNHLLZSA-N 0 0 444.648 6.491 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1C1CCCC1 ZINC000224232349 557578727 /nfs/dbraw/zinc/57/87/27/557578727.db2.gz ZBDXELLJNKOOSP-JWQCQUIFSA-N 0 0 430.621 6.101 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1C1CCCC1 ZINC000224232399 557578739 /nfs/dbraw/zinc/57/87/39/557578739.db2.gz ZBDXELLJNKOOSP-RPBOFIJWSA-N 0 0 430.621 6.101 40 0 IKABRN CSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000224233765 557578966 /nfs/dbraw/zinc/57/89/66/557578966.db2.gz GRLLEIXOCPXBAJ-UHFFFAOYSA-N 0 0 446.981 5.139 40 0 IKABRN CN(c1ccc(C(=O)NC2CCCCCCC2)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224235543 557579060 /nfs/dbraw/zinc/57/90/60/557579060.db2.gz BPERQYCZTOTAON-UHFFFAOYSA-N 0 0 434.989 5.008 40 0 IKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl ZINC000224235778 557579248 /nfs/dbraw/zinc/57/92/48/557579248.db2.gz XGILEFRMLPORPR-DEOSSOPVSA-N 0 0 441.015 5.447 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1C(C)C ZINC000224235797 557579251 /nfs/dbraw/zinc/57/92/51/557579251.db2.gz IRMKRQBPHBMZCN-UHFFFAOYSA-N 0 0 432.520 5.608 40 0 IKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1C(C)C ZINC000224236245 557579285 /nfs/dbraw/zinc/57/92/85/557579285.db2.gz KHRFBGIARHITME-NRFANRHFSA-N 0 0 431.576 6.149 40 0 IKABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224236728 557579296 /nfs/dbraw/zinc/57/92/96/557579296.db2.gz AKNITXJZJNNGEI-HXUWFJFHSA-N 0 0 443.031 5.586 40 0 IKABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000224238073 557579435 /nfs/dbraw/zinc/57/94/35/557579435.db2.gz SNQKGIJBNRZHQF-QGZVFWFLSA-N 0 0 435.395 5.116 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000224238643 557579473 /nfs/dbraw/zinc/57/94/73/557579473.db2.gz RNTPZUBHUDCDBP-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 ZINC000224238799 557579637 /nfs/dbraw/zinc/57/96/37/557579637.db2.gz MEJCONVIBKHOLB-UHFFFAOYSA-N 0 0 442.968 5.343 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000224239445 557579653 /nfs/dbraw/zinc/57/96/53/557579653.db2.gz VDBZQUDIOMMZAE-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN CCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000224239835 557579805 /nfs/dbraw/zinc/57/98/05/557579805.db2.gz BWSJMWYZGIEHQP-UHFFFAOYSA-N 0 0 442.968 5.288 40 0 IKABRN Cc1cccc(CSCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224240419 557579811 /nfs/dbraw/zinc/57/98/11/557579811.db2.gz YSZWOTSDODGBEC-IBGZPJMESA-N 0 0 447.044 5.071 40 0 IKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 ZINC000224242525 557580120 /nfs/dbraw/zinc/58/01/20/557580120.db2.gz WXAXGBWFTIPJAE-DEOSSOPVSA-N 0 0 438.637 5.262 40 0 IKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)c1 ZINC000224243237 557580173 /nfs/dbraw/zinc/58/01/73/557580173.db2.gz NUYFAHOYCQQJMX-BJKOFHAPSA-N 0 0 428.536 5.497 40 0 IKABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1 ZINC000224244130 557580268 /nfs/dbraw/zinc/58/02/68/557580268.db2.gz AIUQGBOFUMKGIY-JWQCQUIFSA-N 0 0 440.572 5.366 40 0 IKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000224243717 557580332 /nfs/dbraw/zinc/58/03/32/557580332.db2.gz MHLDQAIIAUADGB-DEOSSOPVSA-N 0 0 438.637 5.343 40 0 IKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)c1 ZINC000224244504 557580520 /nfs/dbraw/zinc/58/05/20/557580520.db2.gz YYPQHAXGAQOQOE-ZEQRLZLVSA-N 0 0 426.545 5.063 40 0 IKABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 ZINC000224244450 557580567 /nfs/dbraw/zinc/58/05/67/557580567.db2.gz JYICRBICVJEBQA-DQEYMECFSA-N 0 0 440.572 5.366 40 0 IKABRN COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccccc1OC ZINC000224244740 557580580 /nfs/dbraw/zinc/58/05/80/557580580.db2.gz MFYDGTQINMDUAR-UHFFFAOYSA-N 0 0 445.559 5.378 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc(C)c1Br ZINC000224244575 557580595 /nfs/dbraw/zinc/58/05/95/557580595.db2.gz HLFLPHNINXEYDM-UHFFFAOYSA-N 0 0 425.326 5.069 40 0 IKABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000224245813 557580712 /nfs/dbraw/zinc/58/07/12/557580712.db2.gz VXFQKYSLYRESFK-GOSISDBHSA-N 0 0 433.017 5.012 40 0 IKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)c1 ZINC000224246706 557580881 /nfs/dbraw/zinc/58/08/81/557580881.db2.gz SPGBZTIAACPXNP-RPWUZVMVSA-N 0 0 443.597 6.311 40 0 IKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)c1 ZINC000224246791 557580899 /nfs/dbraw/zinc/58/08/99/557580899.db2.gz SPGBZTIAACPXNP-DNQXCXABSA-N 0 0 443.597 6.311 40 0 IKABRN COc1cccc(OCc2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2OC)c1 ZINC000224250392 557581299 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5.973 40 0 IKABRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000122618164 557835301 /nfs/dbraw/zinc/83/53/01/557835301.db2.gz XHQVLSIVZIPGLE-JHMOMEIGSA-N 0 0 446.628 5.345 40 0 IKABRN CCOc1ccc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc32)c2ccccc12 ZINC000231426759 557836021 /nfs/dbraw/zinc/83/60/21/557836021.db2.gz JXJMLGKVNAOHEX-UHFFFAOYSA-N 0 0 444.556 5.037 40 0 IKABRN CC(=O)O[C@@]12CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]1(C)CC[C@@H](O)C2 ZINC000123246604 557837274 /nfs/dbraw/zinc/83/72/74/557837274.db2.gz HBEWKQFSPOXTPI-DAECALLPSA-N 0 0 446.716 7.154 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@H]2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@H]1O ZINC000123242327 557837320 /nfs/dbraw/zinc/83/73/20/557837320.db2.gz PJMRSXHCPMQGJA-OKCNFVLPSA-N 0 0 446.716 7.010 40 0 IKABRN Cc1cccc(C2=N/C(=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=O)O2)c1 ZINC000096544528 557838512 /nfs/dbraw/zinc/83/85/12/557838512.db2.gz CKEBNJFUUDXFKG-XKZIYDEJSA-N 0 0 438.310 6.225 40 0 IKABRN O[C@H](Cn1c2ccccc2nc1C(F)(F)F)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000028297136 557840737 /nfs/dbraw/zinc/84/07/37/557840737.db2.gz NPYBJKAIWJSSGQ-AWEZNQCLSA-N 0 0 447.888 5.603 40 0 IKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)cc1 ZINC000000888261 557856890 /nfs/dbraw/zinc/85/68/90/557856890.db2.gz VOXAFLGBJYGGLP-UHFFFAOYSA-N 0 0 428.561 5.206 40 0 IKABRN O=C1c2cc3c(cc2[C@@H]2C[C@@H](OCc4ccccc4)CC[C@H]2N1Cc1ccccc1)OCO3 ZINC000247798826 560036885 /nfs/dbraw/zinc/03/68/85/560036885.db2.gz DSTSQAROMMWVIN-UMXIMWEHSA-N 0 0 441.527 5.293 40 0 biogenic,in-vitro IKABRN COc1ccc(NC[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cccnc4)o3)C[C@H]2C(C)C)cn1 ZINC000030882966 560089670 /nfs/dbraw/zinc/08/96/70/560089670.db2.gz QFCWYZCUVQUJLM-ONTIZHBOSA-N 0 0 433.556 5.044 40 0 biogenic,in-vitro IKABRN CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1 ZINC000031162975 560090332 /nfs/dbraw/zinc/09/03/32/560090332.db2.gz NXAFAINHPNBMLG-UHFFFAOYSA-N 0 0 426.509 6.168 40 0 biogenic,in-vitro IKABRN O=C(C1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(/C=C/c3ccc(Cl)cc3)ccc12 ZINC000004237250 560197752 /nfs/dbraw/zinc/19/77/52/560197752.db2.gz ROGFEQBELJFWHZ-ZORGVRQLSA-N 0 0 436.983 5.198 40 0 biogenic,in-vitro IKABRN O=C(Nc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cc4ccccc4s3)c12 ZINC000004237418 560197787 /nfs/dbraw/zinc/19/77/87/560197787.db2.gz CSTNUKMHPDFSAZ-PKOBYXMFSA-N 0 0 441.556 5.381 40 0 biogenic,in-vitro IKABRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@H]1C=C[C@@H](OC(=O)Nc2cccc(F)c2)C1 ZINC000008624081 560210046 /nfs/dbraw/zinc/21/00/46/560210046.db2.gz IDQFLQQTOYDDHF-LAUBAEHRSA-N 0 0 439.918 6.251 40 0 biogenic,in-vitro IKABRN Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)C2CCCCC2)C1 ZINC000008624051 560210050 /nfs/dbraw/zinc/21/00/50/560210050.db2.gz RARJPYUXDAWUBF-UYAOXDASSA-N 0 0 431.502 5.617 40 0 biogenic,in-vitro IKABRN Cc1nn(-c2ccc(Cl)cc2C)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC000008636127 560210545 /nfs/dbraw/zinc/21/05/45/560210545.db2.gz UZCPYPWNSMNQRR-IFMALSPDSA-N 0 0 448.998 5.359 40 0 biogenic,in-vitro IKABRN O=C(C[C@H](Sc1cccc2cccnc21)c1ccc(OC(F)F)cc1)c1ccco1 ZINC000001098201 562920492 /nfs/dbraw/zinc/92/04/92/562920492.db2.gz SOHASHHVCVTIFD-NRFANRHFSA-N 0 0 425.456 6.536 40 0 IKABRN C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000004074031 562941481 /nfs/dbraw/zinc/94/14/81/562941481.db2.gz LPZCCMIISIBREI-JXMPMKKESA-N 0 0 426.729 8.191 40 0 biogenic,in-vitro IKABRN C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000004074029 562941487 /nfs/dbraw/zinc/94/14/87/562941487.db2.gz LPZCCMIISIBREI-TVLDHFOLSA-N 0 0 426.729 8.191 40 0 biogenic IKABRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000004654608 562943457 /nfs/dbraw/zinc/94/34/57/562943457.db2.gz ONQRKEUAIJMULO-YBXTVTTCSA-N 0 0 426.729 8.169 40 0 biogenic,in-vitro IKABRN Cc1cc2c(cccc2NC(=O)N[C@@H]2CC(CF)(CF)Oc3cc(Cl)ccc32)cn1 ZINC000068204986 563161168 /nfs/dbraw/zinc/16/11/68/563161168.db2.gz VJJGAJAUECQWSZ-LJQANCHMSA-N 0 0 431.870 5.520 40 0 IKABRN CC(C)N(CCO)Cc1csc(-c2cn(CC3CCOCC3)c3c2cccc3Cl)n1 ZINC000071318879 563162216 /nfs/dbraw/zinc/16/22/16/563162216.db2.gz VCUDJYYRRWZBSA-UHFFFAOYSA-N 0 0 448.032 5.048 40 0 IKABRN CCOc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000000879514 568620473 /nfs/dbraw/zinc/62/04/73/568620473.db2.gz NAIJVJVIHQHEEH-UHFFFAOYSA-N 0 0 439.556 5.208 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)c(C)cc3Br)o2)c1 ZINC000034869216 568622766 /nfs/dbraw/zinc/62/27/66/568622766.db2.gz POTKKLYQUUBEIJ-UHFFFAOYSA-N 0 0 432.343 5.155 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000057351118 568625857 /nfs/dbraw/zinc/62/58/57/568625857.db2.gz OLPVPPIWSPAFMH-WYMLVPIESA-N 0 0 440.890 5.986 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1C ZINC000223181772 568626642 /nfs/dbraw/zinc/62/66/42/568626642.db2.gz MLXJDUJNCRSNKO-IBGZPJMESA-N 0 0 448.588 5.084 40 0 IKABRN O=C(Cn1c(=O)sc2cccc(Cl)c21)OCc1ccc(COc2ccccc2)cc1 ZINC000001070071 568639173 /nfs/dbraw/zinc/63/91/73/568639173.db2.gz YUYYLAFSLIKOTL-UHFFFAOYSA-N 0 0 439.920 5.039 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(O)c2)c2ccccc2)c1C ZINC000026770790 568738802 /nfs/dbraw/zinc/73/88/02/568738802.db2.gz MXJPAMOZJXFMSA-DEOSSOPVSA-N 0 0 428.557 6.524 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(F)c2)c2ccccc2)c1C ZINC000026770788 568738850 /nfs/dbraw/zinc/73/88/50/568738850.db2.gz HMYQFBUIBKFPIN-XMMPIXPASA-N 0 0 430.548 6.958 40 0 IKABRN O=C(Nc1ccccc1)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC000026780018 568738911 /nfs/dbraw/zinc/73/89/11/568738911.db2.gz MOHCUNAQDUNQBS-UHFFFAOYSA-N 0 0 436.320 5.438 40 0 IKABRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000026780034 568739038 /nfs/dbraw/zinc/73/90/38/568739038.db2.gz PIYYYODFYXTHTO-UHFFFAOYSA-N 0 0 449.882 5.033 40 0 IKABRN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000004074096 568760482 /nfs/dbraw/zinc/76/04/82/568760482.db2.gz XGDVSJLOTVQNKY-UBPWOKNVSA-N 0 0 440.712 7.446 40 0 biogenic IKABRN Nc1c(Br)cc2oc(-c3cc(Cl)cc(Cl)c3)nc2c1Br ZINC000070461366 568782801 /nfs/dbraw/zinc/78/28/01/568782801.db2.gz VJVQLFKKSFJGDD-UHFFFAOYSA-N 0 0 436.918 5.909 40 0 IKABRN Nc1c(Br)cc2nc(-c3ccc(Cl)cc3Cl)oc2c1Br ZINC000070461362 568782840 /nfs/dbraw/zinc/78/28/40/568782840.db2.gz MMFGQJYHFILGAZ-UHFFFAOYSA-N 0 0 436.918 5.909 40 0 IKABRN O=C1c2ccccc2C(=O)N1CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000077311973 568784897 /nfs/dbraw/zinc/78/48/97/568784897.db2.gz HBVJWKXCFVAHNT-NRFANRHFSA-N 0 0 425.406 5.512 40 0 in-vitro IKABRN O=C(Cc1cccc2ccccc21)Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21 ZINC000055184966 568784906 /nfs/dbraw/zinc/78/49/06/568784906.db2.gz JCMRXPLXUHWJKN-PWGHIRGTSA-N 0 0 436.599 6.622 40 0 IKABRN O=C(Cc1cccc2ccccc21)Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@@H]21 ZINC000055184968 568784950 /nfs/dbraw/zinc/78/49/50/568784950.db2.gz JCMRXPLXUHWJKN-CEWHCAETSA-N 0 0 436.599 6.622 40 0 IKABRN O=C(Cc1cccc2ccccc21)Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@@H]21 ZINC000055184964 568784990 /nfs/dbraw/zinc/78/49/90/568784990.db2.gz JCMRXPLXUHWJKN-QMWXCIFZSA-N 0 0 436.599 6.622 40 0 IKABRN COc1c(C)c(C)c(O)c(C)c1C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000077302439 568784993 /nfs/dbraw/zinc/78/49/93/568784993.db2.gz OSASXCLFHSTYLS-OLOZJIBXSA-N 0 0 444.744 9.254 40 0 in-vitro IKABRN O=C(Nc1ccc(F)cc1F)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000866943 568787522 /nfs/dbraw/zinc/78/75/22/568787522.db2.gz FPNJXFNVJLHURZ-AAEUAGOBSA-N 0 0 446.763 5.320 40 0 IKABRN COc1cc(C=CC(=O)Nc2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1C ZINC000000938672 568787695 /nfs/dbraw/zinc/78/76/95/568787695.db2.gz APYQJZBLJGVLDG-ZRDIBKRKSA-N 0 0 436.533 5.202 40 0 IKABRN CCOc1ccc(-c2csc(NC(=O)/C=C/c3ccc(OC(C)C)c(OC)c3)n2)cc1 ZINC000000959394 568787749 /nfs/dbraw/zinc/78/77/49/568787749.db2.gz NEDCVFGMUSCQIM-NTUHNPAUSA-N 0 0 438.549 5.657 40 0 IKABRN Cc1sc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)nc1-c1ccccc1 ZINC000001781744 568788062 /nfs/dbraw/zinc/78/80/62/568788062.db2.gz SCNFIIYNBHYOFM-SAPNQHFASA-N 0 0 426.541 6.349 40 0 IKABRN CCCCOc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 ZINC000001791067 568788064 /nfs/dbraw/zinc/78/80/64/568788064.db2.gz WDYAFLLEPQHTIM-UHFFFAOYSA-N 0 0 431.355 6.004 40 0 IKABRN CCc1ccc(OCCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(Br)c1 ZINC000001791485 568788077 /nfs/dbraw/zinc/78/80/77/568788077.db2.gz QFMJNSDNXDVDBS-UHFFFAOYSA-N 0 0 448.357 5.374 40 0 IKABRN CCCCCOc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc1OC ZINC000001799565 568788203 /nfs/dbraw/zinc/78/82/03/568788203.db2.gz XTPPNQXTBMFGKE-HTXNQAPBSA-N 0 0 429.560 6.183 40 0 IKABRN COC(=O)c1c(NC(=O)/C(Br)=C/c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000001809137 568788212 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CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(OC)cc2Br)o1 ZINC000057353800 568930330 /nfs/dbraw/zinc/93/03/30/568930330.db2.gz LLSFHDOCTPPSGD-FNORWQNLSA-N 0 0 430.092 5.057 40 0 IKABRN CCCCOC(=O)CCCCCCCCCCP(=O)(OCCCC)OCCCC ZINC000004429437 569155374 /nfs/dbraw/zinc/15/53/74/569155374.db2.gz UJLUQSLJHCNRMV-UHFFFAOYSA-N 0 0 434.598 7.667 40 0 IKABRN O=C(Cn1nc(COc2ccccc2)n(Cc2ccccc2)c1=S)c1ccc(F)cc1 ZINC000016768912 569161471 /nfs/dbraw/zinc/16/14/71/569161471.db2.gz MSZWPSVDSDTWNB-UHFFFAOYSA-N 0 0 433.508 5.063 40 0 IKABRN CCOc1ccc(C(=O)Cn2nc(COc3ccc(C(C)(C)C)cc3)oc2=S)cc1 ZINC000016769022 569161492 /nfs/dbraw/zinc/16/14/92/569161492.db2.gz SBWOZWRONUOXKZ-UHFFFAOYSA-N 0 0 426.538 5.364 40 0 IKABRN CCc1ccc(N(CC(=O)c2ccc(Oc3ccccc3)cc2)C2=NCCCS2)cc1 ZINC000016768891 569161503 /nfs/dbraw/zinc/16/15/03/569161503.db2.gz BTZJNJUAGHIXSH-UHFFFAOYSA-N 0 0 430.573 6.224 40 0 IKABRN Cc1ccc(SCc2nn(CC(=O)c3ccccc3)c(=S)n2-c2ccccc2)cc1 ZINC000016768713 569161512 /nfs/dbraw/zinc/16/15/12/569161512.db2.gz 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QNSOLNTUOHDFHC-UHFFFAOYSA-N 0 0 446.595 5.116 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)OCCCO3)n1 ZINC000019691272 569227696 /nfs/dbraw/zinc/22/76/96/569227696.db2.gz UVWHUYCMGMWTCM-DEOSSOPVSA-N 0 0 446.522 5.264 40 0 IKABRN CCn1nc2c(c1C(=O)N1CCC[C@@H]1c1cc(-c3ccc(F)cc3)cc(C)n1)CCCC2 ZINC000019691246 569227705 /nfs/dbraw/zinc/22/77/05/569227705.db2.gz ODOSGAXLCZRSGI-XMMPIXPASA-N 0 0 432.543 5.269 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)n1 ZINC000019691229 569227706 /nfs/dbraw/zinc/22/77/06/569227706.db2.gz NVQSLHIRJTTYGX-QHCPKHFHSA-N 0 0 443.522 5.028 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3nccc4ccccc43)CC2)n1 ZINC000019691154 569227719 /nfs/dbraw/zinc/22/77/19/569227719.db2.gz XKAFZMHYZUNXMC-UHFFFAOYSA-N 0 0 425.507 5.764 40 0 IKABRN COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cn5cccc(C)c5n4)CC3)c2)cc1 ZINC000019691140 569227722 /nfs/dbraw/zinc/22/77/22/569227722.db2.gz IGYQOQKRSYJXLB-UHFFFAOYSA-N 0 0 440.547 5.042 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)n1 ZINC000019691289 569227796 /nfs/dbraw/zinc/22/77/96/569227796.db2.gz DYKXVKXCUFXBOS-XMMPIXPASA-N 0 0 428.511 5.369 40 0 IKABRN Cc1nc2ccc(C(=O)N3CCO[C@H](c4ccc(Cc5ccc(C)cc5)cn4)C3)cc2s1 ZINC000019692226 569227800 /nfs/dbraw/zinc/22/78/00/569227800.db2.gz KZZPTIRAOCHLNG-DEOSSOPVSA-N 0 0 443.572 5.113 40 0 IKABRN COc1ccc(OC)c(CC(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 ZINC000019691458 569227816 /nfs/dbraw/zinc/22/78/16/569227816.db2.gz IIPNRVOWSPFPIY-DEOSSOPVSA-N 0 0 434.511 5.120 40 0 IKABRN COc1ccc(OC)c(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 ZINC000019691457 569227818 /nfs/dbraw/zinc/22/78/18/569227818.db2.gz IIPNRVOWSPFPIY-XMMPIXPASA-N 0 0 434.511 5.120 40 0 IKABRN COc1cccc(-c2ccc([C@@H]3CN(C(=O)c4cc5ccc(Cl)cc5[nH]4)CCO3)nc2)c1 ZINC000019693104 569228545 /nfs/dbraw/zinc/22/85/45/569228545.db2.gz XUNFHMRZEFEJAI-DEOSSOPVSA-N 0 0 447.922 5.106 40 0 IKABRN Cc1c(CN2CCO[C@@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)oc2ccccc12 ZINC000019703307 569233054 /nfs/dbraw/zinc/23/30/54/569233054.db2.gz STAFLXCTDUJHQH-OAQYLSRUSA-N 0 0 449.576 5.063 40 0 IKABRN O=C(CCCc1ccc(F)cc1)N1CC[C@@H](c2cc(COc3ccc(Cl)cc3)n[nH]2)C1 ZINC000019704339 569233357 /nfs/dbraw/zinc/23/33/57/569233357.db2.gz LGGFSFRLIVGRKY-GOSISDBHSA-N 0 0 441.934 5.120 40 0 IKABRN CCN(C(=O)c1scnc1C)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 ZINC000019711972 569235038 /nfs/dbraw/zinc/23/50/38/569235038.db2.gz LEURNDAOJPJOAM-FCHUYYIVSA-N 0 0 442.531 5.779 40 0 IKABRN CCN(C(=O)c1ccc2c(c1)CCCC2)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 ZINC000019711976 569235080 /nfs/dbraw/zinc/23/50/80/569235080.db2.gz STKMVUFOXVTUQB-RRPNLBNLSA-N 0 0 441.575 5.405 40 0 IKABRN CCN(C(=O)c1cnc(C)cn1)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 ZINC000019712005 569235108 /nfs/dbraw/zinc/23/51/08/569235108.db2.gz PQBFNDQOXADGBP-LADGPHEKSA-N 0 0 437.490 5.113 40 0 IKABRN C[C@@]12CCN(C(=O)C3CCCC3)[C@@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000019713689 569235673 /nfs/dbraw/zinc/23/56/73/569235673.db2.gz SGMFWAALFLRCRH-NFBKMPQASA-N 0 0 436.518 5.158 40 0 IKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)c1ccccc1 ZINC000019856267 569239722 /nfs/dbraw/zinc/23/97/22/569239722.db2.gz QCAFTYGDRKCSNR-UHFFFAOYSA-N 0 0 449.359 5.212 40 0 IKABRN COc1ccc(C)cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000020239774 569241211 /nfs/dbraw/zinc/24/12/11/569241211.db2.gz SAMMUFNXXJYVTJ-RUZDIDTESA-N 0 0 432.545 5.030 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000020310411 569241496 /nfs/dbraw/zinc/24/14/96/569241496.db2.gz AHQGBTJUQBJWCN-UHELIVMKSA-N 0 0 436.592 6.107 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000020571386 569241515 /nfs/dbraw/zinc/24/15/15/569241515.db2.gz FJSCMHHHKVQXFE-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)C(=C3CC[C@H]2C1)CC[C@@H]4[C@H](C)CC[C@H](C)C(C)C ZINC000025552581 569242030 /nfs/dbraw/zinc/24/20/30/569242030.db2.gz LALAQRGFSWBMHR-ASBXWIOOSA-N 0 0 442.728 8.350 40 0 IKABRN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC[C@]21C ZINC000025555223 569242049 /nfs/dbraw/zinc/24/20/49/569242049.db2.gz ORGPIPGUNTVRMI-LTFXRZNRSA-N 0 0 430.629 6.086 40 0 IKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000028206926 569242615 /nfs/dbraw/zinc/24/26/15/569242615.db2.gz ZKMVDEVNVRALBO-HNNXBMFYSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1C ZINC000028208689 569242754 /nfs/dbraw/zinc/24/27/54/569242754.db2.gz XHKZBYGREVZRMJ-UHFFFAOYSA-N 0 0 448.588 5.016 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c(C)c1 ZINC000028289558 569243274 /nfs/dbraw/zinc/24/32/74/569243274.db2.gz AKRBUXZWUOXYSN-UHFFFAOYSA-N 0 0 432.524 5.421 40 0 IKABRN CCOc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000028579257 569243362 /nfs/dbraw/zinc/24/33/62/569243362.db2.gz WFDJPFKUQKLCFK-UHFFFAOYSA-N 0 0 436.360 5.788 40 0 IKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2ccccc2c1 ZINC000032686511 569243547 /nfs/dbraw/zinc/24/35/47/569243547.db2.gz DURWFJRXRMENDH-UHFFFAOYSA-N 0 0 436.540 5.818 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2-c2ccccc2)c1 ZINC000032686263 569243550 /nfs/dbraw/zinc/24/35/50/569243550.db2.gz VJHQZIRVXGFHNB-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000032686039 569243565 /nfs/dbraw/zinc/24/35/65/569243565.db2.gz XPMFPFLKTUCOMG-UHFFFAOYSA-N 0 0 428.561 5.536 40 0 IKABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Sc4ccccc4)o3)C2=O)o1 ZINC000033388464 569243688 /nfs/dbraw/zinc/24/36/88/569243688.db2.gz QSTGHJFVQPOQAG-GZTJUZNOSA-N 0 0 441.486 5.047 40 0 IKABRN CC1CCN(C(=S)c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)CC1 ZINC000033367266 569243733 /nfs/dbraw/zinc/24/37/33/569243733.db2.gz MUDPILVNWFUDDJ-UHFFFAOYSA-N 0 0 428.812 6.633 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1N1CCCCC1 ZINC000033401227 569243906 /nfs/dbraw/zinc/24/39/06/569243906.db2.gz CFOVBBPQLYNJDJ-WYMLVPIESA-N 0 0 441.358 6.896 40 0 IKABRN Clc1ccccc1N1[C@@H](n2nnc3ccccc32)CCC[C@@H]1n1nnc2ccccc21 ZINC000033413354 569243958 /nfs/dbraw/zinc/24/39/58/569243958.db2.gz MTIZOFGVMJWOLE-GOTSBHOMSA-N 0 0 429.915 5.217 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ccccc5o4)ccc3Cl)o2)cc1C ZINC000033412446 569243987 /nfs/dbraw/zinc/24/39/87/569243987.db2.gz MNGXGFSYUYXGHB-UHFFFAOYSA-N 0 0 442.902 7.277 40 0 IKABRN Clc1ccccc1N1[C@H](n2nnc3ccccc32)CCC[C@@H]1n1nnc2ccccc21 ZINC000033413355 569244001 /nfs/dbraw/zinc/24/40/01/569244001.db2.gz MTIZOFGVMJWOLE-ZRZAMGCNSA-N 0 0 429.915 5.217 40 0 IKABRN CCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2)cc1OCc1ccccc1 ZINC000033428907 569244030 /nfs/dbraw/zinc/24/40/30/569244030.db2.gz GHSOXSYEOOZDAJ-UHFFFAOYSA-N 0 0 440.337 5.988 40 0 IKABRN COc1c(Br)cc(C(=O)Nc2ccccc2C)cc1OCc1ccccc1 ZINC000033444725 569244145 /nfs/dbraw/zinc/24/41/45/569244145.db2.gz ZFKAXTZFDJAJFT-UHFFFAOYSA-N 0 0 426.310 5.597 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)C2CCCCC2)cc1 ZINC000033526124 569244326 /nfs/dbraw/zinc/24/43/26/569244326.db2.gz RXXRXPKCHNSJPT-UHFFFAOYSA-N 0 0 442.625 5.389 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 ZINC000033552602 569244473 /nfs/dbraw/zinc/24/44/73/569244473.db2.gz JFKHPAAFEYNELX-UHFFFAOYSA-N 0 0 439.427 6.224 40 0 IKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2cc(C)cc(C)c2)cc1 ZINC000033588031 569244674 /nfs/dbraw/zinc/24/46/74/569244674.db2.gz TUQMFSGQUWTUMM-UHFFFAOYSA-N 0 0 444.394 5.770 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000033581037 569244733 /nfs/dbraw/zinc/24/47/33/569244733.db2.gz NCULKBITEPIIBY-OXJNMPFZSA-N 0 0 432.948 5.086 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccccc1 ZINC000033600902 569244834 /nfs/dbraw/zinc/24/48/34/569244834.db2.gz DLMYNPCJDLAIIU-UHFFFAOYSA-N 0 0 436.722 6.487 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F ZINC000033606906 569244856 /nfs/dbraw/zinc/24/48/56/569244856.db2.gz YXAGOPPDCYHQLN-UHFFFAOYSA-N 0 0 425.316 5.142 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Cl)c(C)c1 ZINC000033616645 569244998 /nfs/dbraw/zinc/24/49/98/569244998.db2.gz NIEDKNSPHDYUDA-UHFFFAOYSA-N 0 0 443.374 6.548 40 0 IKABRN COc1cc(C(=S)N2CCCCC2)cc(Br)c1OCc1ccc(F)cc1 ZINC000033626915 569245141 /nfs/dbraw/zinc/24/51/41/569245141.db2.gz NCRAZVAPZWEYAD-UHFFFAOYSA-N 0 0 438.362 5.337 40 0 IKABRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 ZINC000033649006 569245378 /nfs/dbraw/zinc/24/53/78/569245378.db2.gz VVZPGVCWEBNGFL-UHFFFAOYSA-N 0 0 445.346 6.022 40 0 IKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000033654293 569245388 /nfs/dbraw/zinc/24/53/88/569245388.db2.gz DRZVACWLCDQNBG-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN COc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000033651281 569245398 /nfs/dbraw/zinc/24/53/98/569245398.db2.gz PYMJMIWKQFDNCO-UHFFFAOYSA-N 0 0 431.919 6.642 40 0 IKABRN COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(Br)c1OC ZINC000033649276 569245401 /nfs/dbraw/zinc/24/54/01/569245401.db2.gz LLMLRQVQKQCBRJ-UHFFFAOYSA-N 0 0 428.282 5.511 40 0 IKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cccc2c(Cl)cccc12 ZINC000033662163 569245575 /nfs/dbraw/zinc/24/55/75/569245575.db2.gz XFBWDRJAZVIDOO-UHFFFAOYSA-N 0 0 444.387 5.874 40 0 IKABRN CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000033664220 569245616 /nfs/dbraw/zinc/24/56/16/569245616.db2.gz FFOPWSKURPPUDH-UHFFFAOYSA-N 0 0 436.533 5.257 40 0 IKABRN CCCOc1c(Br)cc(C(=O)NCc2cccc3ccccc32)cc1OC ZINC000033662655 569245638 /nfs/dbraw/zinc/24/56/38/569245638.db2.gz UMTQQIMWJAJUTM-UHFFFAOYSA-N 0 0 428.326 5.330 40 0 IKABRN O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Cl)Nc1ccccc1Cl ZINC000033680617 569245739 /nfs/dbraw/zinc/24/57/39/569245739.db2.gz ZMPTYSCHCQXNOD-UHFFFAOYSA-N 0 0 435.738 6.276 40 0 IKABRN O=C(Nc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1)c1cccs1 ZINC000033670971 569245740 /nfs/dbraw/zinc/24/57/40/569245740.db2.gz LKGOPVSBWYSYHZ-UHFFFAOYSA-N 0 0 447.368 6.774 40 0 IKABRN Clc1ccc(-c2nnc(SCCOc3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000033676685 569245752 /nfs/dbraw/zinc/24/57/52/569245752.db2.gz PHQXQQSQHFMTFI-UHFFFAOYSA-N 0 0 442.371 6.412 40 0 IKABRN O=C(NC(=S)Nc1cc(Cl)ccc1O)c1sc2cc(Cl)ccc2c1Cl ZINC000033668028 569245768 /nfs/dbraw/zinc/24/57/68/569245768.db2.gz CJRUUTARORFAKG-UHFFFAOYSA-N 0 0 431.753 5.694 40 0 IKABRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000033713488 569245960 /nfs/dbraw/zinc/24/59/60/569245960.db2.gz GRWMIOKBHSMXQW-UHFFFAOYSA-N 0 0 438.336 5.303 40 0 IKABRN COc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccccc1 ZINC000033720752 569246081 /nfs/dbraw/zinc/24/60/81/569246081.db2.gz VOSHRJLGMYGPNE-UHFFFAOYSA-N 0 0 446.728 5.942 40 0 IKABRN COc1cc(C(=S)N2CCCCC2)c(Br)cc1OCc1ccc(C)cc1 ZINC000033759625 569246597 /nfs/dbraw/zinc/24/65/97/569246597.db2.gz VEDHOSPAMYOHIO-UHFFFAOYSA-N 0 0 434.399 5.507 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1C ZINC000033777035 569246718 /nfs/dbraw/zinc/24/67/18/569246718.db2.gz TZWUBTYWUBGQNK-BALBBAFXSA-N 0 0 436.621 5.773 40 0 IKABRN O=C(Cn1ccc2ccccc21)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000033782426 569246746 /nfs/dbraw/zinc/24/67/46/569246746.db2.gz OMWRPQNHFMHVEQ-UHFFFAOYSA-N 0 0 429.545 5.473 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4cc(O)ccc43)o2)cc1Cl ZINC000033785626 569246823 /nfs/dbraw/zinc/24/68/23/569246823.db2.gz KKZKAMWFRSFUAF-UHFFFAOYSA-N 0 0 436.920 5.894 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3Br)o2)cc1C ZINC000033787393 569246858 /nfs/dbraw/zinc/24/68/58/569246858.db2.gz QGFSGHBXLMSTLB-UHFFFAOYSA-N 0 0 429.339 5.453 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 ZINC000033795119 569246969 /nfs/dbraw/zinc/24/69/69/569246969.db2.gz MNJYDFOTXKSQAD-UHFFFAOYSA-N 0 0 432.907 5.504 40 0 IKABRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000033792464 569247006 /nfs/dbraw/zinc/24/70/06/569247006.db2.gz MMUUOWAYHPOGDQ-UHFFFAOYSA-N 0 0 444.701 6.673 40 0 IKABRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000033856921 569247064 /nfs/dbraw/zinc/24/70/64/569247064.db2.gz KJGHTYJEJFFOOH-UHFFFAOYSA-N 0 0 439.581 5.292 40 0 IKABRN COc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1Cl ZINC000033862780 569247067 /nfs/dbraw/zinc/24/70/67/569247067.db2.gz ACZHZWYJZICHNM-UHFFFAOYSA-N 0 0 445.780 5.997 40 0 IKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)c1 ZINC000033863386 569247079 /nfs/dbraw/zinc/24/70/79/569247079.db2.gz LWNIIOPXGUGHNK-UHFFFAOYSA-N 0 0 446.016 5.492 40 0 IKABRN O=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCCCC1 ZINC000033853821 569247107 /nfs/dbraw/zinc/24/71/07/569247107.db2.gz NBUCHLHJHJHRSK-UHFFFAOYSA-N 0 0 434.590 6.495 40 0 IKABRN O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)Nc1cccc2ccccc21 ZINC000034721266 569247516 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CCn1c(SCc2ccc(C)cc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000108924202 569253152 /nfs/dbraw/zinc/25/31/52/569253152.db2.gz QHYUWQKPRCHSCI-UHFFFAOYSA-N 0 0 428.355 6.074 40 0 IKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000108920171 569253172 /nfs/dbraw/zinc/25/31/72/569253172.db2.gz XXPYVZNNBFTTFW-UHFFFAOYSA-N 0 0 445.346 6.022 40 0 IKABRN CCOc1c(Cl)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1 ZINC000108923667 569253236 /nfs/dbraw/zinc/25/32/36/569253236.db2.gz VIIUQMKLZQHZST-UHFFFAOYSA-N 0 0 449.856 6.589 40 0 IKABRN CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCc1ccccc1Cl ZINC000108981415 569253290 /nfs/dbraw/zinc/25/32/90/569253290.db2.gz PONCFFRMZKJHGB-VAWYXSNFSA-N 0 0 447.391 5.227 40 0 IKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000108993592 569253395 /nfs/dbraw/zinc/25/33/95/569253395.db2.gz SYBGUGJMUWOFJC-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN CCOc1cc(C(=S)N2CCCCC2)c(Br)cc1OCc1ccccc1 ZINC000109027265 569253448 /nfs/dbraw/zinc/25/34/48/569253448.db2.gz ICKDTGVTDNQGDD-UHFFFAOYSA-N 0 0 434.399 5.588 40 0 IKABRN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000110213276 569253596 /nfs/dbraw/zinc/25/35/96/569253596.db2.gz VHUAOGPJELPZKF-ZDUSSCGKSA-N 0 0 435.380 5.214 40 0 IKABRN CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000111673528 569253686 /nfs/dbraw/zinc/25/36/86/569253686.db2.gz SFVYGZJNEFMZPX-IUXPMGMMSA-N 0 0 446.757 5.188 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccc(Cl)cc2)c1 ZINC000138155887 569253767 /nfs/dbraw/zinc/25/37/67/569253767.db2.gz DMEZXYAZIICMPW-UHFFFAOYSA-N 0 0 434.952 5.627 40 0 IKABRN CCc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000137664588 569253847 /nfs/dbraw/zinc/25/38/47/569253847.db2.gz WYHRIUYDQHIFGC-UHFFFAOYSA-N 0 0 436.577 5.008 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2ccc(Cl)cc2)cc1 ZINC000138108408 569253850 /nfs/dbraw/zinc/25/38/50/569253850.db2.gz ASCUOVHEFPITJZ-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN 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ZINC000257238088 569276767 /nfs/dbraw/zinc/27/67/67/569276767.db2.gz HJNGOIDOZMKLAT-NRFANRHFSA-N 0 0 446.566 5.294 40 0 IKABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)Cc3cccs3)CC2)on1 ZINC000257239790 569276800 /nfs/dbraw/zinc/27/68/00/569276800.db2.gz HQUFOUHXOLIBER-ATZDWAIDSA-N 0 0 438.597 5.079 40 0 IKABRN O=C(N1CCC[C@@H](Cc2ccc3ncccc3c2)CC1)C1(c2ccccc2F)CCOCC1 ZINC000257238089 569276807 /nfs/dbraw/zinc/27/68/07/569276807.db2.gz HJNGOIDOZMKLAT-OAQYLSRUSA-N 0 0 446.566 5.294 40 0 IKABRN O=C(c1ccccc1-c1ccccc1)N1CCC[C@@]2(CN(c3ccccc3)C(=O)O2)CC1 ZINC000257240111 569276842 /nfs/dbraw/zinc/27/68/42/569276842.db2.gz HSCMCGWUOLWHSE-MHZLTWQESA-N 0 0 426.516 5.375 40 0 IKABRN CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CC[N@H+](Cc4ccccc4C(=O)[O-])C[C@@H]3C[C@@H]21 ZINC000257243117 569276919 /nfs/dbraw/zinc/27/69/19/569276919.db2.gz IFOAVRZNDUTLOA-NGXQKHRBSA-N 0 0 441.955 5.178 40 0 IKABRN O=C(N1CCC2(C[C@H](Oc3ccccc3F)CO2)CC1)C1(c2ccccc2F)CCCC1 ZINC000257245045 569276940 /nfs/dbraw/zinc/27/69/40/569276940.db2.gz INWXEAYYOWXLEN-IBGZPJMESA-N 0 0 441.518 5.006 40 0 IKABRN Cc1cccc(Cc2ccc([C@H]3CCCN(C(=O)CCOc4cccc(F)c4)C3)nc2)c1 ZINC000257245909 569277013 /nfs/dbraw/zinc/27/70/13/569277013.db2.gz IRPQNOZASMUSJO-QHCPKHFHSA-N 0 0 432.539 5.295 40 0 IKABRN Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H]2c4cc(Cl)ccc4OC(C)(C)[C@H]2C3)n1 ZINC000257248887 569277038 /nfs/dbraw/zinc/27/70/38/569277038.db2.gz JFRGZDVITKHBJR-SIKLNZKXSA-N 0 0 440.971 5.215 40 0 IKABRN Cc1c(Cl)cccc1NCC(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257246486 569277047 /nfs/dbraw/zinc/27/70/47/569277047.db2.gz IUHMZOYHCJSBRG-UHFFFAOYSA-N 0 0 435.959 5.000 40 0 IKABRN COc1cccc(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1OC ZINC000257247598 569277049 /nfs/dbraw/zinc/27/70/49/569277049.db2.gz IZPTURZZOAXBCO-LJQANCHMSA-N 0 0 434.511 5.233 40 0 IKABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2cncc3ccccc32)CC1 ZINC000257247900 569277058 /nfs/dbraw/zinc/27/70/58/569277058.db2.gz JBBSISCSGZQLCN-HXUWFJFHSA-N 0 0 438.531 5.302 40 0 IKABRN O=C([O-])c1ccc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)nc1CCCc1ccccc1 ZINC000257249554 569277136 /nfs/dbraw/zinc/27/71/36/569277136.db2.gz JIWRIGGUSJMXDK-RUZDIDTESA-N 0 0 434.967 5.946 40 0 IKABRN Fc1ccc(O[C@@H]2COC3(C2)CC[NH+](Cc2ccccc2OCc2cccnc2)CC3)cc1 ZINC000257252663 569277139 /nfs/dbraw/zinc/27/71/39/569277139.db2.gz JVQGKXNOMYKKGM-VWLOTQADSA-N 0 0 448.538 5.002 40 0 IKABRN COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4ncc(Cc5ccccc5Cl)o4)C3)c2c1 ZINC000257250095 569277157 /nfs/dbraw/zinc/27/71/57/569277157.db2.gz JLAFCIFWCPIGJX-QGZVFWFLSA-N 0 0 449.938 5.429 40 0 IKABRN O=C(c1ccc2ncccc2c1)N1CCCC[C@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000257249441 569277159 /nfs/dbraw/zinc/27/71/59/569277159.db2.gz JIJDXUZLRHGCGI-QFIPXVFZSA-N 0 0 435.487 5.200 40 0 IKABRN COc1cc2c(cc1C[NH+]1CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC1)CCC2 ZINC000257252660 569277163 /nfs/dbraw/zinc/27/71/63/569277163.db2.gz JVPVABOOFGZEIX-UHFFFAOYSA-N 0 0 447.022 6.203 40 0 IKABRN O=C(N1CCC[C@H](Cc2cccc3ccncc32)CC1)C1(c2cccc(F)c2)CCOCC1 ZINC000257254191 569277165 /nfs/dbraw/zinc/27/71/65/569277165.db2.gz KCDFXLDJUSGDAY-NRFANRHFSA-N 0 0 446.566 5.294 40 0 IKABRN O=C([O-])c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)nc1CCCc1ccccc1 ZINC000257249555 569277166 /nfs/dbraw/zinc/27/71/66/569277166.db2.gz JIWRIGGUSJMXDK-VWLOTQADSA-N 0 0 434.967 5.946 40 0 IKABRN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 ZINC000257250269 569277190 /nfs/dbraw/zinc/27/71/90/569277190.db2.gz JLVGBOWJNCLSQS-NRFANRHFSA-N 0 0 443.978 5.756 40 0 IKABRN Fc1ccc(O[C@H]2COC3(C2)CC[NH+](Cc2ccccc2OCc2cccnc2)CC3)cc1 ZINC000257252662 569277201 /nfs/dbraw/zinc/27/72/01/569277201.db2.gz JVQGKXNOMYKKGM-RUZDIDTESA-N 0 0 448.538 5.002 40 0 IKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccccc1Cl)C[C@]2(C)NC(=O)c1ccc(Cl)cc1 ZINC000257251615 569277204 /nfs/dbraw/zinc/27/72/04/569277204.db2.gz JRLSQCRYOSJQSV-GMQKADSYSA-N 0 0 432.391 6.448 40 0 IKABRN O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)CC(=O)NC[C@H]2c1ccc(F)cc1 ZINC000257258038 569277267 /nfs/dbraw/zinc/27/72/67/569277267.db2.gz KSDQJAFAVMYELW-VWLOTQADSA-N 0 0 442.534 5.019 40 0 IKABRN O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257259214 569277269 /nfs/dbraw/zinc/27/72/69/569277269.db2.gz KXIYUPYJRNAVAB-LJQANCHMSA-N 0 0 444.959 5.033 40 0 IKABRN CCCCc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)[nH]n1 ZINC000257256852 569277274 /nfs/dbraw/zinc/27/72/74/569277274.db2.gz KNDVUUSVGPZJHI-KRWDZBQOSA-N 0 0 426.948 5.004 40 0 IKABRN COc1ccccc1Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)n3ccsc23)cn1 ZINC000257259203 569277282 /nfs/dbraw/zinc/27/72/82/569277282.db2.gz KXIBULNDYXGXEB-NRFANRHFSA-N 0 0 446.576 5.066 40 0 IKABRN Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3ccc(Cc4ccc(Cl)cc4)cn3)cc2s1 ZINC000257258715 569277294 /nfs/dbraw/zinc/27/72/94/569277294.db2.gz KVFAMKDNRRVXQN-HSZRJFAPSA-N 0 0 447.991 6.221 40 0 IKABRN CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 ZINC000257257767 569277298 /nfs/dbraw/zinc/27/72/98/569277298.db2.gz 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ZINC000257285958 569278126 /nfs/dbraw/zinc/27/81/26/569278126.db2.gz PJOFFVSFUMUGBA-HSZRJFAPSA-N 0 0 442.519 5.105 40 0 IKABRN Cc1ccc(Cc2ccc([C@H]3CCCN3C(=O)c3ccc4c(c3)CCCN4C)nc2)cc1 ZINC000257294146 569278195 /nfs/dbraw/zinc/27/81/95/569278195.db2.gz QSTMYFYPCXRPKH-HHHXNRCGSA-N 0 0 425.576 5.341 40 0 IKABRN O=C([O-])c1ccc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)nc1CCc1ccc(F)cc1 ZINC000257294046 569278204 /nfs/dbraw/zinc/27/82/04/569278204.db2.gz QSFKJTMKQIFPIK-XMMPIXPASA-N 0 0 438.930 5.695 40 0 IKABRN CC(C)CC(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(=O)NC(C)C)CC1 ZINC000257292111 569278214 /nfs/dbraw/zinc/27/82/14/569278214.db2.gz QKBOCGXYGDPKFU-UHFFFAOYSA-N 0 0 426.626 5.137 40 0 IKABRN CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC2CCCC2)CC1 ZINC000257292150 569278233 /nfs/dbraw/zinc/27/82/33/569278233.db2.gz QKFAEHGPIZOOSO-UHFFFAOYSA-N 0 0 438.637 5.283 40 0 IKABRN C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(OCc3ccccc3)c(CN3CCOCC3)cc1OC2(C)C ZINC000257297874 569278327 /nfs/dbraw/zinc/27/83/27/569278327.db2.gz 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569278883 /nfs/dbraw/zinc/27/88/83/569278883.db2.gz UNGINEXTDUISEL-SANMLTNESA-N 0 0 439.603 5.383 40 0 IKABRN CC(C)CC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1 ZINC000257311657 569278892 /nfs/dbraw/zinc/27/88/92/569278892.db2.gz UKNDGAVVYJLMAO-UHFFFAOYSA-N 0 0 438.637 5.235 40 0 IKABRN CC(=O)Nc1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)cc1 ZINC000257312297 569278898 /nfs/dbraw/zinc/27/88/98/569278898.db2.gz UNGJWANFARZDEX-ZDXQCDESSA-N 0 0 428.960 5.422 40 0 IKABRN Cc1ccc(C2(C(=O)N3CCC[C@@H](Cc4cccc5cnccc54)CC3)CCOCC2)cc1 ZINC000257313551 569278959 /nfs/dbraw/zinc/27/89/59/569278959.db2.gz UTCPGKOMQCIAHG-HSZRJFAPSA-N 0 0 442.603 5.463 40 0 IKABRN CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000257316124 569278979 /nfs/dbraw/zinc/27/89/79/569278979.db2.gz VEFQXRJPEHGJOG-KNQAVFIVSA-N 0 0 448.438 6.037 40 0 IKABRN Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)n2)c1 ZINC000257313058 569279011 /nfs/dbraw/zinc/27/90/11/569279011.db2.gz 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BKLYRSLOEVEPAG-YCNYHXFESA-N 0 0 428.539 6.062 40 0 IKABRN CCCc1oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2c1C(=O)OCC ZINC000008974097 569492904 /nfs/dbraw/zinc/49/29/04/569492904.db2.gz CEYJTADGROESNV-UHFFFAOYSA-N 0 0 429.538 5.288 40 0 IKABRN COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)N1CCOCC1 ZINC000015441149 569515757 /nfs/dbraw/zinc/51/57/57/569515757.db2.gz UEOLLPLCBQJTLR-HSZRJFAPSA-N 0 0 436.577 5.047 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(Cl)c2)N2CCOCC2)c1C ZINC000015441193 569515771 /nfs/dbraw/zinc/51/57/71/569515771.db2.gz BIIRPDXSLBRLMA-QFIPXVFZSA-N 0 0 440.996 5.692 40 0 IKABRN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)NCc1ccccc1Cl ZINC000041076877 569526544 /nfs/dbraw/zinc/52/65/44/569526544.db2.gz CSWUEFQOLTXUHV-UHFFFAOYSA-N 0 0 439.943 5.286 40 0 IKABRN CC(C)(C)Nc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328971676 569582921 /nfs/dbraw/zinc/58/29/21/569582921.db2.gz DSDWSWJEQALVNS-UHFFFAOYSA-N 0 0 434.437 6.004 40 0 IKABRN Fc1ccc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)cc1Br ZINC000328983606 569582979 /nfs/dbraw/zinc/58/29/79/569582979.db2.gz HHIPBMXAJQOELV-UHFFFAOYSA-N 0 0 446.629 6.461 40 0 IKABRN CC(C)(C)Nc1nc(Nc2cccc(F)c2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329038653 569583021 /nfs/dbraw/zinc/58/30/21/569583021.db2.gz RTXUDJMGAXMWTE-UHFFFAOYSA-N 0 0 438.400 6.274 40 0 IKABRN CC(C)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966214 569583146 /nfs/dbraw/zinc/58/31/46/569583146.db2.gz CITRBHYDTFCZDB-UHFFFAOYSA-N 0 0 444.501 6.904 40 0 IKABRN COc1ccc(/C=C\c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1 ZINC000031490284 569583160 /nfs/dbraw/zinc/58/31/60/569583160.db2.gz MCNPOZMLKGDJGP-DAXSKMNVSA-N 0 0 447.964 5.704 40 0 IKABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)nc(NC(C)(C)C)n1 ZINC000329037538 569583183 /nfs/dbraw/zinc/58/31/83/569583183.db2.gz ROMGWAPFRWBRQI-UHFFFAOYSA-N 0 0 425.374 6.477 40 0 IKABRN Cc1cc(Br)ccc1Nc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000328987078 569583240 /nfs/dbraw/zinc/58/32/40/569583240.db2.gz IAPZWJSGCSOEFJ-UHFFFAOYSA-N 0 0 438.373 6.098 40 0 IKABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000027830246 569583494 /nfs/dbraw/zinc/58/34/94/569583494.db2.gz FOEONDDWLSLZFZ-UHFFFAOYSA-N 0 0 437.977 5.672 40 0 IKABRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc2ccccc2c1 ZINC000032126794 569583586 /nfs/dbraw/zinc/58/35/86/569583586.db2.gz VGGHLNQVZCUGPJ-UHFFFAOYSA-N 0 0 432.357 5.883 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)COc3cc(C)cc(C)c3)sc2c1 ZINC000032118735 569583661 /nfs/dbraw/zinc/58/36/61/569583661.db2.gz OPCIVGGJKVPMIU-UHFFFAOYSA-N 0 0 427.595 5.148 40 0 IKABRN Cc1cc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)ccc1Br ZINC000329066605 569583957 /nfs/dbraw/zinc/58/39/57/569583957.db2.gz YCDODOODOCHAES-UHFFFAOYSA-N 0 0 438.373 6.098 40 0 IKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)ccc1Cl ZINC000329004383 569583971 /nfs/dbraw/zinc/58/39/71/569583971.db2.gz KRZJXOLTXUGPOH-UHFFFAOYSA-N 0 0 436.865 6.568 40 0 IKABRN CCNc1nc(Nc2ccc(C(C)C)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329046503 569583992 /nfs/dbraw/zinc/58/39/92/569583992.db2.gz UBGRZPJXTJOFDH-UHFFFAOYSA-N 0 0 430.474 6.649 40 0 IKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCO)n2)ccc1C(C)C ZINC000328980453 569584004 /nfs/dbraw/zinc/58/40/04/569584004.db2.gz GNQZCTMZBUYSTP-UHFFFAOYSA-N 0 0 446.473 5.622 40 0 IKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000329043676 569584064 /nfs/dbraw/zinc/58/40/64/569584064.db2.gz STPCDYGHGDKZLK-UHFFFAOYSA-N 0 0 443.473 6.234 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2c(cc(C)cc2C)s1 ZINC000019631371 569584144 /nfs/dbraw/zinc/58/41/44/569584144.db2.gz HTUKPYRJPDOFMP-UHFFFAOYSA-N 0 0 440.377 5.355 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2c(s1)c(C)ccc2C ZINC000019631355 569584167 /nfs/dbraw/zinc/58/41/67/569584167.db2.gz LKHGLXZIIIKREA-UHFFFAOYSA-N 0 0 440.377 5.355 40 0 IKABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3c(cc(C)cc3C)s2)cc1Cl ZINC000019631367 569584184 /nfs/dbraw/zinc/58/41/84/569584184.db2.gz NHDKBCGXIDUMOR-UHFFFAOYSA-N 0 0 440.377 5.355 40 0 IKABRN 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ZINC000020611240 523868992 /nfs/dbraw/zinc/86/89/92/523868992.db2.gz QVKCBIXMBCDDJK-GOSISDBHSA-N 0 0 428.536 5.721 40 0 IKABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000020610195 523869111 /nfs/dbraw/zinc/86/91/11/523869111.db2.gz LKKLZUPCSKQDQU-UHFFFAOYSA-N 0 0 428.536 5.298 40 0 IKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(OC)c2)cc1 ZINC000020970126 523969164 /nfs/dbraw/zinc/96/91/64/523969164.db2.gz IRXZUKGGKYUNLF-VWLOTQADSA-N 0 0 438.531 5.535 40 0 IKABRN CCc1ccc(NC(=O)NC[C@@H]2CCC[C@H](CNC(=O)Nc3ccc(CC)cc3)C2)cc1 ZINC000016161778 523985078 /nfs/dbraw/zinc/98/50/78/523985078.db2.gz LXDWSADKYAPPFI-SZPZYZBQSA-N 0 0 436.600 5.561 40 0 IKABRN COc1ccc(CCn2c(=O)c3ccccc3nc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000020799216 523985387 /nfs/dbraw/zinc/98/53/87/523985387.db2.gz LYVIVXPXVMXLAR-UHFFFAOYSA-N 0 0 432.523 5.982 40 0 IKABRN COc1ccc(CN(Cc2cc3cc(C)ccc3nc2Cl)C(=O)Nc2ccccc2)cc1 ZINC000035311751 524013466 /nfs/dbraw/zinc/01/34/66/524013466.db2.gz 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/nfs/dbraw/zinc/63/75/54/525637554.db2.gz NAWGFDDTYFMAKS-UHFFFAOYSA-N 0 0 448.906 5.669 40 0 IKABRN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)nnc2c(-c3ccccc3)c(C(C)C)nn21 ZINC000020797899 525661235 /nfs/dbraw/zinc/66/12/35/525661235.db2.gz NQRWNDJAOIKSIV-UHFFFAOYSA-N 0 0 439.441 5.494 40 0 IKABRN Cc1ccc(S[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000022530930 525668809 /nfs/dbraw/zinc/66/88/09/525668809.db2.gz PNIKKDGBLDCWGV-LJQANCHMSA-N 0 0 446.616 6.664 40 0 IKABRN Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)[C@@H](C)c4ccccc4)CC3)c12 ZINC000012133580 525680192 /nfs/dbraw/zinc/68/01/92/525680192.db2.gz DZABOZBDSFPOJQ-IBGZPJMESA-N 0 0 446.595 5.337 40 0 IKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000020610946 525687609 /nfs/dbraw/zinc/68/76/09/525687609.db2.gz RFYHDGDWLCXIRC-WYMLVPIESA-N 0 0 438.462 5.780 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000020611012 525687779 /nfs/dbraw/zinc/68/77/79/525687779.db2.gz LOHGJRPYDKWPBO-UHFFFAOYSA-N 0 0 434.927 5.523 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)nc2cc1Cl ZINC000016284293 525701486 /nfs/dbraw/zinc/70/14/86/525701486.db2.gz RZDRYTSOJKCDFZ-UHFFFAOYSA-N 0 0 433.986 5.420 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000022529183 525717294 /nfs/dbraw/zinc/71/72/94/525717294.db2.gz LBHFKJGABQGOPS-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 ZINC000020451685 525717473 /nfs/dbraw/zinc/71/74/73/525717473.db2.gz JHYDFXSHWLCPLT-NFQMXDRXSA-N 0 0 444.600 5.569 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c3)o2)cc1Cl ZINC000020610405 525747612 /nfs/dbraw/zinc/74/76/12/525747612.db2.gz SNOCSGZYKHGWRD-UHFFFAOYSA-N 0 0 446.869 6.034 40 0 IKABRN Cc1c(Cl)cccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(Cl)c1 ZINC000022079394 525758510 /nfs/dbraw/zinc/75/85/10/525758510.db2.gz JPASFOKTNHFWIC-UHFFFAOYSA-N 0 0 444.366 5.858 40 0 IKABRN Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccccc3Cl)n2)cc1 ZINC000012469023 525780554 /nfs/dbraw/zinc/78/05/54/525780554.db2.gz WRSBDDICXYZOBO-UHFFFAOYSA-N 0 0 432.976 6.661 40 0 IKABRN COc1cccc(C(=O)CSc2nc(-c3ccccc3)nc3sc4c(c32)CCCC4)c1 ZINC000012467900 525786284 /nfs/dbraw/zinc/78/62/84/525786284.db2.gz LJWXLFMYGKIXBS-UHFFFAOYSA-N 0 0 446.597 6.221 40 0 IKABRN Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)cc1 ZINC000020632472 525793481 /nfs/dbraw/zinc/79/34/81/525793481.db2.gz DHFKZZQMIGQKLL-KRWDZBQOSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 ZINC000012847127 525843905 /nfs/dbraw/zinc/84/39/05/525843905.db2.gz IIAIGXQNFMCHGE-OALUTQOASA-N 0 0 448.876 6.066 40 0 IKABRN Cc1ccc(-c2nnc(CSc3nc(C4CC4)nc4sc5c(c43)CC[C@H](C)C5)o2)cc1 ZINC000012639413 525844948 /nfs/dbraw/zinc/84/49/48/525844948.db2.gz VQGFYLKULVVNEV-AWEZNQCLSA-N 0 0 448.617 6.344 40 0 IKABRN Cc1c(NC(=O)Nc2cccc(Cl)c2)cccc1NC(=O)Nc1cccc(Cl)c1 ZINC000016250090 525850953 /nfs/dbraw/zinc/85/09/53/525850953.db2.gz PAZMUOBMPTVIQB-UHFFFAOYSA-N 0 0 429.307 6.590 40 0 IKABRN Cc1c(NC(=O)c2cccc(OCc3ccccc3)c2)cccc1-c1nc2ccccc2[nH]1 ZINC000016250098 525862465 /nfs/dbraw/zinc/86/24/65/525862465.db2.gz YINGCMJCUPLALK-UHFFFAOYSA-N 0 0 433.511 6.370 40 0 IKABRN Cc1ccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 ZINC000022256955 525876933 /nfs/dbraw/zinc/87/69/33/525876933.db2.gz IAGSAUJTLUKNCJ-UHFFFAOYSA-N 0 0 439.581 5.302 40 0 IKABRN Cc1ccc(-c2noc(CN(CC(C)C)C(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1 ZINC000022255837 525877681 /nfs/dbraw/zinc/87/76/81/525877681.db2.gz NZMODONSDGBIHD-QHCPKHFHSA-N 0 0 446.595 5.255 40 0 IKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000020610436 525924699 /nfs/dbraw/zinc/92/46/99/525924699.db2.gz DCWGBTWGROFQJB-GFCCVEGCSA-N 0 0 445.281 5.272 40 0 IKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000044886433 525930945 /nfs/dbraw/zinc/93/09/45/525930945.db2.gz OORBTSVQPTVZAK-KRWDZBQOSA-N 0 0 435.951 6.275 40 0 IKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3n2)cc1 ZINC000020609928 525932410 /nfs/dbraw/zinc/93/24/10/525932410.db2.gz JRUKICGRHUMZAO-UHFFFAOYSA-N 0 0 434.499 5.560 40 0 IKABRN Cc1ccc(-n2nnnc2-c2cnc(C(C)(C)C)nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000016311570 525936756 /nfs/dbraw/zinc/93/67/56/525936756.db2.gz VFNQARIQHGFKBU-UHFFFAOYSA-N 0 0 438.457 5.411 40 0 IKABRN C[C@H](C(=O)N1CCCC1)[C@H]1CC[C@@]2(C)Cc3sc(-c4ccsc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000015709026 525962991 /nfs/dbraw/zinc/96/29/91/525962991.db2.gz MYNOERHMMIGLCQ-IXMAWCDFSA-N 0 0 444.666 5.183 40 0 biogenic,in-vitro IKABRN Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)cc1 ZINC000020632475 525986447 /nfs/dbraw/zinc/98/64/47/525986447.db2.gz DHFKZZQMIGQKLL-QGZVFWFLSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 ZINC000012847133 526031523 /nfs/dbraw/zinc/03/15/23/526031523.db2.gz IIAIGXQNFMCHGE-MOPGFXCFSA-N 0 0 448.876 6.066 40 0 IKABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)Cc3cccc(F)c3)cc2)on1 ZINC000012159094 526044545 /nfs/dbraw/zinc/04/45/45/526044545.db2.gz HUNYFSBONCGEPW-UHFFFAOYSA-N 0 0 444.510 5.228 40 0 IKABRN Cc1cc(-c2cnc(NCc3c(C)nn(-c4ccccc4)c3C)nc2-c2ccco2)on1 ZINC000012184395 526046643 /nfs/dbraw/zinc/04/66/43/526046643.db2.gz LWZBUUYZHHCBJF-UHFFFAOYSA-N 0 0 426.480 5.115 40 0 IKABRN Cc1ccc(C(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C(C)C)cs2)cc1C ZINC000012237213 526068867 /nfs/dbraw/zinc/06/88/67/526068867.db2.gz LEMKBRGKTPZFNJ-UHFFFAOYSA-N 0 0 447.604 5.639 40 0 IKABRN CSc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020969923 526075083 /nfs/dbraw/zinc/07/50/83/526075083.db2.gz IFCUJIHVHKWZGS-QHCPKHFHSA-N 0 0 444.535 5.825 40 0 IKABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)nc2c1 ZINC000012879513 526104857 /nfs/dbraw/zinc/10/48/57/526104857.db2.gz REQGIVUAXJJKCW-CYBMUJFWSA-N 0 0 436.865 5.955 40 0 IKABRN COc1cccc(NC(=O)N2CCC(NC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000012644658 526185920 /nfs/dbraw/zinc/18/59/20/526185920.db2.gz PXKHXGZEAURCIV-UHFFFAOYSA-N 0 0 444.535 5.180 40 0 IKABRN Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000020453007 526197450 /nfs/dbraw/zinc/19/74/50/526197450.db2.gz AKNPNBSJNJFZCG-DEOSSOPVSA-N 0 0 436.577 5.313 40 0 IKABRN Cc1ccc2[nH]c(-c3ccc(-c4ccc(Br)cc4Br)o3)nc2c1 ZINC000085345553 526240820 /nfs/dbraw/zinc/24/08/20/526240820.db2.gz MCHZCVSYEDXNKN-UHFFFAOYSA-N 0 0 432.115 6.323 40 0 IKABRN Fc1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 ZINC000020509871 526343841 /nfs/dbraw/zinc/34/38/41/526343841.db2.gz FSCJQHMKEUZDGN-OAQYLSRUSA-N 0 0 443.341 5.864 40 0 IKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000224393555 526351901 /nfs/dbraw/zinc/35/19/01/526351901.db2.gz FVHFPSBVIBKTJF-DHIUTWEWSA-N 0 0 448.954 5.842 40 0 IKABRN c1cn(-c2ccc(N(c3ccc(-n4ccnc4)cc3)c3ccc(-n4ccnc4)cc3)cc2)cn1 ZINC000202081281 526523820 /nfs/dbraw/zinc/52/38/20/526523820.db2.gz XXDCQSZBEIDWSY-UHFFFAOYSA-N 0 0 443.514 5.714 40 0 IKABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2cccc(Cl)c2)C1)Nc1cccc(Cl)c1 ZINC000016398971 526533254 /nfs/dbraw/zinc/53/32/54/526533254.db2.gz SDPJZNCQPMLYAT-IYBDPMFKSA-N 0 0 449.382 5.743 40 0 IKABRN O=C(c1ccc(OCCSc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000020495257 526708616 /nfs/dbraw/zinc/70/86/16/526708616.db2.gz GVKDAMVIKXPGJQ-UHFFFAOYSA-N 0 0 431.601 5.953 40 0 IKABRN O=C(c1cccc(OCc2ccccc2Cl)c1)N(C1CCCCC1)C1CCCCC1 ZINC000022258357 526774072 /nfs/dbraw/zinc/77/40/72/526774072.db2.gz NPCJRYKMHSCUFW-UHFFFAOYSA-N 0 0 426.000 7.027 40 0 IKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@@H]1c1c(Cl)cnn1C ZINC000012133784 526849148 /nfs/dbraw/zinc/84/91/48/526849148.db2.gz QFHPFPDRUFKHKH-QGZVFWFLSA-N 0 0 433.339 5.448 40 0 IKABRN Cc1sc(NC(=O)c2cccc(C)c2)c(C(=O)c2ccc(Br)cc2)c1C ZINC000012484656 526883291 /nfs/dbraw/zinc/88/32/91/526883291.db2.gz UYAMWHCOHOOQRX-UHFFFAOYSA-N 0 0 428.351 5.919 40 0 IKABRN O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000012132183 526917512 /nfs/dbraw/zinc/91/75/12/526917512.db2.gz QUTAJCWOPWLGOK-UHFFFAOYSA-N 0 0 434.492 5.431 40 0 IKABRN Clc1cc2c(cc1CSc1nc(-c3ccccc3)c(-c3ccccc3)s1)OCO2 ZINC000016768199 526931864 /nfs/dbraw/zinc/93/18/64/526931864.db2.gz SIWLXNDCASKHJH-UHFFFAOYSA-N 0 0 437.973 7.152 40 0 IKABRN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012876779 526932495 /nfs/dbraw/zinc/93/24/95/526932495.db2.gz DIDYTSLZWZZQHA-UHFFFAOYSA-N 0 0 447.412 6.838 40 0 IKABRN O=C(c1sc2cc(Cl)ccc2c1Cl)N1c2ccccc2Sc2ccccc21 ZINC000012483392 526932748 /nfs/dbraw/zinc/93/27/48/526932748.db2.gz CFPIWAAJGOVNIW-UHFFFAOYSA-N 0 0 428.365 7.651 40 0 IKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000022245323 526953631 /nfs/dbraw/zinc/95/36/31/526953631.db2.gz FCPLPQPFNMSEAM-UHFFFAOYSA-N 0 0 429.545 6.051 40 0 IKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000022245993 527002495 /nfs/dbraw/zinc/00/24/95/527002495.db2.gz HKRZDPPVQSGRIY-UHFFFAOYSA-N 0 0 444.963 5.258 40 0 IKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000022245863 527003165 /nfs/dbraw/zinc/00/31/65/527003165.db2.gz RLDIOLTWSGNHCJ-UHFFFAOYSA-N 0 0 429.826 6.259 40 0 IKABRN O=C1C[C@@H](c2ccc(F)cc2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 ZINC000020671486 527022719 /nfs/dbraw/zinc/02/27/19/527022719.db2.gz ZZVUZXWXGJFOIC-HNNXBMFYSA-N 0 0 438.915 5.122 40 0 IKABRN O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Cl)cc1Cl ZINC000016525667 527052067 /nfs/dbraw/zinc/05/20/67/527052067.db2.gz XRKXVLJHOOIWJD-UHFFFAOYSA-N 0 0 448.352 6.198 40 0 IKABRN O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000041076882 527063702 /nfs/dbraw/zinc/06/37/02/527063702.db2.gz FILOBAKUVLONIB-UHFFFAOYSA-N 0 0 442.371 6.122 40 0 IKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl ZINC000012249592 527083011 /nfs/dbraw/zinc/08/30/11/527083011.db2.gz LQOUUYXJHKZAKW-UHFFFAOYSA-N 0 0 429.712 5.584 40 0 IKABRN O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccccc1)c1ccc(Br)cc1 ZINC000016477276 527098103 /nfs/dbraw/zinc/09/81/03/527098103.db2.gz SLBUFGQKBFGLNK-OAQYLSRUSA-N 0 0 431.782 7.209 40 0 IKABRN O=C1[C@H]2[C@H]3C=C[C@H](C3=C3C4CC5CC(C4)CC3C5)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000012437164 527119673 /nfs/dbraw/zinc/11/96/73/527119673.db2.gz GNFWESXQFQMADC-MPLVUTOVSA-N 0 0 440.370 5.668 40 0 IKABRN O=C1c2cc3c(cc2[C@@H]2C[C@H](OCc4ccccc4)CC[C@@H]2N1Cc1ccccc1)OCO3 ZINC000247798830 527121582 /nfs/dbraw/zinc/12/15/82/527121582.db2.gz DSTSQAROMMWVIN-VTZPFEBOSA-N 0 0 441.527 5.293 40 0 biogenic,in-vitro IKABRN Cc1nc2cc(F)ccc2n1C1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000035314282 527121619 /nfs/dbraw/zinc/12/16/19/527121619.db2.gz AUAZGAPAFDPFAS-UHFFFAOYSA-N 0 0 428.511 6.020 40 0 IKABRN O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000012483625 527135572 /nfs/dbraw/zinc/13/55/72/527135572.db2.gz IXSVXMJVFCQSAF-UHFFFAOYSA-N 0 0 434.926 7.475 40 0 IKABRN O=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000035657394 527144187 /nfs/dbraw/zinc/14/41/87/527144187.db2.gz ZZGDMXWLNDCENW-UHFFFAOYSA-N 0 0 438.930 5.910 40 0 IKABRN O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020486143 527154235 /nfs/dbraw/zinc/15/42/35/527154235.db2.gz GPSKZHNXMHMBEY-UHFFFAOYSA-N 0 0 441.756 5.918 40 0 IKABRN O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000022072312 527156804 /nfs/dbraw/zinc/15/68/04/527156804.db2.gz CRSVWQBZTBKVDI-UHFFFAOYSA-N 0 0 436.231 5.859 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000022053527 527163986 /nfs/dbraw/zinc/16/39/86/527163986.db2.gz TVWGRGYQBKFWNC-UHFFFAOYSA-N 0 0 425.332 6.115 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1nnc2n1CCCCC2)c1ccc(F)cc1 ZINC000022079428 527174055 /nfs/dbraw/zinc/17/40/55/527174055.db2.gz IKEWYGXLFKFDCR-UHFFFAOYSA-N 0 0 448.329 5.689 40 0 IKABRN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000022509490 527193143 /nfs/dbraw/zinc/19/31/43/527193143.db2.gz VCMZCPLLXNAMMQ-UHFFFAOYSA-N 0 0 439.295 5.186 40 0 IKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000022072748 527193701 /nfs/dbraw/zinc/19/37/01/527193701.db2.gz YFGDTGVJOSMHAT-UHFFFAOYSA-N 0 0 425.769 5.769 40 0 IKABRN Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H](C)Cc3cccs3)cc2)n1 ZINC000012257176 527218999 /nfs/dbraw/zinc/21/89/99/527218999.db2.gz PNROYQHIXHWQMS-QGZVFWFLSA-N 0 0 428.561 5.071 40 0 IKABRN Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@@H](C)Cc3cccs3)cc2)n1 ZINC000012257168 527219350 /nfs/dbraw/zinc/21/93/50/527219350.db2.gz PNROYQHIXHWQMS-KRWDZBQOSA-N 0 0 428.561 5.071 40 0 IKABRN O=C(Cc1ccc(F)cc1)NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc43)o2)CC1 ZINC000100219436 527231643 /nfs/dbraw/zinc/23/16/43/527231643.db2.gz ALBVZWYUADRVAJ-PUZFROQSSA-N 0 0 444.510 5.057 40 0 IKABRN Cc1ncc(NC(=O)c2ccc(Cl)cc2Cl)n1-c1nc(-c2cccs2)cs1 ZINC000035682748 527300560 /nfs/dbraw/zinc/30/05/60/527300560.db2.gz FKHLIVDOEVLQQJ-UHFFFAOYSA-N 0 0 435.361 5.925 40 0 IKABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000020458975 527373854 /nfs/dbraw/zinc/37/38/54/527373854.db2.gz CPXNBULMQSOOMB-UHFFFAOYSA-N 0 0 431.923 5.343 40 0 IKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020488570 527433674 /nfs/dbraw/zinc/43/36/74/527433674.db2.gz SMXRBVYQISJAGN-UHFFFAOYSA-N 0 0 434.539 6.684 40 0 IKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000022523346 527434131 /nfs/dbraw/zinc/43/41/31/527434131.db2.gz IWYQCFVYQIFOOO-UHFFFAOYSA-N 0 0 441.552 6.902 40 0 IKABRN O=C(N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000035315868 527437329 /nfs/dbraw/zinc/43/73/29/527437329.db2.gz AUMDLRFUDOZHAF-UHFFFAOYSA-N 0 0 431.502 5.435 40 0 IKABRN Nc1c2cc3cc4c(cc3nc2sc1C(=O)Nc1ccccc1C(F)(F)F)OCO4 ZINC000035288934 527438063 /nfs/dbraw/zinc/43/80/63/527438063.db2.gz TWCSSUOZNKQIIX-UHFFFAOYSA-N 0 0 431.395 5.032 40 0 IKABRN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2SCc1ccc(Cl)cc1Cl ZINC000041105024 527441597 /nfs/dbraw/zinc/44/15/97/527441597.db2.gz NPDHQWCXXWAISB-QGZVFWFLSA-N 0 0 425.381 5.269 40 0 IKABRN O=c1[nH]c2ccc(Cl)cc2cc1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000020530234 527442859 /nfs/dbraw/zinc/44/28/59/527442859.db2.gz FUYVMPXWYOFAAQ-UHFFFAOYSA-N 0 0 430.916 6.655 40 0 IKABRN O=c1c(-c2ccccc2)c(-c2ccccc2)o/c(=N\C2CCCCC2)n1C1CCCCC1 ZINC000013802046 527449457 /nfs/dbraw/zinc/44/94/57/527449457.db2.gz PNKSGAGUBYDKSH-ZIADKAODSA-N 0 0 428.576 6.514 40 0 IKABRN O=c1c2ccccc2n2c(=S)sc(-c3cccc(Cl)c3)c2n1Cc1ccccc1 ZINC000020617830 527464371 /nfs/dbraw/zinc/46/43/71/527464371.db2.gz FQKQLVTVKFFGPP-UHFFFAOYSA-N 0 0 434.973 6.414 40 0 IKABRN O=C(NC1CCCCCCCCCCC1)c1cc(-n2cnnc2)ccc1Br ZINC000035684176 527521916 /nfs/dbraw/zinc/52/19/16/527521916.db2.gz STQYILUNCIGXMK-UHFFFAOYSA-N 0 0 433.394 5.433 40 0 IKABRN Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2)C1 ZINC000015673938 527522102 /nfs/dbraw/zinc/52/21/02/527522102.db2.gz BPLQIJSMIBHDDW-YLJYHZDGSA-N 0 0 440.469 5.742 40 0 biogenic,in-vitro IKABRN Cn1nc(-c2nc(-c3ccc(F)cc3)cs2)cc1NC(=O)CSCc1ccccc1 ZINC000035683190 527539549 /nfs/dbraw/zinc/53/95/49/527539549.db2.gz IFMFQOHWFUVRBJ-UHFFFAOYSA-N 0 0 438.553 5.222 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000020609881 527602801 /nfs/dbraw/zinc/60/28/01/527602801.db2.gz LDCYRFBQLKMRKU-NTCAYCPXSA-N 0 0 440.890 5.986 40 0 IKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000006516563 535327530 /nfs/dbraw/zinc/32/75/30/535327530.db2.gz KOGVASNISISNQJ-UHFFFAOYSA-N 0 0 425.598 5.229 40 0 IKABRN O=C(Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1)c1ccccc1Br ZINC000009031788 555507318 /nfs/dbraw/zinc/50/73/18/555507318.db2.gz CIPAQZSLGMKRNY-ZHZULCJRSA-N 0 0 448.272 5.013 40 0 IKABRN Cc1ccc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000034713723 555507339 /nfs/dbraw/zinc/50/73/39/555507339.db2.gz IIFLRVYUJIJUQC-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Br ZINC000009058315 555508052 /nfs/dbraw/zinc/50/80/52/555508052.db2.gz WTCSBYJBMVJVMN-UHFFFAOYSA-N 0 0 429.170 5.844 40 0 IKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000034746016 555508057 /nfs/dbraw/zinc/50/80/57/555508057.db2.gz WQTQTLQXUJULQP-UHFFFAOYSA-N 0 0 447.156 6.196 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(-c4ccc(CO)o4)c3)o2)cc1C ZINC000034760713 555508458 /nfs/dbraw/zinc/50/84/58/555508458.db2.gz DAKBLECSMRMCLX-UHFFFAOYSA-N 0 0 446.528 5.443 40 0 IKABRN CCn1c(SCc2ccc(F)cc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000034762698 555508527 /nfs/dbraw/zinc/50/85/27/555508527.db2.gz CZZVLEUBLVHWET-UHFFFAOYSA-N 0 0 432.318 5.905 40 0 IKABRN Cc1cccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1C ZINC000034852347 555510050 /nfs/dbraw/zinc/51/00/50/555510050.db2.gz LKWGFRFESVEUPL-UHFFFAOYSA-N 0 0 433.891 5.748 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000000734156 555553151 /nfs/dbraw/zinc/55/31/51/555553151.db2.gz DYMKVABMZRGTIK-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN O=C1S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccccc1 ZINC000034931862 555567552 /nfs/dbraw/zinc/56/75/52/555567552.db2.gz RNFORHKJIYENEO-XDHOZWIPSA-N 0 0 440.318 5.946 40 0 IKABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000034930869 555567610 /nfs/dbraw/zinc/56/76/10/555567610.db2.gz FKGVFRWSXWSENL-UHFFFAOYSA-N 0 0 441.597 5.139 40 0 IKABRN O=C(Nc1ccc(O)cc1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000865912 555573792 /nfs/dbraw/zinc/57/37/92/555573792.db2.gz NXWKUGIKCUDCHF-DGCLKSJQSA-N 0 0 442.850 5.216 40 0 IKABRN CCOc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000000882431 555578033 /nfs/dbraw/zinc/57/80/33/555578033.db2.gz GLWGGIXTJDTVIH-UHFFFAOYSA-N 0 0 439.537 5.627 40 0 IKABRN CCc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1 ZINC000000890785 555579795 /nfs/dbraw/zinc/57/97/95/555579795.db2.gz AMBWOWHUDAZDQS-UHFFFAOYSA-N 0 0 435.446 5.595 40 0 IKABRN CCc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(OC)cc3)nsc21 ZINC000000902733 555581709 /nfs/dbraw/zinc/58/17/09/555581709.db2.gz UXKQGQOTCVFJIK-UHFFFAOYSA-N 0 0 436.562 5.055 40 0 IKABRN CCOC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)cc(C)c1)c2=O ZINC000000939306 555586495 /nfs/dbraw/zinc/58/64/95/555586495.db2.gz ISPKOYUABKRSFP-UHFFFAOYSA-N 0 0 436.382 5.163 40 0 IKABRN CCc1cc(I)ccc1NC(=O)COc1cccc2ccccc21 ZINC000001255645 555687757 /nfs/dbraw/zinc/68/77/57/555687757.db2.gz QDAPZVBZNIYGEL-UHFFFAOYSA-N 0 0 431.273 5.024 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000001266851 555688432 /nfs/dbraw/zinc/68/84/32/555688432.db2.gz VDGLJNQBFGTTFZ-GORDUTHDSA-N 0 0 440.286 5.857 40 0 IKABRN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC(=O)[C@@]21C ZINC000001318432 555690039 /nfs/dbraw/zinc/69/00/39/555690039.db2.gz XRLBQELEYBVDHJ-FBEQQOCMSA-N 0 0 444.612 5.265 40 0 IKABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1cccs1 ZINC000001333502 555690595 /nfs/dbraw/zinc/69/05/95/555690595.db2.gz OJBAGCLOHOQZFM-HSZRJFAPSA-N 0 0 436.577 5.482 40 0 IKABRN Cc1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 ZINC000001339019 555690925 /nfs/dbraw/zinc/69/09/25/555690925.db2.gz GUNKHXXRYZNRDE-HSZRJFAPSA-N 0 0 433.577 5.289 40 0 IKABRN COc1cccc(C(=O)N(c2nnc(-c3ccc(Cl)cc3)s2)C2CCCC2)c1OC ZINC000001345588 555691506 /nfs/dbraw/zinc/69/15/06/555691506.db2.gz WHYKJXKOBFRPHL-UHFFFAOYSA-N 0 0 443.956 5.465 40 0 IKABRN Cc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000001352943 555691597 /nfs/dbraw/zinc/69/15/97/555691597.db2.gz DQTBBPALJUIDRV-UHFFFAOYSA-N 0 0 437.971 5.534 40 0 IKABRN C[C@H]1Cc2cc(-c3csc(NC(=O)c4ccc(Cl)cc4)n3)ccc2N1C(=O)C1CC1 ZINC000001366171 555692457 /nfs/dbraw/zinc/69/24/57/555692457.db2.gz FBGPRCNYCRPQHK-ZDUSSCGKSA-N 0 0 437.952 5.403 40 0 IKABRN C[C@@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)c1ccccc1 ZINC000009781013 555692731 /nfs/dbraw/zinc/69/27/31/555692731.db2.gz MCDMIBHTTQBFAB-UXIGCNINSA-N 0 0 438.837 5.281 40 0 IKABRN COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)NC2CCCCC2)cc1 ZINC000001371066 555692764 /nfs/dbraw/zinc/69/27/64/555692764.db2.gz UDZVUHVUXYIJPI-UHFFFAOYSA-N 0 0 447.579 5.198 40 0 IKABRN Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)Cc2cccs2)c2ccccc2C)o1 ZINC000001376681 555692977 /nfs/dbraw/zinc/69/29/77/555692977.db2.gz WFQSYHIKVKRHIR-DEOSSOPVSA-N 0 0 448.544 5.184 40 0 IKABRN Cc1cc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c(C)c1 ZINC000001380009 555693403 /nfs/dbraw/zinc/69/34/03/555693403.db2.gz XIWWRHYQPGVSPK-XMMPIXPASA-N 0 0 431.536 5.047 40 0 IKABRN CCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1Br ZINC000035018421 555694077 /nfs/dbraw/zinc/69/40/77/555694077.db2.gz XWVZUDVPCSSYLW-UHFFFAOYSA-N 0 0 437.534 6.015 40 0 IKABRN O=C(CSc1nsc2nc3ccccc3n12)Nc1ccc(Oc2ccccc2)cc1 ZINC000001468277 555701129 /nfs/dbraw/zinc/70/11/29/555701129.db2.gz JBEYTLHKBIOTFC-UHFFFAOYSA-N 0 0 432.530 5.467 40 0 IKABRN Cn1c(COc2cccc3cccnc32)nnc1SCc1ccc(Cl)cc1Cl ZINC000001480431 555701996 /nfs/dbraw/zinc/70/19/96/555701996.db2.gz ZIPUJYBFHCUEMZ-UHFFFAOYSA-N 0 0 431.348 5.541 40 0 IKABRN Cc1ccc(S(=O)(=O)[C@]2(Sc3ccccc3)S[C@H]2C(=O)c2ccccc2)cc1 ZINC000001570684 555703690 /nfs/dbraw/zinc/70/36/90/555703690.db2.gz NKNCSWBBCULUOZ-FCHUYYIVSA-N 0 0 426.584 5.213 40 0 IKABRN CN(C)C(=S)SC(=S)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001570679 555703697 /nfs/dbraw/zinc/70/36/97/555703697.db2.gz UXBNOOUEHRPLEN-UHFFFAOYSA-N 0 0 445.698 6.910 40 0 IKABRN O=CNc1c(Br)cc2c(c1Br)Cc1cc(Br)ccc1-2 ZINC000001569595 555703779 /nfs/dbraw/zinc/70/37/79/555703779.db2.gz QAVBTPVSMWEYMY-UHFFFAOYSA-N 0 0 445.936 5.114 40 0 IKABRN COC(=O)c1c(C)cc(OC)c(C/C=C(\C)CCCc2coc(C=C(C)C)c2)c1OC ZINC000001578029 555704030 /nfs/dbraw/zinc/70/40/30/555704030.db2.gz JFBRWQVSNGZWSC-WOJGMQOQSA-N 0 0 426.553 6.327 40 0 IKABRN O=C(Nc1nnc2ncc3c(n21)CCCCCCCCCC3)Nc1ccc(Cl)cc1 ZINC000001592550 555704864 /nfs/dbraw/zinc/70/48/64/555704864.db2.gz SZJSUCPIABBSDZ-UHFFFAOYSA-N 0 0 426.952 5.641 40 0 IKABRN CCN(CCO)[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001593775 555705378 /nfs/dbraw/zinc/70/53/78/555705378.db2.gz OUUMPQIDYVRUGJ-GDLZYMKVSA-N 0 0 435.567 6.259 40 0 IKABRN CC1=Nc2ccccc2SC1c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ncn1 ZINC000001617726 555705969 /nfs/dbraw/zinc/70/59/69/555705969.db2.gz PAYAGWFHUYAASY-UHFFFAOYSA-N 0 0 428.439 5.654 40 0 IKABRN O[C@H](c1c(-c2ccccc2)oc(-c2ccccc2)c1[C@@H](O)c1ccccc1)c1ccccc1 ZINC000001619556 555706326 /nfs/dbraw/zinc/70/63/26/555706326.db2.gz JLPBSURDZWABLC-NSOVKSMOSA-N 0 0 432.519 6.777 40 0 IKABRN COC(=O)N1CC[C@H](Sc2ccccc2)[C@]2(CCSc3ccccc3)CCC=C12 ZINC000001623120 555706780 /nfs/dbraw/zinc/70/67/80/555706780.db2.gz QUCPPNXNVVBRLL-UPVQGACJSA-N 0 0 425.619 6.466 40 0 IKABRN O=C(Nc1ccc(Cl)cc1Cl)O[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000001626317 555706828 /nfs/dbraw/zinc/70/68/28/555706828.db2.gz CTKKZQPFOCEYLC-MRXNPFEDSA-N 0 0 446.121 5.882 40 0 IKABRN O=C(Nc1ccc(Br)cc1)c1c(=O)oc2cc(O)ccc2c1-c1ccccc1 ZINC000001638615 555707680 /nfs/dbraw/zinc/70/76/80/555707680.db2.gz KIZWXLXXALRDDF-UHFFFAOYSA-N 0 0 436.261 5.180 40 0 IKABRN CC(=O)Oc1ccc(C(=C(Br)C(C)(C)C)c2ccc(OC(C)=O)cc2)cc1 ZINC000001643969 555707914 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448.346 6.490 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc(Cl)c1OC ZINC000408554843 555884774 /nfs/dbraw/zinc/88/47/74/555884774.db2.gz FWYWZNHAOUXIGH-UHFFFAOYSA-N 0 0 427.884 5.801 40 0 IKABRN O=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)N1c1ccccc1-c1ccccc1 ZINC000003099996 555886732 /nfs/dbraw/zinc/88/67/32/555886732.db2.gz PXUCQTCPJAIKLB-UHFFFAOYSA-N 0 0 425.487 6.974 40 0 IKABRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 ZINC000408555516 555888481 /nfs/dbraw/zinc/88/84/81/555888481.db2.gz HCOGZABPXQEAKD-QHCPKHFHSA-N 0 0 443.927 5.845 40 0 IKABRN CCOc1c(Br)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000408554208 555892048 /nfs/dbraw/zinc/89/20/48/555892048.db2.gz BWBXJVZOGUGVBQ-GOSISDBHSA-N 0 0 442.762 5.288 40 0 IKABRN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147366 555892434 /nfs/dbraw/zinc/89/24/34/555892434.db2.gz IIRIARBRGDSKOS-VWLOTQADSA-N 0 0 443.934 6.187 40 0 IKABRN CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1NC(=O)c1ccccc1 ZINC000408555803 555892694 /nfs/dbraw/zinc/89/26/94/555892694.db2.gz GKFWLJPSBCPVEK-UHFFFAOYSA-N 0 0 438.549 5.009 40 0 IKABRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OC ZINC000408556334 555893697 /nfs/dbraw/zinc/89/36/97/555893697.db2.gz JRENHWUDUWFYBX-GOSISDBHSA-N 0 0 442.762 5.288 40 0 IKABRN COC(=O)c1ccc(C(Cl)(Cl)C(Cl)(Cl)c2ccc(C(=O)OC)cc2)cc1 ZINC000003200326 555897482 /nfs/dbraw/zinc/89/74/82/555897482.db2.gz MLWNGTABKSBIJX-UHFFFAOYSA-N 0 0 436.118 5.221 40 0 IKABRN COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408558821 555898105 /nfs/dbraw/zinc/89/81/05/555898105.db2.gz WFJHECGSFZDTQB-UHFFFAOYSA-N 0 0 431.319 5.632 40 0 IKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc2ccccc21 ZINC000408560817 555902347 /nfs/dbraw/zinc/90/23/47/555902347.db2.gz FEFVPJBUIBLFHK-RWEWTDSWSA-N 0 0 441.383 6.746 40 0 IKABRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000408561107 555902881 /nfs/dbraw/zinc/90/28/81/555902881.db2.gz GQIUNUOZRMPPGV-NMWGTECJSA-N 0 0 425.768 6.246 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(Br)cc1 ZINC000408561586 555903757 /nfs/dbraw/zinc/90/37/57/555903757.db2.gz KAQKXKIDGDRRHP-LNVKXUELSA-N 0 0 445.382 5.311 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(F)cc1 ZINC000408561965 555904948 /nfs/dbraw/zinc/90/49/48/555904948.db2.gz MCSVXRCRRKBPQO-DAFNUICNSA-N 0 0 437.367 6.376 40 0 IKABRN O=C(c1ccc(CSc2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408562600 555906033 /nfs/dbraw/zinc/90/60/33/555906033.db2.gz CZWYKUJVSTUNPD-JXMROGBWSA-N 0 0 428.601 5.450 40 0 IKABRN COC(=O)c1c2c(sc1NC(=O)CSCc1c(Cl)cccc1Cl)CCC2 ZINC000408562999 555906831 /nfs/dbraw/zinc/90/68/31/555906831.db2.gz HMDFFLXZCHFQFJ-UHFFFAOYSA-N 0 0 430.378 5.202 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(F)cc2)n(CC)c1-c1ccc(Br)cc1 ZINC000408563144 555907197 /nfs/dbraw/zinc/90/71/97/555907197.db2.gz UEBFWNWYWTVVMN-FLFQWRMESA-N 0 0 447.373 5.832 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)CSCc3c(Cl)cccc3Cl)ccc21 ZINC000408570118 555913269 /nfs/dbraw/zinc/91/32/69/555913269.db2.gz ZECOCHADYMUYQM-UHFFFAOYSA-N 0 0 443.399 6.993 40 0 IKABRN COc1ccc(CCNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000408571209 555914760 /nfs/dbraw/zinc/91/47/60/555914760.db2.gz AEHOTHQQOPWDDL-UHFFFAOYSA-N 0 0 441.980 5.444 40 0 IKABRN COc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408571225 555915116 /nfs/dbraw/zinc/91/51/16/555915116.db2.gz AJWSJIVNQMMTTH-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408571834 555915418 /nfs/dbraw/zinc/91/54/18/555915418.db2.gz CSZQIRNYJQPDQH-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN S=C(NC[C@H]1CCCO1)c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408571993 555915629 /nfs/dbraw/zinc/91/56/29/555915629.db2.gz DSYAKCVREWIZLV-OAHLLOKOSA-N 0 0 440.790 5.126 40 0 IKABRN O=C(C(=O)N1CCCCC1)c1cn(CCOc2cccc3ccccc32)c2ccccc12 ZINC000408572416 555916053 /nfs/dbraw/zinc/91/60/53/555916053.db2.gz RCEGLNUPSOZPMM-UHFFFAOYSA-N 0 0 426.516 5.069 40 0 IKABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nn12 ZINC000408572251 555916058 /nfs/dbraw/zinc/91/60/58/555916058.db2.gz HOQUVZNDNDSHCQ-UHFFFAOYSA-N 0 0 435.896 5.327 40 0 IKABRN CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000408563822 555917179 /nfs/dbraw/zinc/91/71/79/555917179.db2.gz RGDLPKPRHQIPFN-UHFFFAOYSA-N 0 0 425.381 5.347 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408564116 555917428 /nfs/dbraw/zinc/91/74/28/555917428.db2.gz XXDIXNMLPBPPIF-GFMRDNFCSA-N 0 0 439.795 6.500 40 0 IKABRN COc1ccc(/C=C(/C(=O)Nc2ccccc2C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000408564266 555917456 /nfs/dbraw/zinc/91/74/56/555917456.db2.gz UPTSGVXISVJUGE-LKUDQCMESA-N 0 0 440.543 5.501 40 0 IKABRN CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(F)cc1 ZINC000408564622 555918098 /nfs/dbraw/zinc/91/80/98/555918098.db2.gz ZXWGIPOCEXXYHW-ATJXCDBQSA-N 0 0 433.346 5.442 40 0 IKABRN CCc1ccc(CNC(=S)c2cccc(OC)c2OCc2ccccc2Cl)cc1 ZINC000408573804 555923902 /nfs/dbraw/zinc/92/39/02/555923902.db2.gz KRLXJUBHYLEFAW-UHFFFAOYSA-N 0 0 425.981 5.955 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Br)cc1 ZINC000408573865 555924330 /nfs/dbraw/zinc/92/43/30/555924330.db2.gz PFKPLVAIVHQVIR-ACCUITESSA-N 0 0 427.323 5.236 40 0 IKABRN COc1ccc(CNC(=S)c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408574369 555925203 /nfs/dbraw/zinc/92/52/03/555925203.db2.gz MBQKCKWIWJEAEW-UHFFFAOYSA-N 0 0 442.378 5.502 40 0 IKABRN COc1ccc(CCNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408574354 555925239 /nfs/dbraw/zinc/92/52/39/555925239.db2.gz LYWONAKYNRGNMN-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)cc1 ZINC000408574596 555925443 /nfs/dbraw/zinc/92/54/43/555925443.db2.gz IPTVQIONSYZUBJ-UHFFFAOYSA-N 0 0 435.898 7.212 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccccc1F ZINC000408574857 555925513 /nfs/dbraw/zinc/92/55/13/555925513.db2.gz LYQFIVINOPPBID-UHFFFAOYSA-N 0 0 439.295 5.186 40 0 IKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408580679 555925694 /nfs/dbraw/zinc/92/56/94/555925694.db2.gz QQFGFBFGESCAAS-NRFANRHFSA-N 0 0 447.343 5.613 40 0 IKABRN COc1cc(C(=S)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1 ZINC000408575257 555925702 /nfs/dbraw/zinc/92/57/02/555925702.db2.gz NLWJSNVNZVEJSZ-UHFFFAOYSA-N 0 0 441.936 5.122 40 0 IKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408574980 555925812 /nfs/dbraw/zinc/92/58/12/555925812.db2.gz NNMHJZFHVLIIPI-UHFFFAOYSA-N 0 0 448.346 6.235 40 0 IKABRN COc1cccc(C(=S)NCc2cccc(C)c2)c1OCc1c(Cl)cccc1Cl ZINC000408575442 555926000 /nfs/dbraw/zinc/92/60/00/555926000.db2.gz OHHJAOAFDDMKSR-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN CCCC(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000408575311 555926076 /nfs/dbraw/zinc/92/60/76/555926076.db2.gz UEMWQRJVPGEPHB-FYWRMAATSA-N 0 0 433.533 5.212 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)CSCc2ccccc2Br)cc1 ZINC000408576393 555926564 /nfs/dbraw/zinc/92/65/64/555926564.db2.gz UGTGFKHWQFLNSZ-UHFFFAOYSA-N 0 0 436.371 5.278 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)/C(=C/c1ccco1)c1ccccc1 ZINC000408576334 555926667 /nfs/dbraw/zinc/92/66/67/555926667.db2.gz SKOGKHOEKZIGQL-OQKWZONESA-N 0 0 427.887 6.343 40 0 IKABRN CCc1ccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000408576754 555927333 /nfs/dbraw/zinc/92/73/33/555927333.db2.gz QXVYFWIOLLXWTM-UHFFFAOYSA-N 0 0 440.406 6.056 40 0 IKABRN S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000408577489 555928297 /nfs/dbraw/zinc/92/82/97/555928297.db2.gz SUCFZWDJWUHWGP-UHFFFAOYSA-N 0 0 446.355 5.766 40 0 IKABRN S=C(NCc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408577562 555928470 /nfs/dbraw/zinc/92/84/70/555928470.db2.gz TUXUGKXZVQWCNV-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408578035 555929221 /nfs/dbraw/zinc/92/92/21/555929221.db2.gz SCILCOYJAOGWBT-SFQUDFHCSA-N 0 0 436.260 7.192 40 0 IKABRN Cc1ccccc1CNC(=S)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408578214 555929466 /nfs/dbraw/zinc/92/94/66/555929466.db2.gz WWBMDVMDEHXJGX-UHFFFAOYSA-N 0 0 426.379 5.802 40 0 IKABRN COc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000408578136 555929537 /nfs/dbraw/zinc/92/95/37/555929537.db2.gz VXXVWAHWXYMGGD-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1S(=O)(=O)Nc1ccccc1 ZINC000408580733 555933227 /nfs/dbraw/zinc/93/32/27/555933227.db2.gz RLJTZOBCHVBUQR-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1C ZINC000408585152 555935591 /nfs/dbraw/zinc/93/55/91/555935591.db2.gz BONHXTKCBWEPEG-UHFFFAOYSA-N 0 0 427.136 5.561 40 0 IKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1I ZINC000408585684 555936299 /nfs/dbraw/zinc/93/62/99/555936299.db2.gz HFERUCQNWMUURB-UHFFFAOYSA-N 0 0 429.685 5.376 40 0 IKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc(I)c1 ZINC000408585765 555936634 /nfs/dbraw/zinc/93/66/34/555936634.db2.gz ICCMNXCKIDFSFM-UHFFFAOYSA-N 0 0 429.685 5.376 40 0 IKABRN C[C@H]1CC[C@@](C)(COC(=O)c2ccccc2C(=O)OC[C@]2(C)CC[C@H](C)C2(C)C)C1(C)C ZINC000003846141 555948082 /nfs/dbraw/zinc/94/80/82/555948082.db2.gz NKAAAQIOGVGJLI-DXBSEXLMSA-N 0 0 442.640 6.925 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)=CC1 ZINC000003846376 555948485 /nfs/dbraw/zinc/94/84/85/555948485.db2.gz GSMGNZCKZIUPCV-POGVWIKGSA-N 0 0 444.656 6.641 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C=C[C@H](C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000003846383 555948500 /nfs/dbraw/zinc/94/85/00/555948500.db2.gz GNVGQELMUVQTKO-NTRMVETHSA-N 0 0 446.672 6.577 40 0 IKABRN Cc1ccc(-c2onc(C(=O)c3ccc(Cl)cc3)c2S(=O)(=O)c2ccccc2)cc1 ZINC000003848859 555948608 /nfs/dbraw/zinc/94/86/08/555948608.db2.gz VQWAAXLUHWEBME-UHFFFAOYSA-N 0 0 437.904 5.367 40 0 IKABRN CC(C)(C)c1ncc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1Cl ZINC000003851967 555949364 /nfs/dbraw/zinc/94/93/64/555949364.db2.gz RBNGRJRTCZQBAA-UHFFFAOYSA-N 0 0 425.760 5.717 40 0 IKABRN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(C)c(Cl)c1)CCCC3 ZINC000408599917 555958354 /nfs/dbraw/zinc/95/83/54/555958354.db2.gz OGWSPOZGLSXHSF-UHFFFAOYSA-N 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Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000013708402 556283522 /nfs/dbraw/zinc/28/35/22/556283522.db2.gz LPGJDFIRESUVFE-FQEVSTJZSA-N 0 0 427.569 6.847 40 0 IKABRN Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000013708485 556283562 /nfs/dbraw/zinc/28/35/62/556283562.db2.gz LRFZTUMDABVEAC-CQSZACIVSA-N 0 0 431.273 5.159 40 0 IKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013717029 556287981 /nfs/dbraw/zinc/28/79/81/556287981.db2.gz KGMKCIDVLJJSGK-UHFFFAOYSA-N 0 0 427.931 7.293 40 0 IKABRN CC[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716703 556287999 /nfs/dbraw/zinc/28/79/99/556287999.db2.gz CWVUJYFBGDOCGF-XMMPIXPASA-N 0 0 436.577 5.154 40 0 IKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)c1 ZINC000009570168 556299757 /nfs/dbraw/zinc/29/97/57/556299757.db2.gz VXSQWAFTGAQLFX-UHFFFAOYSA-N 0 0 428.561 5.206 40 0 IKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000009570204 556299809 /nfs/dbraw/zinc/29/98/09/556299809.db2.gz PXPLGPCODUKFAY-UHFFFAOYSA-N 0 0 432.524 5.036 40 0 IKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4Cc5no[n+]([O-])c5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000036371656 556306820 /nfs/dbraw/zinc/30/68/20/556306820.db2.gz WOECLDQDCSEWTG-AZUOSWQVSA-N 0 0 428.661 6.344 40 0 IKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4Cc5no[n+]([O-])c5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036371658 556307237 /nfs/dbraw/zinc/30/72/37/556307237.db2.gz WOECLDQDCSEWTG-WRUPXOJVSA-N 0 0 428.661 6.344 40 0 IKABRN CC(=O)O[C@@H]1c2ccc3c(c2CCC1=O)CC[C@@]1(C)[C@@H]3CC[C@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000036371915 556307278 /nfs/dbraw/zinc/30/72/78/556307278.db2.gz NBPHAHNFMOQFSI-PPFKNVMVSA-N 0 0 438.652 6.961 40 0 IKABRN CC(=O)O[C@@H]1c2ccc3c(c2CCC1=O)CC[C@@]1(C)[C@H]3CC[C@@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000036371914 556307301 /nfs/dbraw/zinc/30/73/01/556307301.db2.gz NBPHAHNFMOQFSI-XNBMUXKHSA-N 0 0 438.652 6.961 40 0 IKABRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccc(Br)c1)[C@@H]2O ZINC000036612002 556307836 /nfs/dbraw/zinc/30/78/36/556307836.db2.gz NKLBOHZLKULONG-UUTODYQQSA-N 0 0 443.469 7.236 40 0 IKABRN CN(c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1cccs1 ZINC000010009651 556321482 /nfs/dbraw/zinc/32/14/82/556321482.db2.gz ZGDHGESSKHMQGB-UHFFFAOYSA-N 0 0 441.361 5.132 40 0 IKABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C ZINC000010009810 556321714 /nfs/dbraw/zinc/32/17/14/556321714.db2.gz IEXIGGZFWVWAMT-UHFFFAOYSA-N 0 0 442.968 5.247 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)cc1C ZINC000010010907 556322337 /nfs/dbraw/zinc/32/23/37/556322337.db2.gz ZVSBGMFKEQXVCK-UHFFFAOYSA-N 0 0 442.968 5.329 40 0 IKABRN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)sc2nc(-c3ccccc3)cn12 ZINC000010069105 556325017 /nfs/dbraw/zinc/32/50/17/556325017.db2.gz ONBSWWBDTKENKM-UHFFFAOYSA-N 0 0 435.858 6.296 40 0 IKABRN O=C(NCCCCCCCCCCCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000013881877 556326300 /nfs/dbraw/zinc/32/63/00/556326300.db2.gz LHMQAROMHKYMPP-UHFFFAOYSA-N 0 0 444.566 6.026 40 0 IKABRN Cc1nn2c(nnc3c2C[C@@H](c2ccc(C(C)C)cc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156909 556326958 /nfs/dbraw/zinc/32/69/58/556326958.db2.gz LIUCBHXXKCPMJW-LJQANCHMSA-N 0 0 430.939 5.789 40 0 IKABRN O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000010156762 556327005 /nfs/dbraw/zinc/32/70/05/556327005.db2.gz WHRFGNLCEDDDGX-UHFFFAOYSA-N 0 0 431.706 5.161 40 0 IKABRN CC(C)c1nn2c(nnc3c2C[C@H](c2ccccc2O)CC3=O)c1-c1cccc(Cl)c1 ZINC000010157000 556327276 /nfs/dbraw/zinc/32/72/76/556327276.db2.gz IVAKBFVGTFBMNB-HNNXBMFYSA-N 0 0 432.911 5.186 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1 ZINC000010326261 556331132 /nfs/dbraw/zinc/33/11/32/556331132.db2.gz GAHGYUXDHKFNPF-LJQANCHMSA-N 0 0 448.588 5.421 40 0 IKABRN C[C@@H]1Cc2cc(C(=O)Nc3cccc4ccccc43)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325242 556331216 /nfs/dbraw/zinc/33/12/16/556331216.db2.gz OINCCMMGPLHKPE-GOSISDBHSA-N 0 0 442.540 5.232 40 0 IKABRN CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000010327782 556331817 /nfs/dbraw/zinc/33/18/17/556331817.db2.gz KEYLINQFHPLZHM-UHFFFAOYSA-N 0 0 442.968 5.275 40 0 IKABRN Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000010327827 556331866 /nfs/dbraw/zinc/33/18/66/556331866.db2.gz SALCQUMZLHHDDQ-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000010330514 556332142 /nfs/dbraw/zinc/33/21/42/556332142.db2.gz VWVHSCXMYDSSGG-UHFFFAOYSA-N 0 0 436.577 5.238 40 0 IKABRN Cc1ccc(C)c(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000010333955 556332464 /nfs/dbraw/zinc/33/24/64/556332464.db2.gz BWLXOIVBEJAGPR-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OC ZINC000214748284 556340879 /nfs/dbraw/zinc/34/08/79/556340879.db2.gz BZMBOYIYFCHUFG-VCHYOVAHSA-N 0 0 438.332 5.637 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000013953139 556344581 /nfs/dbraw/zinc/34/45/81/556344581.db2.gz FVJVYPIPLKEQOU-UHFFFAOYSA-N 0 0 427.718 7.114 40 0 IKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000013957798 556345657 /nfs/dbraw/zinc/34/56/57/556345657.db2.gz JYQBPUXBYACHBD-UHFFFAOYSA-N 0 0 426.825 6.826 40 0 IKABRN CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013965153 556350101 /nfs/dbraw/zinc/35/01/01/556350101.db2.gz NUUCGUCVBPMAJO-KNTRCKAVSA-N 0 0 438.615 5.931 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000013999632 556353481 /nfs/dbraw/zinc/35/34/81/556353481.db2.gz KXFKPFXZZDVXCU-HXUWFJFHSA-N 0 0 430.548 5.627 40 0 IKABRN O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1cccc(Br)c1 ZINC000014406319 556415585 /nfs/dbraw/zinc/41/55/85/556415585.db2.gz ZSYDHVHBAMQQNC-UHFFFAOYSA-N 0 0 441.375 6.553 40 0 IKABRN Cc1ccc([C@@H](NC(=O)c2ccccc2I)c2ccccc2)cc1 ZINC000014577252 556427372 /nfs/dbraw/zinc/42/73/72/556427372.db2.gz LOIRUFIOCZXREP-FQEVSTJZSA-N 0 0 427.285 5.119 40 0 IKABRN CCCCOc1ccc(-c2nc3c4cnn(-c5cc(Cl)ccc5C)c4ncn3n2)cc1 ZINC000027795869 556433100 /nfs/dbraw/zinc/43/31/00/556433100.db2.gz LABIIZVYFJBRKC-UHFFFAOYSA-N 0 0 432.915 5.271 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 ZINC000027840848 556434266 /nfs/dbraw/zinc/43/42/66/556434266.db2.gz HQUAVVNVHKTGOO-UHFFFAOYSA-N 0 0 439.342 7.351 40 0 IKABRN CCCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 ZINC000039427773 556435285 /nfs/dbraw/zinc/43/52/85/556435285.db2.gz VRNDADJNKBAIBM-XMMPIXPASA-N 0 0 445.567 5.473 40 0 IKABRN O=C(/C=C/c1cccs1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000039766041 556436975 /nfs/dbraw/zinc/43/69/75/556436975.db2.gz UHOQTRNXMBTGHX-VAWYXSNFSA-N 0 0 432.530 5.171 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039772995 556437693 /nfs/dbraw/zinc/43/76/93/556437693.db2.gz KLRBUJMLLZFFJX-UHFFFAOYSA-N 0 0 449.275 6.002 40 0 IKABRN O=c1c2c(nc(SCc3ccccc3Cl)n1-c1ccccc1)sc1c2CCCC1 ZINC000039869109 556437716 /nfs/dbraw/zinc/43/77/16/556437716.db2.gz ZODXYMLPWDMENV-UHFFFAOYSA-N 0 0 439.005 6.272 40 0 IKABRN COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccc(C)cc2)C1=O ZINC000039857481 556437811 /nfs/dbraw/zinc/43/78/11/556437811.db2.gz FGWSICPVJXNZBT-HAHDFKILSA-N 0 0 431.513 5.824 40 0 IKABRN Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000037100517 556440305 /nfs/dbraw/zinc/44/03/05/556440305.db2.gz DYBPQEIEBDTVKP-SANMLTNESA-N 0 0 427.523 5.362 40 0 IKABRN COc1ccccc1N1CCN([C@H](C(=O)c2c(C)[nH]c3ccccc32)c2ccccc2)CC1 ZINC000037100535 556440376 /nfs/dbraw/zinc/44/03/76/556440376.db2.gz YJOOUQNKLQYYDY-MHZLTWQESA-N 0 0 439.559 5.231 40 0 IKABRN Cc1cccc2cc([C@@H]3CC(c4cccs4)=NN3C(=O)c3ccccc3F)c(Cl)nc12 ZINC000013027678 556440999 /nfs/dbraw/zinc/44/09/99/556440999.db2.gz IUKUDVSOQKQCQL-FQEVSTJZSA-N 0 0 449.938 6.389 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000014824923 556448563 /nfs/dbraw/zinc/44/85/63/556448563.db2.gz WOYOFEBGYOSIBM-UHFFFAOYSA-N 0 0 447.771 5.074 40 0 IKABRN Cc1ccc(/N=c2/scc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(C)cc2)cc1 ZINC000014920023 556458377 /nfs/dbraw/zinc/45/83/77/556458377.db2.gz SVEHASWJWDAMKP-QVIHXGFCSA-N 0 0 432.592 7.722 40 0 IKABRN CC(C)c1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(C(C)C)c1O ZINC000408866252 556458518 /nfs/dbraw/zinc/45/85/18/556458518.db2.gz GPZURATYEXDGRO-JAIQZWGSSA-N 0 0 429.969 6.529 40 0 IKABRN CCN(CC)c1nc(Nc2cc(C)ccc2C)nc(Nc2cc(Cl)ccc2Cl)n1 ZINC000014920558 556458666 /nfs/dbraw/zinc/45/86/66/556458666.db2.gz SUWVGVOEDVDYQV-UHFFFAOYSA-N 0 0 431.371 6.129 40 0 IKABRN FC(F)(F)c1cccc(Oc2nnc(-c3cccc(C(F)(F)F)c3)c3ccccc32)c1 ZINC000013115369 556467857 /nfs/dbraw/zinc/46/78/57/556467857.db2.gz YESVNKFFPDIZFZ-UHFFFAOYSA-N 0 0 434.339 7.127 40 0 IKABRN O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(c2ccccc2)CC1 ZINC000029504998 556476858 /nfs/dbraw/zinc/47/68/58/556476858.db2.gz TZDYNSFYAVFUEU-UHFFFAOYSA-N 0 0 427.479 5.110 40 0 IKABRN CSc1nnc2c(n1)O[C@@H](c1c[nH]c3ccccc31)Nc1ccc(Br)cc1-2 ZINC000015015806 556485207 /nfs/dbraw/zinc/48/52/07/556485207.db2.gz ALXQMAXQLXSBFM-KRWDZBQOSA-N 0 0 440.326 5.007 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000408912728 556497772 /nfs/dbraw/zinc/49/77/72/556497772.db2.gz RCZMISKFDZQVPK-UHFFFAOYSA-N 0 0 436.577 5.654 40 0 IKABRN CC(C)c1cc(Br)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000408911421 556498097 /nfs/dbraw/zinc/49/80/97/556498097.db2.gz JLIXNDVIHFJAPU-NSHDSACASA-N 0 0 431.157 6.285 40 0 IKABRN S=C(Nc1c2ccccc2nc2c1CCCC2)Nc1c2ccccc2nc2c1CCCC2 ZINC000013222699 556499003 /nfs/dbraw/zinc/49/90/03/556499003.db2.gz GMCNXFSROKTTBP-UHFFFAOYSA-N 0 0 438.600 6.350 40 0 IKABRN Cc1cccc(CC(=O)NCc2ccc(-c3nc(C(C)C)ncc3-c3ccncc3)cc2)c1 ZINC000013227594 556500083 /nfs/dbraw/zinc/50/00/83/556500083.db2.gz JNILJIKUYHDUFP-UHFFFAOYSA-N 0 0 436.559 5.496 40 0 IKABRN COc1ccc(CCCC(=O)Nc2ccc(I)cc2C(C)C)cc1 ZINC000408914652 556500085 /nfs/dbraw/zinc/50/00/85/556500085.db2.gz VOUYYDCAVFNISF-UHFFFAOYSA-N 0 0 437.321 5.385 40 0 IKABRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1Cl ZINC000408918363 556502604 /nfs/dbraw/zinc/50/26/04/556502604.db2.gz JOPPJWLZZFDWLB-ZKKFKWFVSA-N 0 0 434.322 5.396 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)cc1 ZINC000030753072 556503538 /nfs/dbraw/zinc/50/35/38/556503538.db2.gz KMXWLGVXLBKFPE-XMMPIXPASA-N 0 0 436.577 5.010 40 0 IKABRN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)sc2c1CCCC2 ZINC000030752402 556503574 /nfs/dbraw/zinc/50/35/74/556503574.db2.gz DXEMWYJMHGKKCH-FQEVSTJZSA-N 0 0 437.561 5.753 40 0 IKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@@](O)(/C=C/c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000013399893 556504553 /nfs/dbraw/zinc/50/45/53/556504553.db2.gz JBTRSWYBSZRTOK-PXCSJGCISA-N 0 0 436.636 6.405 40 0 IKABRN C[C@@H]1CC[C@](C)(COC(=O)c2ccccc2C(=O)OC[C@@]2(C)CC[C@@H](C)C2(C)C)C1(C)C ZINC000013405259 556504737 /nfs/dbraw/zinc/50/47/37/556504737.db2.gz NKAAAQIOGVGJLI-IRRGGTJQSA-N 0 0 442.640 6.925 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000030756965 556504848 /nfs/dbraw/zinc/50/48/48/556504848.db2.gz ITYABVHIJXIYLB-UHFFFAOYSA-N 0 0 440.590 5.184 40 0 IKABRN COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1OC ZINC000030758404 556505582 /nfs/dbraw/zinc/50/55/82/556505582.db2.gz PPNYKFVZKIPFHM-LJQANCHMSA-N 0 0 430.548 5.148 40 0 IKABRN CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000013423784 556505623 /nfs/dbraw/zinc/50/56/23/556505623.db2.gz MCXULCLKYCWUMP-NMHQMSSUSA-N 0 0 432.689 6.417 40 0 biogenic,in-vitro IKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000030847906 556507835 /nfs/dbraw/zinc/50/78/35/556507835.db2.gz QELBBSGXEWJLBI-GOSISDBHSA-N 0 0 438.549 5.017 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 ZINC000030847809 556507889 /nfs/dbraw/zinc/50/78/89/556507889.db2.gz OPJMJKAATKPNQH-HNNXBMFYSA-N 0 0 446.931 5.079 40 0 IKABRN Nc1ccc(-c2nc3cc(Oc4ccc5[nH]c(-c6ccc(N)cc6)nc5c4)ccc3[nH]2)cc1 ZINC000013477716 556507936 /nfs/dbraw/zinc/50/79/36/556507936.db2.gz XZKWXKGILWZHBR-UHFFFAOYSA-N 0 0 432.487 5.730 40 0 IKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498379 556509108 /nfs/dbraw/zinc/50/91/08/556509108.db2.gz CVNAXNNLEKWLGB-RUZDIDTESA-N 0 0 448.588 5.133 40 0 IKABRN Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1 ZINC000013497807 556509117 /nfs/dbraw/zinc/50/91/17/556509117.db2.gz RAYHCJFUNRDJOW-RUZDIDTESA-N 0 0 447.604 5.136 40 0 IKABRN Cc1ccccc1CSCC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030853822 556509574 /nfs/dbraw/zinc/50/95/74/556509574.db2.gz CLGIUIQEKLSGMX-UHFFFAOYSA-N 0 0 431.601 6.395 40 0 IKABRN CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccccc1 ZINC000030854409 556509624 /nfs/dbraw/zinc/50/96/24/556509624.db2.gz RPHNVWQITAZSEW-QFIPXVFZSA-N 0 0 442.968 5.330 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3)cc2)cc1 ZINC000030853574 556509631 /nfs/dbraw/zinc/50/96/31/556509631.db2.gz UFPNRIGVKBDZMD-NDEPHWFRSA-N 0 0 437.608 7.115 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc(C)cc3C)c2C)cc1 ZINC000030853475 556509641 /nfs/dbraw/zinc/50/96/41/556509641.db2.gz PJSMLHFXZGGBAK-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000030854908 556509720 /nfs/dbraw/zinc/50/97/20/556509720.db2.gz WPFVIRGUJFPYLC-UHFFFAOYSA-N 0 0 427.831 5.952 40 0 IKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030854672 556509729 /nfs/dbraw/zinc/50/97/29/556509729.db2.gz KLPDCGGYTZPLHL-LJQANCHMSA-N 0 0 442.934 5.578 40 0 IKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030855395 556510128 /nfs/dbraw/zinc/51/01/28/556510128.db2.gz BIYVGMXAGZDMRT-HSZRJFAPSA-N 0 0 449.978 6.665 40 0 IKABRN CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1OC ZINC000013509645 556510340 /nfs/dbraw/zinc/51/03/40/556510340.db2.gz YNYXONTWPKVIML-UHFFFAOYSA-N 0 0 443.551 5.783 40 0 IKABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000030858066 556510428 /nfs/dbraw/zinc/51/04/28/556510428.db2.gz XPHUKZNHBJVEJO-UHFFFAOYSA-N 0 0 436.964 6.011 40 0 IKABRN CCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(Cl)c1 ZINC000037188475 556510629 /nfs/dbraw/zinc/51/06/29/556510629.db2.gz KDGBUPKGVSOBLM-UHFFFAOYSA-N 0 0 433.571 6.184 40 0 IKABRN Cc1cccc(CS(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000030859188 556510777 /nfs/dbraw/zinc/51/07/77/556510777.db2.gz NEILDNXXHGCISO-UHFFFAOYSA-N 0 0 436.577 5.487 40 0 IKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000030860233 556510963 /nfs/dbraw/zinc/51/09/63/556510963.db2.gz GFIJZZDKXUKCGG-NBGIEHNGSA-N 0 0 430.548 5.591 40 0 IKABRN Cc1ccc(OCCCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000030861287 556511003 /nfs/dbraw/zinc/51/10/03/556511003.db2.gz YTCLZFZJODCTBD-UHFFFAOYSA-N 0 0 444.575 6.343 40 0 IKABRN O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1ccccc1)N2 ZINC000015230964 556512917 /nfs/dbraw/zinc/51/29/17/556512917.db2.gz FTGWMAWRYWOGKN-CPANBIMZSA-N 0 0 430.498 6.514 40 0 IKABRN O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408921457 556513101 /nfs/dbraw/zinc/51/31/01/556513101.db2.gz IAAZDFNUQGCTQI-LHHJGKSTSA-N 0 0 447.343 5.446 40 0 IKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000030869435 556513108 /nfs/dbraw/zinc/51/31/08/556513108.db2.gz LZLAHMVCPQKKGA-JOCHJYFZSA-N 0 0 436.939 5.109 40 0 IKABRN O=C(N[C@H]1CCCc2ccccc21)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F ZINC000036615809 556513373 /nfs/dbraw/zinc/51/33/73/556513373.db2.gz FUAIZIKHIDNOML-QFIPXVFZSA-N 0 0 426.495 5.244 40 0 IKABRN Cc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2Cl)c2ccccc2)cc1 ZINC000030871351 556513743 /nfs/dbraw/zinc/51/37/43/556513743.db2.gz LVGVCBWORFMFHV-QFIPXVFZSA-N 0 0 444.756 5.696 40 0 IKABRN Cc1ccc([C@H](NC(=O)COc2ccc(Br)cc2Cl)c2ccccc2)cc1 ZINC000030871358 556513817 /nfs/dbraw/zinc/51/38/17/556513817.db2.gz LVGVCBWORFMFHV-JOCHJYFZSA-N 0 0 444.756 5.696 40 0 IKABRN Cc1ccc([C@H](NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c2ccccc2)cc1 ZINC000030873410 556514054 /nfs/dbraw/zinc/51/40/54/556514054.db2.gz CTORWBGLZSSAKN-MYYVYBLQSA-N 0 0 437.970 7.095 40 0 IKABRN COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCc1ccc(C)cc1 ZINC000013547511 556514269 /nfs/dbraw/zinc/51/42/69/556514269.db2.gz MZBMHFUWFVVLQV-UHFFFAOYSA-N 0 0 446.616 5.076 40 0 IKABRN Nc1c2cc3c(nc2sc1C(=O)Nc1cccnc1Cl)CC[C@@H](c1ccccc1)C3 ZINC000015277071 556514698 /nfs/dbraw/zinc/51/46/98/556514698.db2.gz VTVCDHGWRWFMKN-CQSZACIVSA-N 0 0 434.952 5.452 40 0 IKABRN COc1cccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)c1OCc1cccc2ccccc21 ZINC000015277432 556514855 /nfs/dbraw/zinc/51/48/55/556514855.db2.gz JSSUESDZFUKREF-KOEQRZSOSA-N 0 0 449.506 6.080 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000030938717 556515606 /nfs/dbraw/zinc/51/56/06/556515606.db2.gz JNUBVLACMAWUMH-UHFFFAOYSA-N 0 0 432.178 6.151 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030938688 556515637 /nfs/dbraw/zinc/51/56/37/556515637.db2.gz VWWGTRGOVQSHNR-GFCCVEGCSA-N 0 0 432.178 6.151 40 0 IKABRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(-n4ccnc4)c(Cl)c3)c12 ZINC000036616967 556516560 /nfs/dbraw/zinc/51/65/60/556516560.db2.gz UAFOJOJTJKFWMN-UHFFFAOYSA-N 0 0 448.939 5.097 40 0 IKABRN COc1ccc([C@@H]2CC(c3ccccc3)=CC3=Nc4ncnn4[C@@H](c4ccccc4)C32)cc1 ZINC000015303486 556517162 /nfs/dbraw/zinc/51/71/62/556517162.db2.gz COOSSAZYXWEGIW-IGKIAQTJSA-N 0 0 432.527 5.827 40 0 IKABRN COc1c(Br)cc(Br)cc1CNc1ccc(Br)cc1 ZINC000037203548 556520653 /nfs/dbraw/zinc/52/06/53/556520653.db2.gz WYBCWZHVGKONMG-UHFFFAOYSA-N 0 0 449.968 5.595 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)c(C)c1 ZINC000408923896 556520802 /nfs/dbraw/zinc/52/08/02/556520802.db2.gz HWGAKYDECBECKT-GOSISDBHSA-N 0 0 440.590 5.224 40 0 IKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nnc(SCc2ccccc2F)s1 ZINC000015324162 556521615 /nfs/dbraw/zinc/52/16/15/556521615.db2.gz NZMMTXMXSWGBAB-UHFFFAOYSA-N 0 0 435.549 5.818 40 0 IKABRN COc1ccc(-c2noc3nc(C)cc(C(=O)Nc4cc(C)ccc4OC(F)F)c32)cc1 ZINC000036619471 556524237 /nfs/dbraw/zinc/52/42/37/556524237.db2.gz IWBKBFYRYGDVJY-UHFFFAOYSA-N 0 0 439.418 5.369 40 0 IKABRN CCCC[NH+](CCCC)C[C@H](C(C)=O)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841529 556526746 /nfs/dbraw/zinc/52/67/46/556526746.db2.gz SGJLLIYCHAVIGF-ILBGXUMGSA-N 0 0 449.591 5.738 40 0 IKABRN CC(=O)[C@@H](C[NH+](CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841580 556526886 /nfs/dbraw/zinc/52/68/86/556526886.db2.gz WLJJKQXSWXBIGG-ILBGXUMGSA-N 0 0 449.591 5.450 40 0 IKABRN COC(=O)[C@H](N)Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000031947079 556528145 /nfs/dbraw/zinc/52/81/45/556528145.db2.gz MCHCARFNAUXEMK-HHHXNRCGSA-N 0 0 437.539 5.100 40 0 IKABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032017356 556528174 /nfs/dbraw/zinc/52/81/74/556528174.db2.gz AUDIEJMUMVWTGE-UHFFFAOYSA-N 0 0 442.562 5.123 40 0 IKABRN CCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032100703 556528843 /nfs/dbraw/zinc/52/88/43/556528843.db2.gz YUDVKTYLNNAFEX-QHCPKHFHSA-N 0 0 448.485 5.031 40 0 IKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nc2c1 ZINC000032109337 556530023 /nfs/dbraw/zinc/53/00/23/556530023.db2.gz ZDOAALYAUIOHFD-UHFFFAOYSA-N 0 0 448.950 6.772 40 0 IKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000032109304 556530083 /nfs/dbraw/zinc/53/00/83/556530083.db2.gz HDGLZFMFFIXHNQ-UHFFFAOYSA-N 0 0 435.332 5.633 40 0 IKABRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC[C@H](C)COc1ccccc1 ZINC000032109509 556530095 /nfs/dbraw/zinc/53/00/95/556530095.db2.gz HQRRYVRPFWBUDR-GEYIUBJWSA-N 0 0 429.563 5.508 40 0 IKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000032111936 556530656 /nfs/dbraw/zinc/53/06/56/556530656.db2.gz FFGIESKRVHDDTA-SFHVURJKSA-N 0 0 442.515 6.423 40 0 IKABRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000032112019 556530890 /nfs/dbraw/zinc/53/08/90/556530890.db2.gz NVFGSOCHIHTBAJ-UHFFFAOYSA-N 0 0 441.940 5.321 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000032111974 556530896 /nfs/dbraw/zinc/53/08/96/556530896.db2.gz BYCJZJGDMQCAPG-UHFFFAOYSA-N 0 0 443.528 5.429 40 0 IKABRN CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000032111993 556530899 /nfs/dbraw/zinc/53/08/99/556530899.db2.gz JIOKPNURNPOMAB-UHFFFAOYSA-N 0 0 428.488 5.573 40 0 IKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000032114533 556530901 /nfs/dbraw/zinc/53/09/01/556530901.db2.gz IIHNSWRZAMQNSV-UHFFFAOYSA-N 0 0 428.488 5.628 40 0 IKABRN Cc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000032111996 556530906 /nfs/dbraw/zinc/53/09/06/556530906.db2.gz CULOMHWSQMTJBE-UHFFFAOYSA-N 0 0 443.528 5.429 40 0 IKABRN Cc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114648 556531215 /nfs/dbraw/zinc/53/12/15/556531215.db2.gz NLUIHXIZBSOEDF-UHFFFAOYSA-N 0 0 434.879 5.664 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115236 556531527 /nfs/dbraw/zinc/53/15/27/556531527.db2.gz UHZVMJAKLYBQHN-FPYGCLRLSA-N 0 0 445.252 6.732 40 0 IKABRN CCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000032115217 556531538 /nfs/dbraw/zinc/53/15/38/556531538.db2.gz MYYGONAPOGLODI-UHFFFAOYSA-N 0 0 428.822 6.077 40 0 IKABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000032116380 556532090 /nfs/dbraw/zinc/53/20/90/556532090.db2.gz ZWHMAOJJRJSKRJ-UHFFFAOYSA-N 0 0 445.544 5.637 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1C ZINC000032116551 556532458 /nfs/dbraw/zinc/53/24/58/556532458.db2.gz LDCKGIMEVKGTCH-UHFFFAOYSA-N 0 0 429.545 5.855 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)cc1C ZINC000032116571 556532488 /nfs/dbraw/zinc/53/24/88/556532488.db2.gz QDMAFABJKJRAPA-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000032124616 556533405 /nfs/dbraw/zinc/53/34/05/556533405.db2.gz WNOKYADLHMBAED-UHFFFAOYSA-N 0 0 443.286 5.041 40 0 IKABRN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(Br)cc1F ZINC000032124604 556533490 /nfs/dbraw/zinc/53/34/90/556533490.db2.gz RDKGHXPYSBKZIP-UHFFFAOYSA-N 0 0 443.272 5.127 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCc3ccccc3C2)cc1Cl ZINC000013609662 556534350 /nfs/dbraw/zinc/53/43/50/556534350.db2.gz WVKPZCLOTAUBBA-UHFFFAOYSA-N 0 0 444.918 5.036 40 0 IKABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000032126390 556535480 /nfs/dbraw/zinc/53/54/80/556535480.db2.gz RHUBOAAEYYUTIA-DTQAZKPQSA-N 0 0 449.535 6.174 40 0 IKABRN CCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1Cl ZINC000032126683 556535739 /nfs/dbraw/zinc/53/57/39/556535739.db2.gz RJPSLDWCYBTRJV-UHFFFAOYSA-N 0 0 442.902 6.952 40 0 IKABRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1cccc(OCc2ccccc2)c1 ZINC000032126693 556535826 /nfs/dbraw/zinc/53/58/26/556535826.db2.gz BECHKHRTQVQMNZ-UHFFFAOYSA-N 0 0 429.328 6.434 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1 ZINC000032127045 556535997 /nfs/dbraw/zinc/53/59/97/556535997.db2.gz UGAULZVNVWBAMG-UHFFFAOYSA-N 0 0 436.511 6.789 40 0 IKABRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)oc2c1 ZINC000032127005 556536014 /nfs/dbraw/zinc/53/60/14/556536014.db2.gz LSJGPRAFADNUTH-UHFFFAOYSA-N 0 0 430.247 5.605 40 0 IKABRN COc1ccc(-c2noc(CCC(=O)Nc3ccccc3Oc3ccccc3)n2)cc1OC ZINC000015585029 556536159 /nfs/dbraw/zinc/53/61/59/556536159.db2.gz JMZWLZWVTCOFND-UHFFFAOYSA-N 0 0 445.475 5.117 40 0 IKABRN O=C(COc1ccc2ccccc2c1)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000032127404 556536379 /nfs/dbraw/zinc/53/63/79/556536379.db2.gz NLJYJWOJSZGJFA-UHFFFAOYSA-N 0 0 444.490 6.819 40 0 IKABRN O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc(F)cc1 ZINC000032127978 556536784 /nfs/dbraw/zinc/53/67/84/556536784.db2.gz LPGOVKANOMATFK-UHFFFAOYSA-N 0 0 441.487 5.914 40 0 IKABRN O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408937391 556537396 /nfs/dbraw/zinc/53/73/96/556537396.db2.gz QNXQROZSKRDGHH-WQRHYEAKSA-N 0 0 445.327 5.831 40 0 IKABRN CCCCOc1ccc([C@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)cc1 ZINC000013634739 556540578 /nfs/dbraw/zinc/54/05/78/556540578.db2.gz JNRGDUHTRCCVDK-DEOSSOPVSA-N 0 0 433.552 5.847 40 0 IKABRN Cc1nn2c(nnc(C(=O)Nc3ccccc3Cl)c2C)c1-c1cccc2ccccc21 ZINC000013635689 556541217 /nfs/dbraw/zinc/54/12/17/556541217.db2.gz CXZJLCGNRSIQRC-UHFFFAOYSA-N 0 0 427.895 5.467 40 0 IKABRN COCc1nn2c(ncc3c2C[C@H](c2ccccc2OC)CC3=O)c1-c1cccc(Cl)c1 ZINC000013638380 556542002 /nfs/dbraw/zinc/54/20/02/556542002.db2.gz JIYZOZGVDYJSEE-INIZCTEOSA-N 0 0 447.922 5.117 40 0 IKABRN O=C(CSc1nc(-c2ccccc2)cn1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000013640502 556542125 /nfs/dbraw/zinc/54/21/25/556542125.db2.gz HHPLCDGMEGGLLP-UHFFFAOYSA-N 0 0 443.616 5.716 40 0 IKABRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)SC2=Cc2ccccc2)cc1 ZINC000032594730 556542121 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CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000408975069 556615675 /nfs/dbraw/zinc/61/56/75/556615675.db2.gz JNYYPGXHEQILMA-UHFFFAOYSA-N 0 0 435.549 5.042 40 0 IKABRN Cc1ccccc1[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 ZINC000038752229 556615814 /nfs/dbraw/zinc/61/58/14/556615814.db2.gz YYKZFPMSYHELJM-QHCPKHFHSA-N 0 0 440.406 5.897 40 0 IKABRN COc1ccc(S(=O)(=O)N=S=c2cc(-c3ccc(C(C)C)cc3)ss2)cc1 ZINC000016575958 556616141 /nfs/dbraw/zinc/61/61/41/556616141.db2.gz KNEGLZHLUOGGOT-UHFFFAOYSA-N 0 0 437.633 5.796 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 ZINC000038752872 556616172 /nfs/dbraw/zinc/61/61/72/556616172.db2.gz SVAPRTDVMQJYNA-UHFFFAOYSA-N 0 0 433.551 7.134 40 0 IKABRN C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2nc1-c1ccccc1 ZINC000016576355 556616209 /nfs/dbraw/zinc/61/62/09/556616209.db2.gz NRYQQHUDNIYIOS-IBGZPJMESA-N 0 0 427.573 5.526 40 0 IKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000038752943 556616259 /nfs/dbraw/zinc/61/62/59/556616259.db2.gz DNUKVMFADBIQLL-UHFFFAOYSA-N 0 0 439.559 5.128 40 0 IKABRN C[C@@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1Cl ZINC000016577324 556616309 /nfs/dbraw/zinc/61/63/09/556616309.db2.gz IFSQQFNRMGQSIP-LEWJYISDSA-N 0 0 434.761 5.664 40 0 IKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000038754054 556616783 /nfs/dbraw/zinc/61/67/83/556616783.db2.gz QPPWZAPARASNCH-VWLOTQADSA-N 0 0 430.548 5.652 40 0 IKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000038754120 556616990 /nfs/dbraw/zinc/61/69/90/556616990.db2.gz KKNKBPXHNLLNAF-RUZDIDTESA-N 0 0 443.587 6.628 40 0 IKABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000038754656 556617007 /nfs/dbraw/zinc/61/70/07/556617007.db2.gz HJLLNGKIMUECMU-UHFFFAOYSA-N 0 0 431.923 5.343 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2C)cc1 ZINC000038754939 556617310 /nfs/dbraw/zinc/61/73/10/556617310.db2.gz ISDUKMCVLKZWJN-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN C[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C(=O)Nc1cccc2ccccc21 ZINC000016609589 556617305 /nfs/dbraw/zinc/61/73/05/556617305.db2.gz VATSMXRAUCMQGX-IBGZPJMESA-N 0 0 438.531 5.763 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@@H](C)c3ccc(F)cc3)c2)cc1 ZINC000038755172 556617491 /nfs/dbraw/zinc/61/74/91/556617491.db2.gz DPONEJHGORCLHV-HNNXBMFYSA-N 0 0 446.931 5.079 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 ZINC000016610703 556617545 /nfs/dbraw/zinc/61/75/45/556617545.db2.gz UMNWSBUWEUPWLP-KRWDZBQOSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000038755415 556617610 /nfs/dbraw/zinc/61/76/10/556617610.db2.gz VTHSQHJLZMMSEG-DEOSSOPVSA-N 0 0 448.994 5.431 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cc(NC(=O)COc4ccccc4C)ccc3Cl)nc2c1 ZINC000016610585 556617627 /nfs/dbraw/zinc/61/76/27/556617627.db2.gz MWPISIPTLPTHJY-MRXNPFEDSA-N 0 0 448.950 6.988 40 0 IKABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1)c1ccccc1 ZINC000038755909 556617823 /nfs/dbraw/zinc/61/78/23/556617823.db2.gz HJLYMTIXRGYAFC-QHCPKHFHSA-N 0 0 436.577 5.294 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1)c1ccccc1 ZINC000038755911 556617837 /nfs/dbraw/zinc/61/78/37/556617837.db2.gz HJLYMTIXRGYAFC-HSZRJFAPSA-N 0 0 436.577 5.294 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nc2c1 ZINC000016610845 556617838 /nfs/dbraw/zinc/61/78/38/556617838.db2.gz DQEUDPNEVHMJFZ-HXUWFJFHSA-N 0 0 446.550 7.928 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nc2c1 ZINC000016610752 556617881 /nfs/dbraw/zinc/61/78/81/556617881.db2.gz JJQCNXWMFNQMOQ-INIZCTEOSA-N 0 0 434.923 6.679 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(F)cc4)c3)nc2c1 ZINC000016611134 556618077 /nfs/dbraw/zinc/61/80/77/556618077.db2.gz PWSIGKMORHCQAY-HNNXBMFYSA-N 0 0 447.535 6.274 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4Br)c3)nc2c1 ZINC000016610913 556618081 /nfs/dbraw/zinc/61/80/81/556618081.db2.gz ZEDMHBFFLXTXHS-OAHLLOKOSA-N 0 0 449.348 7.023 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccccc1 ZINC000038756724 556618270 /nfs/dbraw/zinc/61/82/70/556618270.db2.gz LCZOCMVTIRKWTK-JOCHJYFZSA-N 0 0 442.968 5.330 40 0 IKABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccccc1 ZINC000038756722 556618295 /nfs/dbraw/zinc/61/82/95/556618295.db2.gz LCZOCMVTIRKWTK-QFIPXVFZSA-N 0 0 442.968 5.330 40 0 IKABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000038771242 556618891 /nfs/dbraw/zinc/61/88/91/556618891.db2.gz XMSUCABHXZXKAV-KRWDZBQOSA-N 0 0 432.800 5.854 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2Cl)cc1 ZINC000038771912 556619213 /nfs/dbraw/zinc/61/92/13/556619213.db2.gz SMQFHRZATVFNFZ-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN CCCCCC(C)(CCCCC)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000016637837 556619248 /nfs/dbraw/zinc/61/92/48/556619248.db2.gz VLXYCZJDBBSZND-UHFFFAOYSA-N 0 0 436.633 5.926 40 0 IKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000038772090 556619275 /nfs/dbraw/zinc/61/92/75/556619275.db2.gz WZSMYSMNBCDTFQ-UHFFFAOYSA-N 0 0 439.295 5.186 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1 ZINC000016639225 556619790 /nfs/dbraw/zinc/61/97/90/556619790.db2.gz UCLMTFNRADYAMV-UHFFFAOYSA-N 0 0 438.886 6.719 40 0 IKABRN Cc1c(C(=O)Nc2ccccc2Cl)cnc2c(-c3ccc(Br)cc3)cnn21 ZINC000038829615 556621077 /nfs/dbraw/zinc/62/10/77/556621077.db2.gz LVOYRJHGSBDZIR-UHFFFAOYSA-N 0 0 441.716 5.373 40 0 IKABRN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cnc2c(-c3ccccc3)cnn21 ZINC000038829583 556621090 /nfs/dbraw/zinc/62/10/90/556621090.db2.gz YUWHGMJNINDFBR-UHFFFAOYSA-N 0 0 430.817 5.629 40 0 IKABRN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038833998 556622535 /nfs/dbraw/zinc/62/25/35/556622535.db2.gz PBZMDRUUSVYHGT-ZDUSSCGKSA-N 0 0 442.184 5.607 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834469 556622541 /nfs/dbraw/zinc/62/25/41/556622541.db2.gz SVXCTLFHFKWIRG-INIZCTEOSA-N 0 0 435.351 5.021 40 0 IKABRN CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038834600 556622839 /nfs/dbraw/zinc/62/28/39/556622839.db2.gz YUIHMQXTUAMKGH-UHFFFAOYSA-N 0 0 435.351 5.021 40 0 IKABRN CCN(CC)c1ccc(CC2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)cc1 ZINC000016678529 556623246 /nfs/dbraw/zinc/62/32/46/556623246.db2.gz DGRBUQQJIBDYOE-UHFFFAOYSA-N 0 0 438.786 6.284 40 0 IKABRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038848665 556623781 /nfs/dbraw/zinc/62/37/81/556623781.db2.gz QRQURINVVFGOJW-UHFFFAOYSA-N 0 0 446.205 5.829 40 0 IKABRN COc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038850224 556624427 /nfs/dbraw/zinc/62/44/27/556624427.db2.gz UTAZOIGSWBWAMA-ZDUSSCGKSA-N 0 0 427.759 5.506 40 0 IKABRN COc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1Cl ZINC000038850237 556624534 /nfs/dbraw/zinc/62/45/34/556624534.db2.gz FAERRXMOOHFHMH-UHFFFAOYSA-N 0 0 427.759 5.506 40 0 IKABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038853472 556625391 /nfs/dbraw/zinc/62/53/91/556625391.db2.gz LKRYCEBBKKRKQB-UHFFFAOYSA-N 0 0 425.729 5.092 40 0 IKABRN CCCCCC[C@H](C)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC ZINC000408975980 556625626 /nfs/dbraw/zinc/62/56/26/556625626.db2.gz OFWDWHJBJGBDKX-HEQHKCQXSA-N 0 0 436.577 5.203 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038860412 556626018 /nfs/dbraw/zinc/62/60/18/556626018.db2.gz NTVFVNZGVRAKBS-UHFFFAOYSA-N 0 0 431.285 5.863 40 0 IKABRN CCOP(=O)(OCC)c1cc2c(nc1SCc1nc3ccccc3[nH]1)CCCCC2 ZINC000016688038 556626044 /nfs/dbraw/zinc/62/60/44/556626044.db2.gz IVHUISVGDHNZHA-UHFFFAOYSA-N 0 0 445.525 5.411 40 0 IKABRN COc1ccc(N(C)C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 ZINC000408975991 556626364 /nfs/dbraw/zinc/62/63/64/556626364.db2.gz DICAEULFUJAMHZ-UHFFFAOYSA-N 0 0 425.444 5.435 40 0 IKABRN CC1CCN(C(=S)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)CC1 ZINC000408975989 556626465 /nfs/dbraw/zinc/62/64/65/556626465.db2.gz DHZOQUCKJNEFHD-UHFFFAOYSA-N 0 0 440.576 5.183 40 0 IKABRN CCOc1ccc(C(=O)Nc2nnc(SCc3cccc(Cl)c3)s2)cc1OCC ZINC000039723967 556629754 /nfs/dbraw/zinc/62/97/54/556629754.db2.gz CZSZBFLQXTXWRO-UHFFFAOYSA-N 0 0 449.985 5.534 40 0 IKABRN CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000039723964 556629861 /nfs/dbraw/zinc/62/98/61/556629861.db2.gz WYRKQOSNVPWNJJ-UHFFFAOYSA-N 0 0 449.985 5.534 40 0 IKABRN CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000039723965 556629872 /nfs/dbraw/zinc/62/98/72/556629872.db2.gz VLJXZUVFYNZIAF-UHFFFAOYSA-N 0 0 449.985 5.534 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000039723891 556629878 /nfs/dbraw/zinc/62/98/78/556629878.db2.gz VRIDJUHVZUDRGL-UHFFFAOYSA-N 0 0 426.350 5.398 40 0 IKABRN Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2-c2cccc(C)c2)c1 ZINC000016711460 556630039 /nfs/dbraw/zinc/63/00/39/556630039.db2.gz OPOHFDAJXGDFNL-RWEWTDSWSA-N 0 0 425.384 7.362 40 0 IKABRN CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000408977397 556630110 /nfs/dbraw/zinc/63/01/10/556630110.db2.gz IRICNNOXQDGTJJ-UHFFFAOYSA-N 0 0 439.563 5.698 40 0 IKABRN CCc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n21 ZINC000039964000 556630999 /nfs/dbraw/zinc/63/09/99/556630999.db2.gz YLHSKGQWJLPHHJ-XMMPIXPASA-N 0 0 438.531 5.024 40 0 IKABRN CCN(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985284 556631652 /nfs/dbraw/zinc/63/16/52/556631652.db2.gz ZAFMYBUIGOHILH-UHFFFAOYSA-N 0 0 443.396 5.075 40 0 IKABRN CN(C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)c1ccc2ccccc2c1 ZINC000408978153 556633552 /nfs/dbraw/zinc/63/35/52/556633552.db2.gz KVFIEAKARJTKPC-UHFFFAOYSA-N 0 0 443.510 6.050 40 0 IKABRN Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2cccc(C)c2Cl)c2ccccc2)cc1 ZINC000408978616 556633687 /nfs/dbraw/zinc/63/36/87/556633687.db2.gz JKPLDLUGARHQAK-OAQYLSRUSA-N 0 0 442.968 5.005 40 0 IKABRN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc(Br)cc2)cc1 ZINC000016740588 556634610 /nfs/dbraw/zinc/63/46/10/556634610.db2.gz XUOCLBJLWCDMFO-IBGZPJMESA-N 0 0 447.420 7.197 40 0 IKABRN Cc1ccc(-c2ccc(/C=C3\SC(=N)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1Cl ZINC000408978907 556635146 /nfs/dbraw/zinc/63/51/46/556635146.db2.gz OMGSKFXVHHOQHH-LARPDJSXSA-N 0 0 438.892 5.693 40 0 IKABRN COc1cccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)c1 ZINC000040385087 556635733 /nfs/dbraw/zinc/63/57/33/556635733.db2.gz VPAGAOCBWNTXEV-UHFFFAOYSA-N 0 0 435.915 5.137 40 0 IKABRN CCc1nn2c(nnc3c2ccn([C@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395910 556638432 /nfs/dbraw/zinc/63/84/32/556638432.db2.gz JEKXOKWIBQTQDH-VCBZYWHSSA-N 0 0 435.959 5.319 40 0 IKABRN Fc1cccc(Cl)c1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757613 556639556 /nfs/dbraw/zinc/63/95/56/556639556.db2.gz ZLKFODWIRFHPAH-UHFFFAOYSA-N 0 0 445.950 7.172 40 0 IKABRN CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)C(=O)OC ZINC000016757773 556639573 /nfs/dbraw/zinc/63/95/73/556639573.db2.gz GOPSBTPMLPIPHA-IBGZPJMESA-N 0 0 437.952 5.785 40 0 IKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3SCC(=O)c2ccccc2)c1 ZINC000016757726 556639596 /nfs/dbraw/zinc/63/95/96/556639596.db2.gz FGTITANCBLZVAV-UHFFFAOYSA-N 0 0 435.552 6.371 40 0 IKABRN Clc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757546 556639619 /nfs/dbraw/zinc/63/96/19/556639619.db2.gz COVWZVUYVKPWBO-UHFFFAOYSA-N 0 0 427.960 7.033 40 0 IKABRN COCc1nn2c(ncc3c2ccn(CCC2=CCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397784 556639686 /nfs/dbraw/zinc/63/96/86/556639686.db2.gz RBGAIOBWHCQCKB-UHFFFAOYSA-N 0 0 448.954 5.402 40 0 IKABRN COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758032 556639792 /nfs/dbraw/zinc/63/97/92/556639792.db2.gz XZRSHTYDGYAYJM-OAHLLOKOSA-N 0 0 437.952 5.703 40 0 IKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397465 556639743 /nfs/dbraw/zinc/63/97/43/556639743.db2.gz QOGRGOCYMYDUNM-VWKPWSFCSA-N 0 0 434.971 5.924 40 0 IKABRN CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758093 556639858 /nfs/dbraw/zinc/63/98/58/556639858.db2.gz BGBJCKCJPQQTCS-UHFFFAOYSA-N 0 0 437.952 5.705 40 0 IKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(Cc2ccccc2)C(C)C)cc1 ZINC000016768322 556640173 /nfs/dbraw/zinc/64/01/73/556640173.db2.gz HVUYPEUESYIIQS-UHFFFAOYSA-N 0 0 432.571 6.811 40 0 IKABRN CCOc1ccccc1CN(C(=O)Nc1cccc(Cl)c1)c1nnc2n1CCCCC2 ZINC000016769819 556640390 /nfs/dbraw/zinc/64/03/90/556640390.db2.gz QXGIRZJOIIIKRJ-UHFFFAOYSA-N 0 0 439.947 5.295 40 0 IKABRN CC(=O)c1ccc(NC(=O)CCCSc2nc3c(c(C(F)(F)F)n2)CCCC3)cc1 ZINC000016778556 556640691 /nfs/dbraw/zinc/64/06/91/556640691.db2.gz NDVUTWOFSCVCSU-UHFFFAOYSA-N 0 0 437.487 5.088 40 0 IKABRN c1csc(-c2csc(Cc3ccc(Cc4nc(-c5cccs5)cs4)o3)n2)c1 ZINC000016778613 556640701 /nfs/dbraw/zinc/64/07/01/556640701.db2.gz VTFFJGDYTBWILT-UHFFFAOYSA-N 0 0 426.613 6.831 40 0 IKABRN c1csc(-c2csc(Cc3ccc(Cc4nc(-c5cccs5)cs4)s3)n2)c1 ZINC000016778632 556640724 /nfs/dbraw/zinc/64/07/24/556640724.db2.gz WZQHXRWTLRYYCF-UHFFFAOYSA-N 0 0 442.681 7.300 40 0 IKABRN Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@H](Sc2ccccc2)CS1 ZINC000016779186 556641070 /nfs/dbraw/zinc/64/10/70/556641070.db2.gz FPHWAICXXZYOFX-QUCCMNQESA-N 0 0 436.627 5.931 40 0 IKABRN Cc1ccc(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)cc1Cl ZINC000016780231 556641398 /nfs/dbraw/zinc/64/13/98/556641398.db2.gz NXCQBJTYGLKDLI-UHFFFAOYSA-N 0 0 435.980 6.193 40 0 IKABRN COc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000016788955 556641902 /nfs/dbraw/zinc/64/19/02/556641902.db2.gz OOEUIFWPWTUIBX-UHFFFAOYSA-N 0 0 449.963 5.880 40 0 IKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 ZINC000016788793 556641914 /nfs/dbraw/zinc/64/19/14/556641914.db2.gz PLGBRUSXCPLHAP-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2cccc(C)c2)cc1 ZINC000016788953 556641923 /nfs/dbraw/zinc/64/19/23/556641923.db2.gz JZUIUEXAYFTNJS-UHFFFAOYSA-N 0 0 442.588 5.899 40 0 IKABRN Cc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2Cc2ccco2)cc1 ZINC000016788779 556641977 /nfs/dbraw/zinc/64/19/77/556641977.db2.gz QFRXXTNTVSICMO-UHFFFAOYSA-N 0 0 440.366 5.950 40 0 IKABRN COc1ccccc1C(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC000016789199 556642194 /nfs/dbraw/zinc/64/21/94/556642194.db2.gz FXQMIUDZTGMDMR-UHFFFAOYSA-N 0 0 439.924 5.223 40 0 IKABRN COc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2cccc(OC)c2)cc1 ZINC000016789134 556642204 /nfs/dbraw/zinc/64/22/04/556642204.db2.gz GFOXYMCNOPRFKB-UHFFFAOYSA-N 0 0 439.487 5.522 40 0 IKABRN COc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccccn2)cc1 ZINC000016789541 556642474 /nfs/dbraw/zinc/64/24/74/556642474.db2.gz PGZKYRFAPYXCKY-UHFFFAOYSA-N 0 0 443.359 5.937 40 0 IKABRN Cc1ccc(OCc2nnc(SCc3c(F)cccc3F)n2-c2ccc(C)cc2)cc1 ZINC000016789376 556642475 /nfs/dbraw/zinc/64/24/75/556642475.db2.gz YGPBYDITBOVSBB-UHFFFAOYSA-N 0 0 437.515 6.034 40 0 IKABRN Cc1sc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)nc1-c1ccccc1 ZINC000408979020 556644035 /nfs/dbraw/zinc/64/40/35/556644035.db2.gz KVACTXCMDGPVLK-QFIPXVFZSA-N 0 0 441.556 5.618 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(C)=O)c(C)n3-c2ccc(C)cc2)cc1 ZINC000016807619 556644444 /nfs/dbraw/zinc/64/44/44/556644444.db2.gz CULJRIWTZHNXNN-UHFFFAOYSA-N 0 0 448.544 5.259 40 0 IKABRN COc1ccccc1Nc1nc(-c2sc(NC(=O)C[C@H]3CCCCO3)nc2C)cs1 ZINC000040556489 556644684 /nfs/dbraw/zinc/64/46/84/556644684.db2.gz DRBSJFNCVFSEGI-CQSZACIVSA-N 0 0 444.582 5.225 40 0 IKABRN CC(C)(C)c1ccc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccccc2)cc1 ZINC000016807904 556644710 /nfs/dbraw/zinc/64/47/10/556644710.db2.gz JZFZGGDAOPJOFA-UHFFFAOYSA-N 0 0 435.543 6.802 40 0 IKABRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2c(C)cccc2C(C)C)n1 ZINC000040556435 556644738 /nfs/dbraw/zinc/64/47/38/556644738.db2.gz YFVYOVYOPLYIEJ-UHFFFAOYSA-N 0 0 428.627 6.735 40 0 IKABRN CC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)c4cccs4)nc3C)cs2)c1 ZINC000040556497 556644753 /nfs/dbraw/zinc/64/47/53/556644753.db2.gz JPRDGEFYNGTLCN-UHFFFAOYSA-N 0 0 440.575 5.835 40 0 IKABRN Cc1cccc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccc(Cl)cc2)c1 ZINC000016807870 556644803 /nfs/dbraw/zinc/64/48/03/556644803.db2.gz IFEQPCULSAQOAY-UHFFFAOYSA-N 0 0 427.907 6.467 40 0 IKABRN CC(C)C[C@H](C)OC(=O)/C=C(\CC(=O)O[C@@H](C)CC(C)C)C(=O)O[C@@H](C)CC(C)C ZINC000016891625 556648131 /nfs/dbraw/zinc/64/81/31/556648131.db2.gz PKLUSOSWJPKLAL-QFQDSRDKSA-N 0 0 426.594 5.236 40 0 IKABRN CCCCCC[C@@H](C/C=C/CCCCCCCC(=O)OC[C@@H](C)OC(C)=O)OC(C)=O ZINC000016891754 556648275 /nfs/dbraw/zinc/64/82/75/556648275.db2.gz GXLLXKLCZRBGPM-CKNRVKLLSA-N 0 0 440.621 6.060 40 0 IKABRN CC(=O)C[C@@H](SCCSCCS[C@@H](CC(C)=O)c1ccccc1)c1ccccc1 ZINC000016890793 556648278 /nfs/dbraw/zinc/64/82/78/556648278.db2.gz AOKADWHXGUNZMD-PSWAGMNNSA-N 0 0 446.703 6.627 40 0 IKABRN CC(C)C[C@@H](C)OC(=O)CC(CC(=O)O[C@@H](C)CC(C)C)C(=O)O[C@@H](C)CC(C)C ZINC000016891641 556648291 /nfs/dbraw/zinc/64/82/91/556648291.db2.gz XBNWCMUBZMWBGY-HWPVKAJDSA-N 0 0 428.610 5.316 40 0 IKABRN CC[C@H](C)c1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000016903831 556649027 /nfs/dbraw/zinc/64/90/27/556649027.db2.gz QCXHBKVNFXHHIS-NRFANRHFSA-N 0 0 447.623 5.868 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000040942708 556651964 /nfs/dbraw/zinc/65/19/64/556651964.db2.gz HQXNSJIZVCPDQN-UHFFFAOYSA-N 0 0 448.357 5.547 40 0 IKABRN CC(C)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(Br)c1 ZINC000040942901 556652082 /nfs/dbraw/zinc/65/20/82/556652082.db2.gz JVZNXLJYSXEOMS-UHFFFAOYSA-N 0 0 438.365 5.857 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccccc2Br)c(Br)c1 ZINC000040944317 556652294 /nfs/dbraw/zinc/65/22/94/556652294.db2.gz ZVJNHFJBJAITLO-UHFFFAOYSA-N 0 0 427.136 5.353 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c(Br)c1 ZINC000040943938 556652384 /nfs/dbraw/zinc/65/23/84/556652384.db2.gz OQCAMMYOMPAGTM-UHFFFAOYSA-N 0 0 431.374 5.580 40 0 IKABRN CC1(C)CC(=O)c2c(nc3c(c2-c2ccc(Br)cc2)[C@H](O)c2ccccc2-3)C1 ZINC000408980169 556652667 /nfs/dbraw/zinc/65/26/67/556652667.db2.gz DZKZASDUSDVSSV-HSZRJFAPSA-N 0 0 434.333 5.728 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000017086200 556657443 /nfs/dbraw/zinc/65/74/43/556657443.db2.gz HUCVOIHLCXYNBV-HYARGMPZSA-N 0 0 431.463 5.456 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OCc1cccc(C)c1 ZINC000017086197 556657526 /nfs/dbraw/zinc/65/75/26/556657526.db2.gz QOAJPNZCVSGUDC-HYARGMPZSA-N 0 0 447.918 5.971 40 0 IKABRN O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc(Br)c1 ZINC000017095109 556658375 /nfs/dbraw/zinc/65/83/75/556658375.db2.gz QGROAWDHKUAINI-UHFFFAOYSA-N 0 0 426.701 5.898 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)c1 ZINC000017097844 556662352 /nfs/dbraw/zinc/66/23/52/556662352.db2.gz NEDWPDRFDHIRRB-UHFFFAOYSA-N 0 0 432.348 6.059 40 0 IKABRN Cc1ccccc1C(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 ZINC000017098531 556663242 /nfs/dbraw/zinc/66/32/42/556663242.db2.gz MGSVQDYWYVTEBE-UHFFFAOYSA-N 0 0 433.558 5.413 40 0 IKABRN COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000017100827 556665644 /nfs/dbraw/zinc/66/56/44/556665644.db2.gz DCACINULBYVLCG-UHFFFAOYSA-N 0 0 436.895 6.035 40 0 IKABRN COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1Cl ZINC000017100836 556665931 /nfs/dbraw/zinc/66/59/31/556665931.db2.gz DFZVPUFGQODDFE-UHFFFAOYSA-N 0 0 436.895 6.035 40 0 IKABRN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000017102756 556666894 /nfs/dbraw/zinc/66/68/94/556666894.db2.gz FEXUDBDOFWUFSY-UHFFFAOYSA-N 0 0 438.739 6.096 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)c4c(OC)cccc4OC)ccc3o2)cc1Cl ZINC000017102780 556667029 /nfs/dbraw/zinc/66/70/29/556667029.db2.gz USAJOIQCXLYCAW-UHFFFAOYSA-N 0 0 438.867 5.426 40 0 IKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 ZINC000017103164 556667162 /nfs/dbraw/zinc/66/71/62/556667162.db2.gz QGCCYIMNEKAESR-UHFFFAOYSA-N 0 0 439.346 6.322 40 0 IKABRN Clc1ccc(OCC[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000017108793 556667557 /nfs/dbraw/zinc/66/75/57/556667557.db2.gz YLMDZEPSHJDDIY-ZDUSSCGKSA-N 0 0 430.162 6.750 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000044838802 556668106 /nfs/dbraw/zinc/66/81/06/556668106.db2.gz NKBZQXGUNNXWOK-SANMLTNESA-N 0 0 428.576 5.775 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000044842245 556668529 /nfs/dbraw/zinc/66/85/29/556668529.db2.gz OYDPZRIUGSDAGI-UHFFFAOYSA-N 0 0 432.372 6.444 40 0 IKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000044841895 556668560 /nfs/dbraw/zinc/66/85/60/556668560.db2.gz AJFGGLPQLOUPQC-RUZDIDTESA-N 0 0 427.569 6.928 40 0 IKABRN CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000044844402 556669072 /nfs/dbraw/zinc/66/90/72/556669072.db2.gz GXCWPAROYRQGDJ-UHFFFAOYSA-N 0 0 425.381 5.251 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2Cl)cc1 ZINC000044848000 556669958 /nfs/dbraw/zinc/66/99/58/556669958.db2.gz XAGLLGWILKBYKS-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1cc(C)c(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 ZINC000044849152 556670158 /nfs/dbraw/zinc/67/01/58/556670158.db2.gz VYBFFGLHLZVRGW-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044852875 556671095 /nfs/dbraw/zinc/67/10/95/556671095.db2.gz ACYRJLSYCCFQJS-QGZVFWFLSA-N 0 0 435.395 5.098 40 0 IKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000044854571 556671302 /nfs/dbraw/zinc/67/13/02/556671302.db2.gz OBCDZFHKQVQPLF-UHFFFAOYSA-N 0 0 433.895 5.638 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000044855397 556671589 /nfs/dbraw/zinc/67/15/89/556671589.db2.gz NQMQUTISTNBXFG-QFIPXVFZSA-N 0 0 444.978 5.418 40 0 IKABRN O=C(N/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2s1)c1ccccc1 ZINC000017176599 556671693 /nfs/dbraw/zinc/67/16/93/556671693.db2.gz RGEMVGXMGBLKBI-UNOMPAQXSA-N 0 0 425.340 6.531 40 0 IKABRN COc1ccc(/C=C/C[C@@H]2Cc3cc4c(cc3O[C@@H]2c2ccc(OC)cc2)OCO4)cc1 ZINC000017175606 556671788 /nfs/dbraw/zinc/67/17/88/556671788.db2.gz XJCYHVVLLSSJHZ-SNQHBFAKSA-N 0 0 430.500 5.828 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C ZINC000044856368 556672256 /nfs/dbraw/zinc/67/22/56/556672256.db2.gz HFFPZBZKLBLUQN-SFHVURJKSA-N 0 0 429.402 5.155 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)cc2C)cc1 ZINC000044883331 556674421 /nfs/dbraw/zinc/67/44/21/556674421.db2.gz PTFLPJOSVGMDPT-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN Cc1cc(-c2ccc(NC(=O)N3[C@@H](C)C3(C)C)c(C)c2)ccc1NC(=O)N1[C@H](C)C1(C)C ZINC000017313724 556675279 /nfs/dbraw/zinc/67/52/79/556675279.db2.gz KQVRLJDZJABHCL-MPKZNSERSA-N 0 0 434.584 6.000 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)c2)cc1 ZINC000044885016 556675312 /nfs/dbraw/zinc/67/53/12/556675312.db2.gz GBEDQMSMFHLJRP-NHFJDJAPSA-N 0 0 449.550 6.987 40 0 IKABRN O=C(Nc1ccc(Br)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000044885547 556675349 /nfs/dbraw/zinc/67/53/49/556675349.db2.gz JOOUVZMTZQIVKQ-UHFFFAOYSA-N 0 0 428.351 5.873 40 0 IKABRN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044900123 556676940 /nfs/dbraw/zinc/67/69/40/556676940.db2.gz OZVNKZJSSGTDCC-UHFFFAOYSA-N 0 0 425.359 5.876 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3ccc(Cl)cc3)c2)cc1 ZINC000044900263 556677159 /nfs/dbraw/zinc/67/71/59/556677159.db2.gz XGCLOUIQPRZMHB-UHFFFAOYSA-N 0 0 441.980 5.810 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000044900491 556677399 /nfs/dbraw/zinc/67/73/99/556677399.db2.gz VAJCNCONDHDDIL-XMMPIXPASA-N 0 0 425.550 5.553 40 0 IKABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000044900489 556677510 /nfs/dbraw/zinc/67/75/10/556677510.db2.gz VAJCNCONDHDDIL-DEOSSOPVSA-N 0 0 425.550 5.553 40 0 IKABRN CCOc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1OC ZINC000044901577 556678073 /nfs/dbraw/zinc/67/80/73/556678073.db2.gz WQBWZIZXDSTRFO-UHFFFAOYSA-N 0 0 444.575 5.019 40 0 IKABRN CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044911888 556680905 /nfs/dbraw/zinc/68/09/05/556680905.db2.gz IYBQSQVRNCGORW-UHFFFAOYSA-N 0 0 449.378 5.329 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044911478 556681015 /nfs/dbraw/zinc/68/10/15/556681015.db2.gz DXXLYZIICHKYNT-UHFFFAOYSA-N 0 0 435.351 5.021 40 0 IKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044915725 556681290 /nfs/dbraw/zinc/68/12/90/556681290.db2.gz KODHYWNCSJRGPG-OAQYLSRUSA-N 0 0 432.951 5.422 40 0 IKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000044915835 556681356 /nfs/dbraw/zinc/68/13/56/556681356.db2.gz UGPBZNGNGVMISR-UHFFFAOYSA-N 0 0 432.951 5.422 40 0 IKABRN CC1(C)C[C@@H](NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c2ccccc2O1 ZINC000044918450 556681978 /nfs/dbraw/zinc/68/19/78/556681978.db2.gz WLXHFVIZDZIZIA-OAQYLSRUSA-N 0 0 430.951 5.110 40 0 IKABRN CC1(C)C[C@H](NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c2ccccc2O1 ZINC000044918446 556681984 /nfs/dbraw/zinc/68/19/84/556681984.db2.gz WLXHFVIZDZIZIA-NRFANRHFSA-N 0 0 430.951 5.110 40 0 IKABRN CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044932223 556682075 /nfs/dbraw/zinc/68/20/75/556682075.db2.gz AFLRODVTVXBTLB-UHFFFAOYSA-N 0 0 435.395 5.309 40 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Cc1csc(NC(=O)CSc2nc3ccccc3n2Cc2c(F)cccc2Cl)n1 ZINC000001381406 556796990 /nfs/dbraw/zinc/79/69/90/556796990.db2.gz QTKDRMTYZHMBBZ-UHFFFAOYSA-N 0 0 446.960 5.373 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccc(F)cc1 ZINC000001382722 556797154 /nfs/dbraw/zinc/79/71/54/556797154.db2.gz XVKLQZWADYRMOM-JOCHJYFZSA-N 0 0 440.902 5.519 40 0 IKABRN COc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409106061 556797151 /nfs/dbraw/zinc/79/71/51/556797151.db2.gz LXEWWAZMFLAOBN-UHFFFAOYSA-N 0 0 437.952 5.767 40 0 IKABRN O=C(c1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cc4ccccc4s3)ccc12 ZINC000005410504 556797857 /nfs/dbraw/zinc/79/78/57/556797857.db2.gz UKEMLLZAGQHEBZ-QFBILLFUSA-N 0 0 444.531 5.129 40 0 biogenic,in-vitro IKABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O ZINC000409104626 556797821 /nfs/dbraw/zinc/79/78/21/556797821.db2.gz GBXYKOOKJORSHX-SITPEIFSSA-N 0 0 447.512 5.017 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccncc2)c1 ZINC000409105141 556797972 /nfs/dbraw/zinc/79/79/72/556797972.db2.gz GQORXURBZWHEST-UHFFFAOYSA-N 0 0 435.940 5.022 40 0 IKABRN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000002073963 556798468 /nfs/dbraw/zinc/79/84/68/556798468.db2.gz YSQGCFLTIXDYIS-LJQANCHMSA-N 0 0 428.561 5.670 40 0 IKABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)c1 ZINC000409107717 556798548 /nfs/dbraw/zinc/79/85/48/556798548.db2.gz SSPBYZYWTXXEJO-UHFFFAOYSA-N 0 0 428.561 5.590 40 0 IKABRN CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)C1=O ZINC000409107789 556798870 /nfs/dbraw/zinc/79/88/70/556798870.db2.gz QPDBRBWIOBGZRF-LICLKQGHSA-N 0 0 436.302 5.223 40 0 IKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000409106921 556799216 /nfs/dbraw/zinc/79/92/16/556799216.db2.gz PDROCHHNUBYAQT-WOJBJXKFSA-N 0 0 448.636 5.302 40 0 IKABRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCC)cc2OCC)c2ccccc21 ZINC000409109330 556799516 /nfs/dbraw/zinc/79/95/16/556799516.db2.gz BSZMSPLEFQJWLX-ATVHPVEESA-N 0 0 430.342 5.544 40 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/nfs/dbraw/zinc/80/15/10/556801510.db2.gz ZYORBXKMQYDQPI-JLPGSUDCSA-N 0 0 427.544 6.208 40 0 IKABRN CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409111135 556801569 /nfs/dbraw/zinc/80/15/69/556801569.db2.gz BCXCSXOZSMGVMS-UHFFFAOYSA-N 0 0 430.375 7.200 40 0 IKABRN COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl ZINC000409111236 556801802 /nfs/dbraw/zinc/80/18/02/556801802.db2.gz BNRIZOZUIYUMGL-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN CCOc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000409111259 556801818 /nfs/dbraw/zinc/80/18/18/556801818.db2.gz BBGLBLIQPZIVKW-UHFFFAOYSA-N 0 0 446.772 6.692 40 0 IKABRN CCOc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409111907 556801931 /nfs/dbraw/zinc/80/19/31/556801931.db2.gz DCCJGTUPIXQTAZ-UHFFFAOYSA-N 0 0 440.381 6.656 40 0 IKABRN Fc1cccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)c1 ZINC000409112052 556802329 /nfs/dbraw/zinc/80/23/29/556802329.db2.gz JVICJVNVKWQTGG-UHFFFAOYSA-N 0 0 433.910 7.463 40 0 IKABRN Cc1nc(-c2nc(N[C@H](C)c3ccccc3)ncc2-c2ccccc2F)sc1CCO ZINC000019560952 556802317 /nfs/dbraw/zinc/80/23/17/556802317.db2.gz UWMSWBWZQBKMHJ-OAHLLOKOSA-N 0 0 434.540 5.423 40 0 IKABRN COc1cccc(-c2nnc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)o2)c1 ZINC000014944260 556802373 /nfs/dbraw/zinc/80/23/73/556802373.db2.gz OHCWYOXDNWHRDA-UHFFFAOYSA-N 0 0 440.286 5.971 40 0 IKABRN COc1c(Cl)cc(Cl)cc1[C@@H](c1c[nH]c2ccccc21)C1C(=O)OC(C)(C)OC1=O ZINC000409112305 556802466 /nfs/dbraw/zinc/80/24/66/556802466.db2.gz CEYBCRVTQXNRAI-KRWDZBQOSA-N 0 0 448.302 5.068 40 0 IKABRN Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)c1 ZINC000409112464 556802608 /nfs/dbraw/zinc/80/26/08/556802608.db2.gz CYISDCPXECHEGE-UHFFFAOYSA-N 0 0 436.382 7.955 40 0 IKABRN COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)ccc1OCc1ccccc1Cl ZINC000409112634 556802857 /nfs/dbraw/zinc/80/28/57/556802857.db2.gz FSEKFIDGARAORR-HMAPJEAMSA-N 0 0 447.962 6.471 40 0 IKABRN COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccc(O)c(OC)c3)no2)cc1OC ZINC000019561505 556802910 /nfs/dbraw/zinc/80/29/10/556802910.db2.gz JLRZKFNKGWEFAF-FQEVSTJZSA-N 0 0 438.524 5.190 40 0 IKABRN CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 ZINC000409112167 556803049 /nfs/dbraw/zinc/80/30/49/556803049.db2.gz BRQJXLROIJBYQY-UHFFFAOYSA-N 0 0 425.528 7.069 40 0 IKABRN Cc1sc2c([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)nc(Nc3ccccc3)n2c1C ZINC000019561720 556803104 /nfs/dbraw/zinc/80/31/04/556803104.db2.gz WTGQOVUKHRTUMX-LJQANCHMSA-N 0 0 445.592 5.100 40 0 IKABRN CCOc1ccc(NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000409113076 556803319 /nfs/dbraw/zinc/80/33/19/556803319.db2.gz GLNLRLZKYZNJNV-UHFFFAOYSA-N 0 0 442.353 6.048 40 0 IKABRN COc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000409113280 556803658 /nfs/dbraw/zinc/80/36/58/556803658.db2.gz FHFJFCAGBORHCM-UHFFFAOYSA-N 0 0 432.745 6.302 40 0 IKABRN COc1ccc2oc(C(=O)N3CCC[C@@H](c4cc5nc(C(F)(F)F)ccc5[nH]4)C3)cc2c1 ZINC000019563586 556804322 /nfs/dbraw/zinc/80/43/22/556804322.db2.gz NXROEYWNQGJCTI-CYBMUJFWSA-N 0 0 443.425 5.356 40 0 IKABRN Clc1ccc(COc2c(Cl)cc(CNc3ccccc3)cc2Cl)c(Cl)c1 ZINC000409114460 556804404 /nfs/dbraw/zinc/80/44/04/556804404.db2.gz HRMPMMLVCPIUDE-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN Cc1ccc(C)c(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc32)c1 ZINC000409114097 556804409 /nfs/dbraw/zinc/80/44/09/556804409.db2.gz CDGFKHMJXHOUBJ-UHFFFAOYSA-N 0 0 446.388 7.410 40 0 IKABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)ccc1OCc1ccccc1Cl ZINC000409114385 556804544 /nfs/dbraw/zinc/80/45/44/556804544.db2.gz JJJADLOGUOKRRW-QNGOZBTKSA-N 0 0 433.935 6.225 40 0 IKABRN CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)c2ccccc21 ZINC000409114502 556804948 /nfs/dbraw/zinc/80/49/48/556804948.db2.gz KCUNOFHCFXMOFW-BKUYFWCQSA-N 0 0 435.926 6.601 40 0 IKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409114632 556805273 /nfs/dbraw/zinc/80/52/73/556805273.db2.gz HVECXUYOLSAHAZ-UHFFFAOYSA-N 0 0 445.968 5.735 40 0 IKABRN C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000409114841 556805404 /nfs/dbraw/zinc/80/54/04/556805404.db2.gz QNOYKWGSEZUCLX-UETJRYKRSA-N 0 0 426.560 6.127 40 0 IKABRN COc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409114804 556805548 /nfs/dbraw/zinc/80/55/48/556805548.db2.gz QJBBQYKVSHPAGU-UHFFFAOYSA-N 0 0 444.344 6.405 40 0 IKABRN Cc1noc2nc(C3CCN(C(=O)CCc4ccccc4F)CC3)cc(C(F)(F)F)c12 ZINC000019564700 556805662 /nfs/dbraw/zinc/80/56/62/556805662.db2.gz DAIXMBYSGSEGOI-UHFFFAOYSA-N 0 0 435.421 5.028 40 0 IKABRN Cc1c2ccccc2oc1C(=O)N1CCC(c2nc3cnccn3c2NC(C)(C)C)CC1 ZINC000019566029 556806443 /nfs/dbraw/zinc/80/64/43/556806443.db2.gz FDGFILREMLIHJY-UHFFFAOYSA-N 0 0 431.540 5.014 40 0 IKABRN Cc1c2ccccc2oc1C(=O)N1CCC(c2nnc(-c3nccc4ccccc43)o2)CC1 ZINC000019566092 556806511 /nfs/dbraw/zinc/80/65/11/556806511.db2.gz IOWVYJBWYKEJKT-UHFFFAOYSA-N 0 0 438.487 5.359 40 0 IKABRN CCOc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 ZINC000409115846 556807104 /nfs/dbraw/zinc/80/71/04/556807104.db2.gz HUDAZTQEUPZMBT-UHFFFAOYSA-N 0 0 430.317 6.178 40 0 IKABRN Cc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1C ZINC000409116478 556808089 /nfs/dbraw/zinc/80/80/89/556808089.db2.gz LZTIDTIEEXZBAR-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN Cc1ccc(C)c(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 ZINC000409116501 556808176 /nfs/dbraw/zinc/80/81/76/556808176.db2.gz PLTAOGJSAQZYAS-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000061240339 556809762 /nfs/dbraw/zinc/80/97/62/556809762.db2.gz XRIKEBWNXRVXOE-UHFFFAOYSA-N 0 0 439.968 5.176 40 0 IKABRN COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409117323 556809766 /nfs/dbraw/zinc/80/97/66/556809766.db2.gz XJMFWUFILARUHU-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN CCOc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000409117385 556809815 /nfs/dbraw/zinc/80/98/15/556809815.db2.gz LPQQQBGDQFCEEH-UHFFFAOYSA-N 0 0 446.772 6.692 40 0 IKABRN CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409117646 556810004 /nfs/dbraw/zinc/81/00/04/556810004.db2.gz PRBBHYCRVUZVNR-UHFFFAOYSA-N 0 0 430.375 7.200 40 0 IKABRN COc1ccccc1C[N@@H+]1CCC[C@](Cc2ccccc2-c2ccccc2OC)(C(=O)[O-])C1 ZINC000019570195 556810116 /nfs/dbraw/zinc/81/01/16/556810116.db2.gz WZELOOSITYWRTI-MUUNZHRXSA-N 0 0 445.559 5.280 40 0 IKABRN COc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409117869 556810125 /nfs/dbraw/zinc/81/01/25/556810125.db2.gz PEUXSQMWCWVNCH-UHFFFAOYSA-N 0 0 444.344 6.405 40 0 IKABRN Cc1ccc(C)c(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 ZINC000409118043 556810130 /nfs/dbraw/zinc/81/01/30/556810130.db2.gz MTJFSVUUNVCYPK-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)c2ccccc21 ZINC000409117835 556810274 /nfs/dbraw/zinc/81/02/74/556810274.db2.gz OOVZZXVBDKMLLR-KQWNVCNZSA-N 0 0 448.360 6.325 40 0 IKABRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1 ZINC000409118645 556811733 /nfs/dbraw/zinc/81/17/33/556811733.db2.gz OVVMGWFQCZRAIC-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN Cc1cccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)c1C ZINC000409118655 556811812 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Cc1nc(C)c(C(=O)N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)o1 ZINC000019690526 556846481 /nfs/dbraw/zinc/84/64/81/556846481.db2.gz PSXNMMKHNQATQE-UHFFFAOYSA-N 0 0 443.469 5.316 40 0 IKABRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000409133459 556846579 /nfs/dbraw/zinc/84/65/79/556846579.db2.gz MOFSTYCIRFFPHL-HMAPJEAMSA-N 0 0 447.560 5.059 40 0 IKABRN O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000409133316 556846718 /nfs/dbraw/zinc/84/67/18/556846718.db2.gz SCHQQNZANZZDMT-HAVVHWLPSA-N 0 0 437.370 5.883 40 0 IKABRN Cc1cc(Cc2c(F)cccc2F)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)n1 ZINC000019691575 556847104 /nfs/dbraw/zinc/84/71/04/556847104.db2.gz KUWKBMKREUSXQG-UHFFFAOYSA-N 0 0 438.522 5.125 40 0 IKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000408776578 556847304 /nfs/dbraw/zinc/84/73/04/556847304.db2.gz WFERSLNIBCQQLM-UHFFFAOYSA-N 0 0 425.553 7.165 40 0 IKABRN O=C(NCCc1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)cc1 ZINC000019691826 556847567 /nfs/dbraw/zinc/84/75/67/556847567.db2.gz AUYGIBXOBLEBDE-UHFFFAOYSA-N 0 0 437.326 5.609 40 0 IKABRN Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2cn3cccc(C)c3n2)n1 ZINC000019691911 556847597 /nfs/dbraw/zinc/84/75/97/556847597.db2.gz UPKXYYXNNXYVAF-DEOSSOPVSA-N 0 0 428.511 5.053 40 0 IKABRN Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)c2)c1 ZINC000019691997 556847887 /nfs/dbraw/zinc/84/78/87/556847887.db2.gz BODQDRGWZYSEME-SANMLTNESA-N 0 0 438.575 5.462 40 0 IKABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 ZINC000019691968 556847898 /nfs/dbraw/zinc/84/78/98/556847898.db2.gz KXLQWCUHWYPMAS-RUZDIDTESA-N 0 0 438.575 5.152 40 0 IKABRN Cc1cc(C)c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000409133935 556847948 /nfs/dbraw/zinc/84/79/48/556847948.db2.gz NYSWGIPUXWJXQB-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1CCCc1ccccc1 ZINC000409135956 556848720 /nfs/dbraw/zinc/84/87/20/556848720.db2.gz VITNZCZQFXFMIT-HKOYGPOVSA-N 0 0 429.541 5.935 40 0 IKABRN O=C1S/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1CCCc1ccccc1 ZINC000409136388 556849054 /nfs/dbraw/zinc/84/90/54/556849054.db2.gz SSXFDCRMFRTLKS-PTGBLXJZSA-N 0 0 431.582 6.507 40 0 IKABRN COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1CCOCC1 ZINC000068603376 556849103 /nfs/dbraw/zinc/84/91/03/556849103.db2.gz MDTZFMPAWJBERT-UHFFFAOYSA-N 0 0 445.922 5.760 40 0 IKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 ZINC000008829173 556849518 /nfs/dbraw/zinc/84/95/18/556849518.db2.gz BCKUUNFZPHVTFS-XMMPIXPASA-N 0 0 432.520 5.044 40 0 IKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000019694872 556851136 /nfs/dbraw/zinc/85/11/36/556851136.db2.gz YVDLVIMAFDSULK-UHFFFAOYSA-N 0 0 439.481 5.414 40 0 IKABRN O=C(Oc1ccc2c(cccc2OC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000008935052 556852711 /nfs/dbraw/zinc/85/27/11/556852711.db2.gz VCVLKSXOJNCUEV-FPCALVHFSA-N 0 0 448.518 6.258 40 0 IKABRN CCOc1ccc2ccc(OCC)c(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2c1 ZINC000408780476 556854571 /nfs/dbraw/zinc/85/45/71/556854571.db2.gz ZNICVENEBWUGFJ-OYKKKHCWSA-N 0 0 444.556 5.024 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)cc1Cl ZINC000408782192 556854647 /nfs/dbraw/zinc/85/46/47/556854647.db2.gz WPXDREBXNBQKLA-UHFFFAOYSA-N 0 0 437.005 5.203 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)S2)cc1 ZINC000408783422 556855244 /nfs/dbraw/zinc/85/52/44/556855244.db2.gz LGAGBVMHSCDVSG-GJFKPFFXSA-N 0 0 434.536 5.567 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 ZINC000408783510 556855377 /nfs/dbraw/zinc/85/53/77/556855377.db2.gz MASDICHHNXAJPU-ZRELAVNMSA-N 0 0 445.371 6.415 40 0 IKABRN CCOc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)ccc1OCc1ccccc1 ZINC000408799879 556857778 /nfs/dbraw/zinc/85/77/78/556857778.db2.gz IXZTVHWSGBNKFU-UHFFFAOYSA-N 0 0 449.527 5.566 40 0 IKABRN CCOc1ccc2ccccc2c1/C=C1\SC(Nc2cc(Cl)ccc2OC)NC1=O ZINC000408800375 556858012 /nfs/dbraw/zinc/85/80/12/556858012.db2.gz OOORKXZNCGQJRM-UHFFFAOYSA-N 0 0 439.944 5.663 40 0 IKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1Nc1ccccc1 ZINC000408801910 556858477 /nfs/dbraw/zinc/85/84/77/556858477.db2.gz WYDCEKGRICSTCZ-WFWAGITPSA-N 0 0 427.977 6.100 40 0 IKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1Nc1ccccc1 ZINC000408804793 556860515 /nfs/dbraw/zinc/86/05/15/556860515.db2.gz BJXVEQOMWBPDLH-TXYGQUSJSA-N 0 0 446.423 7.047 40 0 IKABRN CC(C)(C)c1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc(C(C)(C)C)c1O ZINC000408807874 556861406 /nfs/dbraw/zinc/86/14/06/556861406.db2.gz IEIHFQNPHHJZIR-UHFFFAOYSA-N 0 0 427.565 5.889 40 0 IKABRN Cc1c(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1C ZINC000408810304 556862202 /nfs/dbraw/zinc/86/22/02/556862202.db2.gz IPNKNKMUWUSJHP-IVTWHQKDSA-N 0 0 444.624 6.541 40 0 IKABRN COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)ccc1OCC(C)C ZINC000408810677 556862390 /nfs/dbraw/zinc/86/23/90/556862390.db2.gz UKAMGLNTISNNBW-UHFFFAOYSA-N 0 0 431.965 5.455 40 0 IKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1Nc1ccccc1 ZINC000408812348 556862962 /nfs/dbraw/zinc/86/29/62/556862962.db2.gz SHTJXXGGZNGKKB-LCOCASIVSA-N 0 0 429.968 6.533 40 0 IKABRN CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)C1=O ZINC000408812425 556862989 /nfs/dbraw/zinc/86/29/89/556862989.db2.gz NAMRFGCWQLCLQS-SXGWCWSVSA-N 0 0 438.730 5.348 40 0 IKABRN Cc1c(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000408812885 556863046 /nfs/dbraw/zinc/86/30/46/556863046.db2.gz BZIGMJVILXEZJQ-IWIPYMOSSA-N 0 0 442.515 6.378 40 0 IKABRN Cc1[nH]c2ccccc2c1/C=C1\SC(Nc2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O ZINC000408816213 556863619 /nfs/dbraw/zinc/86/36/19/556863619.db2.gz XYZBWDQPYARYBS-WZHRTBHDSA-N 0 0 430.597 6.530 40 0 IKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1Nc1ccccc1 ZINC000408819836 556865691 /nfs/dbraw/zinc/86/56/91/556865691.db2.gz UFOCICRTZRJXMD-AHQGTXAOSA-N 0 0 430.597 6.232 40 0 IKABRN CCCc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1ccc(OC)cc1 ZINC000408823811 556865723 /nfs/dbraw/zinc/86/57/23/556865723.db2.gz GIMUFWOELVOTFB-UHFFFAOYSA-N 0 0 442.537 5.049 40 0 IKABRN CC(C)Cn1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000409137663 556865982 /nfs/dbraw/zinc/86/59/82/556865982.db2.gz XTUWMSQMYZIUFR-XKZIYDEJSA-N 0 0 438.524 5.552 40 0 IKABRN CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408821889 556866221 /nfs/dbraw/zinc/86/62/21/556866221.db2.gz AEHMGAIMJACDIK-UHFFFAOYSA-N 0 0 425.768 6.975 40 0 IKABRN CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(Cl)cc1 ZINC000408821081 556866249 /nfs/dbraw/zinc/86/62/49/556866249.db2.gz CDKMLHMEXFYDBJ-UHFFFAOYSA-N 0 0 435.774 6.431 40 0 IKABRN Cc1ccc(-c2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc2-c2ccccc2)cc1 ZINC000408826692 556866443 /nfs/dbraw/zinc/86/64/43/556866443.db2.gz KMPJZKYPBSFQJJ-UHFFFAOYSA-N 0 0 446.575 7.705 40 0 IKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1cccc(Cl)c1 ZINC000408826781 556866462 /nfs/dbraw/zinc/86/64/62/556866462.db2.gz KTZDWJLSLODDRG-UHFFFAOYSA-N 0 0 425.340 7.036 40 0 IKABRN CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(Cl)cc1Cl ZINC000408836385 556866669 /nfs/dbraw/zinc/86/66/69/556866669.db2.gz QSUYWHKBPDZDGN-UHFFFAOYSA-N 0 0 425.768 6.975 40 0 IKABRN Cc1ccc(-c2sc(NC(=O)c3cccc(Br)c3)nc2-c2ccccc2)cc1 ZINC000408836768 556867014 /nfs/dbraw/zinc/86/70/14/556867014.db2.gz VHVXIZYFYQEDQP-UHFFFAOYSA-N 0 0 449.373 6.800 40 0 IKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccncc1 ZINC000408835394 556867034 /nfs/dbraw/zinc/86/70/34/556867034.db2.gz YRDNJWPXOLNUDJ-UHFFFAOYSA-N 0 0 433.536 6.791 40 0 IKABRN O=C(Oc1ccccc1/C=C1/N=C(c2ccco2)OC1=O)c1sc2ccccc2c1Cl ZINC000408844406 556868426 /nfs/dbraw/zinc/86/84/26/556868426.db2.gz OKNUNCYYQMWPPA-NTCAYCPXSA-N 0 0 449.871 5.711 40 0 IKABRN O=C1/C(=C\c2ccncc2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1 ZINC000408845219 556868658 /nfs/dbraw/zinc/86/86/58/556868658.db2.gz VHVCLXBMDMUTBT-CPNJWEJPSA-N 0 0 438.712 5.332 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409137816 556872905 /nfs/dbraw/zinc/87/29/05/556872905.db2.gz WQYISJQXHJTVOF-UHFFFAOYSA-N 0 0 436.577 5.261 40 0 IKABRN O=C1S/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N1Cc1ccc(Br)cc1 ZINC000408865182 556873292 /nfs/dbraw/zinc/87/32/92/556873292.db2.gz BOHSOHQZXFEKEF-ATVHPVEESA-N 0 0 447.354 5.269 40 0 IKABRN CCCN1C(=O)S/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C1=O ZINC000409141197 556873553 /nfs/dbraw/zinc/87/35/53/556873553.db2.gz IZUQAOSLDJVDEM-KQWNVCNZSA-N 0 0 434.561 5.865 40 0 IKABRN COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OCc1ccccc1 ZINC000409143537 556873888 /nfs/dbraw/zinc/87/38/88/556873888.db2.gz MPGCJWOSNHETFU-HZHRSRAPSA-N 0 0 437.561 5.891 40 0 IKABRN O=C1S[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409143925 556873899 /nfs/dbraw/zinc/87/38/99/556873899.db2.gz ONGPEMHTUNNOOS-JOCHJYFZSA-N 0 0 437.948 5.726 40 0 IKABRN COc1ccc2ccc(OC)c(C[C@@H]3SC(=O)N(c4cccc(Cl)c4)C3=O)c2c1 ZINC000409142912 556873933 /nfs/dbraw/zinc/87/39/33/556873933.db2.gz FLQXBULJKCRIEZ-FQEVSTJZSA-N 0 0 427.909 5.322 40 0 IKABRN O=C(CSCc1ccccc1Br)NCCSCc1ccccc1Cl ZINC000408868777 556874190 /nfs/dbraw/zinc/87/41/90/556874190.db2.gz OQPVSPBRMLMQJJ-UHFFFAOYSA-N 0 0 444.847 5.385 40 0 IKABRN O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1CC1CCCCC1 ZINC000409146159 556874612 /nfs/dbraw/zinc/87/46/12/556874612.db2.gz JZAOHLIBVDQLNR-LDADJPATSA-N 0 0 433.982 6.701 40 0 IKABRN COc1ccc(-c2nc3c(c(C)nn3-c3ccccc3)c3cc(OC)c(OC)cc32)cc1O ZINC000070503662 556876249 /nfs/dbraw/zinc/87/62/49/556876249.db2.gz VJTZOMAFXNBIFW-UHFFFAOYSA-N 0 0 441.487 5.281 40 0 IKABRN Cc1ccccc1OCc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c(=S)o1 ZINC000409151296 556876896 /nfs/dbraw/zinc/87/68/96/556876896.db2.gz FZWGRTLQOBMXPA-UHFFFAOYSA-N 0 0 443.613 5.587 40 0 IKABRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000409155119 556879038 /nfs/dbraw/zinc/87/90/38/556879038.db2.gz BULJAKYWYWBWPM-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1OC ZINC000409154983 556879428 /nfs/dbraw/zinc/87/94/28/556879428.db2.gz HYLDQKSJUUNWLC-WOJGMQOQSA-N 0 0 448.338 5.093 40 0 IKABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c2ccccc12 ZINC000409156464 556879827 /nfs/dbraw/zinc/87/98/27/556879827.db2.gz NVJSETYHWLCSGV-FYJGNVAPSA-N 0 0 446.528 5.140 40 0 IKABRN O=C(Cn1nc(COc2ccccc2)oc1=S)N1c2ccccc2Sc2ccccc21 ZINC000409157759 556880420 /nfs/dbraw/zinc/88/04/20/556880420.db2.gz WHKLPTBUOYPMQE-UHFFFAOYSA-N 0 0 447.541 5.614 40 0 IKABRN CC(C)c1cc(Br)ccc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000408911403 556888150 /nfs/dbraw/zinc/88/81/50/556888150.db2.gz JGMIOFSYZOMMNL-UHFFFAOYSA-N 0 0 445.184 6.677 40 0 IKABRN CC1(C)CC[C@@]2(C)CC[C@@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]43C)[C@H]2C1 ZINC000071789659 556888192 /nfs/dbraw/zinc/88/81/92/556888192.db2.gz JFSHUTJDVKUMTJ-XIVGSBGFSA-N 0 0 426.729 8.169 40 0 in-vitro IKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c1 ZINC000408915254 556890059 /nfs/dbraw/zinc/89/00/59/556890059.db2.gz PSLXUQOSFRIGMW-NTEUORMPSA-N 0 0 440.952 5.410 40 0 IKABRN 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/nfs/dbraw/zinc/91/82/07/556918207.db2.gz IDKKJHZEISVAAU-BUESGFEBSA-N 0 0 436.360 6.407 40 0 IKABRN CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O ZINC000409012366 556918751 /nfs/dbraw/zinc/91/87/51/556918751.db2.gz JMIUGLSINRGKMH-BXUJETTOSA-N 0 0 446.366 5.863 40 0 IKABRN O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349478 556919700 /nfs/dbraw/zinc/91/97/00/556919700.db2.gz YBZDMDDGHHQCGN-SFHVURJKSA-N 0 0 425.454 5.111 40 0 IKABRN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)nnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000019817110 556919903 /nfs/dbraw/zinc/91/99/03/556919903.db2.gz WISICLIHQFVUJR-UHFFFAOYSA-N 0 0 431.805 5.024 40 0 IKABRN COc1ccc(-n2nc(Nc3cc(Cl)cc(Cl)c3)c3c2CC(C)(C)CC3=O)cc1 ZINC000019816987 556919906 /nfs/dbraw/zinc/91/99/06/556919906.db2.gz YXJUKCZWVGRHNG-UHFFFAOYSA-N 0 0 430.335 6.086 40 0 IKABRN Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc2c(-c3ccc(F)cc3)cnn21 ZINC000019817135 556919947 /nfs/dbraw/zinc/91/99/47/556919947.db2.gz BGQCAZVZMMHPDX-UHFFFAOYSA-N 0 0 439.450 5.283 40 0 IKABRN O=C1CCCc2c1c(Nc1cccc(C(F)(F)F)c1)nn2-c1nc2ccccc2s1 ZINC000019817257 556919964 /nfs/dbraw/zinc/91/99/64/556919964.db2.gz STROZLVSDHQBQU-UHFFFAOYSA-N 0 0 428.439 5.763 40 0 IKABRN Cc1nc(CC(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cs1 ZINC000072350057 556919983 /nfs/dbraw/zinc/91/99/83/556919983.db2.gz SYBZYNCMPMVDKX-QGZVFWFLSA-N 0 0 445.510 5.481 40 0 IKABRN Cc1nc(CC(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)cs1 ZINC000072350062 556920000 /nfs/dbraw/zinc/92/00/00/556920000.db2.gz IPDXWKBRYRTOHD-UHFFFAOYSA-N 0 0 425.985 5.039 40 0 IKABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349841 556920021 /nfs/dbraw/zinc/92/00/21/556920021.db2.gz UOCAFAVLIFSJHH-MRXNPFEDSA-N 0 0 431.483 5.552 40 0 IKABRN CC(C)N1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O ZINC000409018660 556920103 /nfs/dbraw/zinc/92/01/03/556920103.db2.gz OAJBFAVJPXWFPS-KEBDBYFISA-N 0 0 445.371 6.441 40 0 IKABRN CCn1ccnc1CN1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072350307 556920379 /nfs/dbraw/zinc/92/03/79/556920379.db2.gz ZIVXLVGPKKMXNP-LJQANCHMSA-N 0 0 428.502 5.287 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Br)c1OC(C)C ZINC000409021729 556922502 /nfs/dbraw/zinc/92/25/02/556922502.db2.gz VMKYCNYHAFFCLQ-OQLLNIDSSA-N 0 0 428.348 5.080 40 0 IKABRN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409022562 556923033 /nfs/dbraw/zinc/92/30/33/556923033.db2.gz UXMQLHLEAAYXKK-YBFXNURJSA-N 0 0 431.941 5.681 40 0 IKABRN CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)NC2(c3ccccc3)CCCC2)C1 ZINC000072352633 556924766 /nfs/dbraw/zinc/92/47/66/556924766.db2.gz WGJXZIPCNNEWNA-LJQANCHMSA-N 0 0 432.589 5.436 40 0 IKABRN CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000072352641 556924791 /nfs/dbraw/zinc/92/47/91/556924791.db2.gz YHPSGFYOQODNFQ-JOCHJYFZSA-N 0 0 446.616 5.332 40 0 IKABRN CCn1c(C)nc2cc(NC(=O)c3sc4ccccc4c3[C@H]3CCN(C(C)=O)C3)ccc21 ZINC000072352589 556924869 /nfs/dbraw/zinc/92/48/69/556924869.db2.gz PFLOASSLJDXEOH-KRWDZBQOSA-N 0 0 446.576 5.167 40 0 IKABRN O=C(CCSc1ccc(Cl)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409024980 556925736 /nfs/dbraw/zinc/92/57/36/556925736.db2.gz OSAANUDFBBRPIH-UHFFFAOYSA-N 0 0 426.025 6.929 40 0 IKABRN Cc1cccc(Nc2ccc([C@@H]3CCCN(C(=O)CCc4c[nH]c5ccccc45)C3)nc2)n1 ZINC000072353394 556926557 /nfs/dbraw/zinc/92/65/57/556926557.db2.gz DBLOTUGGEVHQKG-OAQYLSRUSA-N 0 0 439.563 5.349 40 0 IKABRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)N(C)C2=S)cc1 ZINC000409033244 556927462 /nfs/dbraw/zinc/92/74/62/556927462.db2.gz OGGVPIONHCHFJU-QJOMJCCJSA-N 0 0 444.556 5.269 40 0 IKABRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)N(C)C1=S ZINC000409034174 556927552 /nfs/dbraw/zinc/92/75/52/556927552.db2.gz PPXNFSYGNAHRNC-YVLHZVERSA-N 0 0 439.339 5.131 40 0 IKABRN Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)n1 ZINC000072353721 556927922 /nfs/dbraw/zinc/92/79/22/556927922.db2.gz MIRLLRUXELTSLC-HXUWFJFHSA-N 0 0 434.971 5.026 40 0 IKABRN Cc1ccn2cc(C(=O)N3CCC[C@@H](c4cc(Cc5ccccc5C)cc(C)n4)C3)nc2c1 ZINC000072354195 556929294 /nfs/dbraw/zinc/92/92/94/556929294.db2.gz LFIOLRPGPJQVMK-XMMPIXPASA-N 0 0 438.575 5.265 40 0 IKABRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCc1cccc(F)c1 ZINC000409042583 556929423 /nfs/dbraw/zinc/92/94/23/556929423.db2.gz YLJQUUPVOORXIX-STZFKDTASA-N 0 0 448.519 5.018 40 0 IKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000409042154 556929552 /nfs/dbraw/zinc/92/95/52/556929552.db2.gz WJKOHVNGXQYUDO-QNGOZBTKSA-N 0 0 434.948 5.523 40 0 IKABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 ZINC000072354222 556929599 /nfs/dbraw/zinc/92/95/99/556929599.db2.gz FXYUUZUXZXASDM-OAQYLSRUSA-N 0 0 437.971 5.188 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)cc1 ZINC000072356184 556930782 /nfs/dbraw/zinc/93/07/82/556930782.db2.gz MOHUAGTUJBVRAU-VWLOTQADSA-N 0 0 441.575 5.267 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cc1 ZINC000072356188 556930813 /nfs/dbraw/zinc/93/08/13/556930813.db2.gz VLIUKKDMVNXLCI-QHCPKHFHSA-N 0 0 445.538 5.098 40 0 IKABRN Cn1cnc2cc(C(=O)N3CCC[C@H](c4cccc(-c5cccc(Cl)c5)n4)C3)ccc21 ZINC000072356465 556931300 /nfs/dbraw/zinc/93/13/00/556931300.db2.gz JITOIROIUIJKEO-IBGZPJMESA-N 0 0 430.939 5.309 40 0 IKABRN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccccc3)s2)c1 ZINC000409053253 556931341 /nfs/dbraw/zinc/93/13/41/556931341.db2.gz NRRKUQZBIVDCMW-UHFFFAOYSA-N 0 0 434.492 5.886 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000072358096 556931472 /nfs/dbraw/zinc/93/14/72/556931472.db2.gz UUUFZKAJVSNXLD-XMMPIXPASA-N 0 0 433.939 5.262 40 0 IKABRN Cc1nc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cs1 ZINC000072358146 556931754 /nfs/dbraw/zinc/93/17/54/556931754.db2.gz KOTKCEKWLXOJQL-OAQYLSRUSA-N 0 0 445.510 5.362 40 0 IKABRN COc1ccc(CCC(=O)N2CCC(c3cncc(-c4cccc(Cl)c4)n3)CC2)cc1 ZINC000072359566 556932361 /nfs/dbraw/zinc/93/23/61/556932361.db2.gz OARDWIMHXOPODP-UHFFFAOYSA-N 0 0 435.955 5.144 40 0 IKABRN O=C(Cc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359455 556932466 /nfs/dbraw/zinc/93/24/66/556932466.db2.gz GNGGOBLFUDONSG-LJQANCHMSA-N 0 0 425.454 5.111 40 0 IKABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359642 556932770 /nfs/dbraw/zinc/93/27/70/556932770.db2.gz FFWWKMPQABWJAJ-SFHVURJKSA-N 0 0 443.444 5.250 40 0 IKABRN COc1cc2c(cc1C)-c1nc(NC(=O)C(c3ccccc3)c3ccccc3)sc1CC2 ZINC000409053561 556933168 /nfs/dbraw/zinc/93/31/68/556933168.db2.gz ZQOSHJWJRTYBMR-UHFFFAOYSA-N 0 0 440.568 5.996 40 0 IKABRN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000409052339 556933642 /nfs/dbraw/zinc/93/36/42/556933642.db2.gz RYSVVXVQEDQMLL-UHFFFAOYSA-N 0 0 432.486 5.494 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409058611 556935687 /nfs/dbraw/zinc/93/56/87/556935687.db2.gz TZKWAXAWGLWSSW-UNOMPAQXSA-N 0 0 436.360 6.409 40 0 IKABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)c1ccccn1 ZINC000072370663 556935935 /nfs/dbraw/zinc/93/59/35/556935935.db2.gz XDQLWXCEVMYIQL-SFHVURJKSA-N 0 0 435.593 5.062 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1 ZINC000409054226 556938075 /nfs/dbraw/zinc/93/80/75/556938075.db2.gz STTTXLNRJLCGCJ-UHFFFAOYSA-N 0 0 438.911 6.531 40 0 IKABRN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)c12 ZINC000409055087 556938491 /nfs/dbraw/zinc/93/84/91/556938491.db2.gz JRKIYVLMKDTPID-UHFFFAOYSA-N 0 0 440.344 6.825 40 0 IKABRN COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409061780 556939401 /nfs/dbraw/zinc/93/94/01/556939401.db2.gz HYKHIXBEVDZRDL-ZDLGFXPLSA-N 0 0 435.904 5.511 40 0 IKABRN Cc1c2ccccc2oc1C(=O)N1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000072371515 556939454 /nfs/dbraw/zinc/93/94/54/556939454.db2.gz DXYVTNFSAHINSR-KRWDZBQOSA-N 0 0 449.938 5.369 40 0 IKABRN CCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000409062762 556939985 /nfs/dbraw/zinc/93/99/85/556939985.db2.gz AMNVWEANPLXPDU-UHFFFAOYSA-N 0 0 428.532 5.243 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)C1=O ZINC000409064550 556941065 /nfs/dbraw/zinc/94/10/65/556941065.db2.gz CWNCSROQMDELQY-STZFKDTASA-N 0 0 445.968 6.154 40 0 IKABRN COc1ccccc1CCC(=O)N1CCC[C@H]1c1cc(Nc2ncc(C)s2)cc(C)n1 ZINC000072372544 556943058 /nfs/dbraw/zinc/94/30/58/556943058.db2.gz QWLFCPKZIDPWOT-NRFANRHFSA-N 0 0 436.581 5.203 40 0 IKABRN Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)n1 ZINC000072372581 556943112 /nfs/dbraw/zinc/94/31/12/556943112.db2.gz CLUAOFKNAFJEOI-JOCHJYFZSA-N 0 0 441.535 5.572 40 0 IKABRN COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3cc(Nc4nc(C)cs4)cc(C)n3)cc21 ZINC000072372590 556943147 /nfs/dbraw/zinc/94/31/47/556943147.db2.gz MPUPWUSKLTZTAJ-NRFANRHFSA-N 0 0 447.564 5.366 40 0 IKABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1 ZINC000072372543 556943167 /nfs/dbraw/zinc/94/31/67/556943167.db2.gz LRVITRPARYUEBK-JOCHJYFZSA-N 0 0 436.581 5.203 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000409061279 556943266 /nfs/dbraw/zinc/94/32/66/556943266.db2.gz CKXGINVIDPLDJW-UNOMPAQXSA-N 0 0 436.360 6.409 40 0 IKABRN Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 ZINC000072372645 556943393 /nfs/dbraw/zinc/94/33/93/556943393.db2.gz DYQKKOYBEXURES-RUZDIDTESA-N 0 0 439.563 5.615 40 0 IKABRN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN3C(=O)c3cc4c(cccc4C)[nH]3)c2)n1 ZINC000072372629 556943447 /nfs/dbraw/zinc/94/34/47/556943447.db2.gz PIYPHMVSWLULPJ-DEOSSOPVSA-N 0 0 440.551 5.307 40 0 IKABRN CCOCc1ccc(C(=O)N2CCC[C@H]2c2cc(Nc3ncccc3C)cc(C)n2)cc1 ZINC000072372651 556943772 /nfs/dbraw/zinc/94/37/72/556943772.db2.gz RYBOXHZKRARFHO-DEOSSOPVSA-N 0 0 430.552 5.351 40 0 IKABRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1Cl ZINC000019927310 556945283 /nfs/dbraw/zinc/94/52/83/556945283.db2.gz NOXAKCFWBYNBTJ-UHFFFAOYSA-N 0 0 443.153 5.516 40 0 IKABRN Clc1ccccc1-c1nnc(CSc2n[nH]c(-c3ccc(Br)cc3)n2)o1 ZINC000019927930 556945747 /nfs/dbraw/zinc/94/57/47/556945747.db2.gz YICHBUDULIHDQG-UHFFFAOYSA-N 0 0 448.733 5.230 40 0 IKABRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1 ZINC000409072232 556945966 /nfs/dbraw/zinc/94/59/66/556945966.db2.gz JKUSYHTYHBXVGG-STZFKDTASA-N 0 0 437.973 6.728 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000409072028 556946021 /nfs/dbraw/zinc/94/60/21/556946021.db2.gz UGRGIZIWTNJAGQ-HVOBPNNYSA-N 0 0 449.334 5.667 40 0 IKABRN CC(C)(C)c1ccc(-c2nnc(CSc3nnc(-c4ccccc4Cl)o3)o2)cc1 ZINC000019928115 556946053 /nfs/dbraw/zinc/94/60/53/556946053.db2.gz GAMQLMJTIUZMGB-UHFFFAOYSA-N 0 0 426.929 6.030 40 0 IKABRN Clc1ccc(-c2nc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)n[nH]2)cc1 ZINC000019928797 556946564 /nfs/dbraw/zinc/94/65/64/556946564.db2.gz REBOYEXGEYJKRD-UHFFFAOYSA-N 0 0 438.727 5.774 40 0 IKABRN O=C1NC(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409074203 556946993 /nfs/dbraw/zinc/94/69/93/556946993.db2.gz KYRKCDIHCVXSTH-UDWIEESQSA-N 0 0 441.339 6.242 40 0 IKABRN Cc1nc2ccc(C(=O)N3CCC[C@@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)cc2s1 ZINC000072374156 556947335 /nfs/dbraw/zinc/94/73/35/556947335.db2.gz ZVUJFTQJQHCKBY-OAQYLSRUSA-N 0 0 445.563 5.749 40 0 IKABRN Cc1cc(Cl)ccc1OCc1nnc(SCc2cccc(Br)c2)o1 ZINC000019929309 556947357 /nfs/dbraw/zinc/94/73/57/556947357.db2.gz SZYNOYGAIVZEPL-UHFFFAOYSA-N 0 0 425.735 5.665 40 0 IKABRN CC(=O)Nc1ccc(-c2nnc(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)cc1 ZINC000019929236 556947370 /nfs/dbraw/zinc/94/73/70/556947370.db2.gz ITAZIKFQYLCBGX-UHFFFAOYSA-N 0 0 449.536 5.335 40 0 IKABRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000019929201 556947410 /nfs/dbraw/zinc/94/74/10/556947410.db2.gz ULKSJHDDBPTCSD-UHFFFAOYSA-N 0 0 443.743 5.171 40 0 IKABRN COc1ccc(Cl)cc1-c1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1 ZINC000019929205 556947456 /nfs/dbraw/zinc/94/74/56/556947456.db2.gz SVXXOTGSGGBDHZ-UHFFFAOYSA-N 0 0 434.308 5.129 40 0 IKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000409086156 556947690 /nfs/dbraw/zinc/94/76/90/556947690.db2.gz FZJCPIRQOWHPDL-UHFFFAOYSA-N 0 0 448.979 5.551 40 0 IKABRN O=C1Nc2ccccc2S/C1=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000409085465 556948607 /nfs/dbraw/zinc/94/86/07/556948607.db2.gz CZZNBBQAMPWRRD-MTJSOVHGSA-N 0 0 428.340 6.658 40 0 IKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000019932541 556949401 /nfs/dbraw/zinc/94/94/01/556949401.db2.gz OCMAAFKDBOJPCQ-XMMPIXPASA-N 0 0 448.538 6.172 40 0 IKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000019933302 556949570 /nfs/dbraw/zinc/94/95/70/556949570.db2.gz VJFYDPTUHYHQRM-HSZRJFAPSA-N 0 0 442.049 7.450 40 0 IKABRN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000019933437 556949598 /nfs/dbraw/zinc/94/95/98/556949598.db2.gz CBKUEHIQQXRXMB-UHFFFAOYSA-N 0 0 427.548 5.030 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 ZINC000019933624 556949922 /nfs/dbraw/zinc/94/99/22/556949922.db2.gz ZZLFHKTUKATJPB-HXUWFJFHSA-N 0 0 436.577 5.212 40 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CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)C(C)(C)c3ccc(C)cc3)n2)s1 ZINC000072375849 556953234 /nfs/dbraw/zinc/95/32/34/556953234.db2.gz QTHWSBBPCQBNBO-IBGZPJMESA-N 0 0 435.597 5.189 40 0 IKABRN Cc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccncc2)cc1C ZINC000409096859 556953266 /nfs/dbraw/zinc/95/32/66/556953266.db2.gz FEAQQJLYMLITFP-UHFFFAOYSA-N 0 0 441.387 6.545 40 0 IKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc32)cc1C ZINC000409097752 556953460 /nfs/dbraw/zinc/95/34/60/556953460.db2.gz NZWHJCGTZAKGQS-UHFFFAOYSA-N 0 0 435.596 6.920 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)Nc3ccccc3CC)nnc2-c2ccncc2)cc1 ZINC000409097289 556953542 /nfs/dbraw/zinc/95/35/42/556953542.db2.gz LWKPMBZJHLSOBS-UHFFFAOYSA-N 0 0 443.576 5.185 40 0 IKABRN COc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2cccc(Nc3nc(C)cs3)n2)cc1 ZINC000072375894 556953675 /nfs/dbraw/zinc/95/36/75/556953675.db2.gz CJTZJRHJEXOBEE-HXUWFJFHSA-N 0 0 436.581 5.240 40 0 IKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000409100162 556955227 /nfs/dbraw/zinc/95/52/27/556955227.db2.gz VEEFRMPKJGYBIK-WOJBJXKFSA-N 0 0 434.609 5.048 40 0 IKABRN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(CCC3=CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019962049 556955628 /nfs/dbraw/zinc/95/56/28/556955628.db2.gz NJMCNTFAPZRQET-XMMPIXPASA-N 0 0 442.563 5.406 40 0 IKABRN O=C(c1ccccc1)N1CCCC[C@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 ZINC000072377508 556956206 /nfs/dbraw/zinc/95/62/06/556956206.db2.gz SMWKWQHXJIIJHV-SFHVURJKSA-N 0 0 427.430 5.001 40 0 IKABRN COc1ccc(CCN2CN=C(c3ccccc3)N(c3cc(C)cc(C)c3)C2)cc1OC ZINC000019974130 556956715 /nfs/dbraw/zinc/95/67/15/556956715.db2.gz FQVRZKXJAOPMPA-UHFFFAOYSA-N 0 0 429.564 5.047 40 0 IKABRN COc1ccc(CCN2CN=C(c3ccccc3)N(c3cc(C)ccc3C)C2)cc1OC ZINC000019974137 556956804 /nfs/dbraw/zinc/95/68/04/556956804.db2.gz CHEABJVMBQBPOT-UHFFFAOYSA-N 0 0 429.564 5.047 40 0 IKABRN Clc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000409103298 556956826 /nfs/dbraw/zinc/95/68/26/556956826.db2.gz GKRPBNVJTUDTDC-UHFFFAOYSA-N 0 0 426.372 6.457 40 0 IKABRN Cc1cccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc32)c1C ZINC000409109592 556957159 /nfs/dbraw/zinc/95/71/59/556957159.db2.gz HVHLEFKJCCQIDL-UHFFFAOYSA-N 0 0 446.388 7.410 40 0 IKABRN Cc1ccc(COc2ccc(Br)cc2CNc2cccc(Cl)c2C)cc1 ZINC000409110497 556957331 /nfs/dbraw/zinc/95/73/31/556957331.db2.gz CSVPBEYQYQOWJG-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)c2ccccc21 ZINC000409109959 556957355 /nfs/dbraw/zinc/95/73/55/556957355.db2.gz OOMUPSQYLGQEAV-JWGURIENSA-N 0 0 431.507 6.101 40 0 IKABRN COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409110102 556957382 /nfs/dbraw/zinc/95/73/82/556957382.db2.gz RHNSDLMGVIBYLB-UHFFFAOYSA-N 0 0 430.317 6.096 40 0 IKABRN CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2OC)c2ccccc21 ZINC000409111159 556957629 /nfs/dbraw/zinc/95/76/29/556957629.db2.gz BZQMSOMZMDEQKG-ZROIWOOFSA-N 0 0 437.131 5.127 40 0 IKABRN CCCOc1c(I)cc(CNc2ccc(OCC)cc2)cc1OC ZINC000409110687 556957635 /nfs/dbraw/zinc/95/76/35/556957635.db2.gz FXGFJCDAYCYNBV-UHFFFAOYSA-N 0 0 441.309 5.099 40 0 IKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000409112131 556957805 /nfs/dbraw/zinc/95/78/05/556957805.db2.gz KGYHHRFHPXAPPG-UHFFFAOYSA-N 0 0 436.766 7.237 40 0 IKABRN Cc1ccc(NC(=O)c2c(NC(=O)COc3ccccc3)sc3c2CCCC3)cc1C ZINC000409113863 556958351 /nfs/dbraw/zinc/95/83/51/556958351.db2.gz GCOVNNJAWXXVKG-UHFFFAOYSA-N 0 0 434.561 5.514 40 0 IKABRN COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCc1cccc(F)c1 ZINC000409105986 556958851 /nfs/dbraw/zinc/95/88/51/556958851.db2.gz PVQBNWLCTLYRLW-GRSHGNNSSA-N 0 0 443.396 5.925 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C ZINC000409108716 556959839 /nfs/dbraw/zinc/95/98/39/556959839.db2.gz XHKZXHLDZQMFEZ-UHFFFAOYSA-N 0 0 428.989 5.548 40 0 IKABRN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C24CC5CC(CC(C5)C2)C4)CCCC3)cc1 ZINC000409116737 556960145 /nfs/dbraw/zinc/96/01/45/556960145.db2.gz OOGKWSZVFFTPMN-UHFFFAOYSA-N 0 0 448.632 6.343 40 0 IKABRN COc1ccc(/C=C(/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 ZINC000409116769 556960170 /nfs/dbraw/zinc/96/01/70/556960170.db2.gz LGICGMRBVIZDAU-CPNJWEJPSA-N 0 0 431.841 6.547 40 0 IKABRN Cc1ccc(Cl)cc1NCc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000409117920 556960403 /nfs/dbraw/zinc/96/04/03/556960403.db2.gz YCNOCGPMRWGYHZ-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 ZINC000409117553 556960430 /nfs/dbraw/zinc/96/04/30/556960430.db2.gz NPSPVMSTXFJSRB-UHFFFAOYSA-N 0 0 436.766 7.237 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2C)cc(I)c1OCC ZINC000409118432 556960638 /nfs/dbraw/zinc/96/06/38/556960638.db2.gz ZSHYXVHJTLSNAB-UHFFFAOYSA-N 0 0 445.728 5.663 40 0 IKABRN Cc1ccc(NC(=O)c2c(NC(=O)c3ccc4c(c3)OCO4)sc3c2CCCC3)cc1C ZINC000409118748 556960706 /nfs/dbraw/zinc/96/07/06/556960706.db2.gz QTBKNRMXOUTFTN-UHFFFAOYSA-N 0 0 448.544 5.477 40 0 IKABRN CCc1ccccc1NCc1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409119140 556960843 /nfs/dbraw/zinc/96/08/43/556960843.db2.gz QXNQPKSPEQQURU-UHFFFAOYSA-N 0 0 430.773 6.856 40 0 IKABRN CCCc1ncc(-c2ccncc2C)c([C@@H]2CCCN2C(=O)c2cccc(C)c2OC)n1 ZINC000072390641 556961043 /nfs/dbraw/zinc/96/10/43/556961043.db2.gz DIORAKOPHNSMMR-QFIPXVFZSA-N 0 0 430.552 5.094 40 0 IKABRN CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1cccc2ccccc21 ZINC000409120569 556961237 /nfs/dbraw/zinc/96/12/37/556961237.db2.gz UHKRKSNUWWWVCJ-UHFFFAOYSA-N 0 0 431.963 7.391 40 0 IKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)c2ccccc21 ZINC000409120472 556961344 /nfs/dbraw/zinc/96/13/44/556961344.db2.gz WDGRETFBZDVRIA-QNGOZBTKSA-N 0 0 433.935 6.225 40 0 IKABRN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)COc2c(C)cccc2C)n1 ZINC000072390689 556961331 /nfs/dbraw/zinc/96/13/31/556961331.db2.gz DWYMWWLWWSCRBL-QHCPKHFHSA-N 0 0 444.579 5.241 40 0 IKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409122039 556961747 /nfs/dbraw/zinc/96/17/47/556961747.db2.gz YIAFDNYCQGRZCP-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)c2ccccc21 ZINC000409122226 556961833 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Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000409177323 556995619 /nfs/dbraw/zinc/99/56/19/556995619.db2.gz DNFYGMRYSNGKFE-UHFFFAOYSA-N 0 0 436.507 6.281 40 0 IKABRN Cc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000409207000 556996514 /nfs/dbraw/zinc/99/65/14/556996514.db2.gz YGAIIKUCHIMGQP-KRWDZBQOSA-N 0 0 431.355 5.333 40 0 IKABRN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000409177845 556996633 /nfs/dbraw/zinc/99/66/33/556996633.db2.gz ICAMNOYHUNNSAS-MHZLTWQESA-N 0 0 447.494 5.261 40 0 IKABRN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CCCCC2)cc1 ZINC000020192481 556996711 /nfs/dbraw/zinc/99/67/11/556996711.db2.gz ASRLKRAJKFJHOV-HSZRJFAPSA-N 0 0 433.552 5.056 40 0 IKABRN Fc1cccc(Cl)c1Cn1cc(C(=S)N2CCc3ccccc3C2)c2ccccc21 ZINC000409207735 556996729 /nfs/dbraw/zinc/99/67/29/556996729.db2.gz YQRVNCQILNKTOZ-UHFFFAOYSA-N 0 0 434.967 6.216 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC ZINC000409208502 556997448 /nfs/dbraw/zinc/99/74/48/556997448.db2.gz GJLQMMDSPTYBLJ-LICLKQGHSA-N 0 0 438.332 6.032 40 0 IKABRN Cc1ccccc1CN(c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1)S(C)(=O)=O ZINC000409178916 556997491 /nfs/dbraw/zinc/99/74/91/556997491.db2.gz KHJPVMQGMNXREV-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000409178917 556997503 /nfs/dbraw/zinc/99/75/03/556997503.db2.gz KHUDKJPTAAPJBU-AWNIVKPZSA-N 0 0 447.343 5.446 40 0 IKABRN CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Br)c3)o2)cc1 ZINC000020197143 556997527 /nfs/dbraw/zinc/99/75/27/556997527.db2.gz XSLWEIOKVYNGKX-UHFFFAOYSA-N 0 0 446.370 5.025 40 0 IKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000409178992 556997569 /nfs/dbraw/zinc/99/75/69/556997569.db2.gz OPVOBIQNIBDERU-SFHVURJKSA-N 0 0 440.590 5.224 40 0 IKABRN COCCN1C(=O)S/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C1=O ZINC000409199237 556998572 /nfs/dbraw/zinc/99/85/72/556998572.db2.gz AJPRJGFABHYLJL-VCHYOVAHSA-N 0 0 438.332 5.255 40 0 IKABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](OC)CC(=O)O3)[C@H]21 ZINC000077313028 556998686 /nfs/dbraw/zinc/99/86/86/556998686.db2.gz OLSYISKGDWQZSZ-JJOHYTSISA-N 0 0 432.601 5.240 40 0 in-vitro IKABRN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2C)nnc1-c1ccccc1 ZINC000409199996 556999148 /nfs/dbraw/zinc/99/91/48/556999148.db2.gz GIVYYMBFILKEHM-UHFFFAOYSA-N 0 0 445.386 5.075 40 0 IKABRN COc1ccc(C)cc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409180157 556999241 /nfs/dbraw/zinc/99/92/41/556999241.db2.gz WFPYDYQFZYRKDW-AREMUKBSSA-N 0 0 446.572 5.073 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409200539 556999877 /nfs/dbraw/zinc/99/98/77/556999877.db2.gz IAVHGQFYEVFDEL-UHFFFAOYSA-N 0 0 441.000 5.255 40 0 IKABRN CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000409200701 557000104 /nfs/dbraw/zinc/00/01/04/557000104.db2.gz IPUYHAIJAKJQCS-UYRXBGFRSA-N 0 0 446.956 5.285 40 0 IKABRN CCCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC ZINC000409201701 557000855 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Cc1sc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(Cl)cc1 ZINC000409204746 557003102 /nfs/dbraw/zinc/00/31/02/557003102.db2.gz JYEXIRFEJKPLQQ-UHFFFAOYSA-N 0 0 426.969 6.497 40 0 IKABRN Cn1c2ccc(Oc3ccccc3)c3c2c(c(Oc2ccccc2)c1=O)-c1ccccc1C3=O ZINC000078549641 557006231 /nfs/dbraw/zinc/00/62/31/557006231.db2.gz GCQDRDLELFEUJV-UHFFFAOYSA-N 0 0 445.474 6.335 40 0 IKABRN Cc1cccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N(C(C)C)C(C)C)c1 ZINC000409211819 557006414 /nfs/dbraw/zinc/00/64/14/557006414.db2.gz NENKJSQMDNTTFJ-UHFFFAOYSA-N 0 0 436.625 5.098 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=O)CSCc4cc(C)cc(C)c4)cc3)sc2c1 ZINC000409185564 557006567 /nfs/dbraw/zinc/00/65/67/557006567.db2.gz MNZBVFOWAIULKC-UHFFFAOYSA-N 0 0 432.614 6.760 40 0 IKABRN CCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000409212907 557007553 /nfs/dbraw/zinc/00/75/53/557007553.db2.gz SCLKBOIOEMMCBK-UHFFFAOYSA-N 0 0 428.989 5.213 40 0 IKABRN CCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(CC)cc1 ZINC000409214636 557009114 /nfs/dbraw/zinc/00/91/14/557009114.db2.gz YUVDQKLAQDKBJD-UHFFFAOYSA-N 0 0 428.989 5.159 40 0 IKABRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)C1=O ZINC000409214598 557009242 /nfs/dbraw/zinc/00/92/42/557009242.db2.gz WIFIWYWTVUEURR-JWGURIENSA-N 0 0 425.550 5.891 40 0 IKABRN O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000409190950 557009472 /nfs/dbraw/zinc/00/94/72/557009472.db2.gz CITNDZHJOCRFOR-VCWRQBOVSA-N 0 0 429.859 5.303 40 0 IKABRN Cc1cccc(COc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000409191154 557010087 /nfs/dbraw/zinc/01/00/87/557010087.db2.gz TXNUPOYCRTVIIY-HYARGMPZSA-N 0 0 435.932 6.468 40 0 IKABRN CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O ZINC000409192170 557010289 /nfs/dbraw/zinc/01/02/89/557010289.db2.gz VDXKFCCGCLKULY-VIZOYTHASA-N 0 0 446.117 5.402 40 0 IKABRN O=C1N/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)C(=O)N1Cc1ccccc1 ZINC000409193558 557010340 /nfs/dbraw/zinc/01/03/40/557010340.db2.gz GOMDMMKYOPOVOM-KOEQRZSOSA-N 0 0 434.495 5.512 40 0 IKABRN CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1 ZINC000409196772 557010885 /nfs/dbraw/zinc/01/08/85/557010885.db2.gz XPZASRUNNQRPSO-UHFFFAOYSA-N 0 0 438.549 5.518 40 0 IKABRN O=C1S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000409195230 557011171 /nfs/dbraw/zinc/01/11/71/557011171.db2.gz SJQISVONPBGOLZ-OEAKJJBVSA-N 0 0 444.943 6.584 40 0 IKABRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1Cl ZINC000409194941 557011182 /nfs/dbraw/zinc/01/11/82/557011182.db2.gz NJNVEOMPRXRXBA-RWEWTDSWSA-N 0 0 439.367 6.469 40 0 IKABRN CCCCCN1C(=O)S/C(=C\c2cc(OCC)c(OCC)cc2Br)C1=O ZINC000409216308 557011232 /nfs/dbraw/zinc/01/12/32/557011232.db2.gz GVNLDEKPVRGMHY-BOPFTXTBSA-N 0 0 442.375 5.473 40 0 IKABRN Cc1sc2nc(SCCCOc3ccc(C)cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000409197371 557012153 /nfs/dbraw/zinc/01/21/53/557012153.db2.gz DAHWZKKKFDVGLL-UHFFFAOYSA-N 0 0 436.602 5.934 40 0 IKABRN O=C(Nc1cccc(Br)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000409197526 557012295 /nfs/dbraw/zinc/01/22/95/557012295.db2.gz HWENYPTTXALXPK-UHFFFAOYSA-N 0 0 441.108 6.180 40 0 IKABRN Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=O)O2)cc1Cl ZINC000409197694 557012428 /nfs/dbraw/zinc/01/24/28/557012428.db2.gz MGAANGDFXYTHBO-MTJSOVHGSA-N 0 0 435.838 5.351 40 0 IKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(C)cc3Cl)n2C)cc1 ZINC000409200900 557013938 /nfs/dbraw/zinc/01/39/38/557013938.db2.gz TUQUMJMJGFRTLO-RFBIWTDZSA-N 0 0 432.976 6.432 40 0 IKABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2c(OC(C)C)ccc3ccccc32)C1=O ZINC000409201345 557014416 /nfs/dbraw/zinc/01/44/16/557014416.db2.gz LRQPFYOSDZFYOO-RVZJCZPVSA-N 0 0 427.522 5.005 40 0 IKABRN S=C(c1cn(CCOc2ccccc2)c2ccc(Br)cc12)N1CCCCC1 ZINC000409205407 557015534 /nfs/dbraw/zinc/01/55/34/557015534.db2.gz IGCNGMQHLYFERX-UHFFFAOYSA-N 0 0 443.410 5.644 40 0 IKABRN CCc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCCCC2)cc1 ZINC000409202874 557015544 /nfs/dbraw/zinc/01/55/44/557015544.db2.gz SVOBJQUCCYGADD-UHFFFAOYSA-N 0 0 448.636 5.110 40 0 IKABRN Cc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nn12 ZINC000020427387 557015757 /nfs/dbraw/zinc/01/57/57/557015757.db2.gz YSGDPGARCTUUMB-ACCUITESSA-N 0 0 427.489 5.073 40 0 IKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(Cl)c3)n2C)cc1C ZINC000409205942 557015806 /nfs/dbraw/zinc/01/58/06/557015806.db2.gz RPLRLQYBBJZMJM-RFBIWTDZSA-N 0 0 432.976 6.432 40 0 IKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1cc(C)ccc1C ZINC000409206309 557016257 /nfs/dbraw/zinc/01/62/57/557016257.db2.gz UDGUSDLXVHKMQU-UHFFFAOYSA-N 0 0 434.605 6.598 40 0 IKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(I)c1OC ZINC000409206683 557016419 /nfs/dbraw/zinc/01/64/19/557016419.db2.gz VQRUCOFKZHRQAD-UHFFFAOYSA-N 0 0 438.092 5.227 40 0 IKABRN Cc1sc2nc(SCCCOc3ccccc3C)n(-c3ccccc3)c(=O)c2c1C ZINC000409206627 557016435 /nfs/dbraw/zinc/01/64/35/557016435.db2.gz YSFSZXUUENLQIS-UHFFFAOYSA-N 0 0 436.602 5.934 40 0 IKABRN Fc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409206643 557016520 /nfs/dbraw/zinc/01/65/20/557016520.db2.gz ZEDURJJHNYBKPK-UHFFFAOYSA-N 0 0 426.318 7.477 40 0 IKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3OC)n2C)cc1 ZINC000409207756 557017149 /nfs/dbraw/zinc/01/71/49/557017149.db2.gz ZIQHGLZOPWTOAD-QPLCGJKRSA-N 0 0 430.529 5.179 40 0 IKABRN O=C1N/C(=C/c2cccc(OCc3cccc4ccccc43)c2)C(=O)N1Cc1ccccc1 ZINC000409207759 557017152 /nfs/dbraw/zinc/01/71/52/557017152.db2.gz ZMKOBCWEOKBNLA-YZSQISJMSA-N 0 0 434.495 5.512 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1 ZINC000020483509 557017340 /nfs/dbraw/zinc/01/73/40/557017340.db2.gz NJMSYAODDSPELY-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1O[C@@H](C)CC ZINC000409224386 557017914 /nfs/dbraw/zinc/01/79/14/557017914.db2.gz JTQXYTJTCFIXIE-SITPEIFSSA-N 0 0 439.533 5.182 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C1=O ZINC000409238810 557020108 /nfs/dbraw/zinc/02/01/08/557020108.db2.gz MANNRIKPJQYIQT-CPNJWEJPSA-N 0 0 431.941 5.764 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccc(Cl)cc2)c1 ZINC000409209476 557020393 /nfs/dbraw/zinc/02/03/93/557020393.db2.gz FQTVBRUYSYZCBB-QGZVFWFLSA-N 0 0 441.000 5.389 40 0 IKABRN O=C1NC(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409239067 557020432 /nfs/dbraw/zinc/02/04/32/557020432.db2.gz GDFUTYDQQHQTSZ-DEDYPNTBSA-N 0 0 439.298 5.670 40 0 IKABRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O ZINC000409209738 557020722 /nfs/dbraw/zinc/02/07/22/557020722.db2.gz IEWUAUWRUUCGHK-JCMHNJIXSA-N 0 0 443.540 6.030 40 0 IKABRN CCCN(CCC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 ZINC000409210513 557021015 /nfs/dbraw/zinc/02/10/15/557021015.db2.gz KZDZFSOXPIXDAR-UHFFFAOYSA-N 0 0 443.016 5.637 40 0 IKABRN Cc1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000409230306 557021995 /nfs/dbraw/zinc/02/19/95/557021995.db2.gz YCKOGANUPOZRPV-YZSQISJMSA-N 0 0 448.522 5.820 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C1=O ZINC000409232403 557024445 /nfs/dbraw/zinc/02/44/45/557024445.db2.gz OTJYVTBKZJNROA-LDADJPATSA-N 0 0 432.339 5.474 40 0 IKABRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(CCOC)C1=O ZINC000409212242 557025794 /nfs/dbraw/zinc/02/57/94/557025794.db2.gz OFLFONCWTYBVDI-WSDLNYQXSA-N 0 0 441.593 5.236 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br ZINC000409244485 557026525 /nfs/dbraw/zinc/02/65/25/557026525.db2.gz DHWNSFKLEGIZHI-IYSPOMMRSA-N 0 0 443.341 5.028 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)N3CCCCCC3)nnc2-c2ccc(Cl)cc2)c1 ZINC000409212754 557026711 /nfs/dbraw/zinc/02/67/11/557026711.db2.gz QREJQOZATRCMTI-UHFFFAOYSA-N 0 0 441.000 5.391 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409247747 557028846 /nfs/dbraw/zinc/02/88/46/557028846.db2.gz AYLKQLWIWJEPIH-HHHXNRCGSA-N 0 0 444.600 6.145 40 0 IKABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000408527370 557030118 /nfs/dbraw/zinc/03/01/18/557030118.db2.gz DIZJJMNWRGIXHM-HIXWQLQUSA-N 0 0 447.597 5.365 40 0 IKABRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O ZINC000409249669 557030250 /nfs/dbraw/zinc/03/02/50/557030250.db2.gz KWVIUOHWFHLBPA-VCHYOVAHSA-N 0 0 449.334 5.274 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)ccc1OCc1cccc(C)c1 ZINC000409250637 557030845 /nfs/dbraw/zinc/03/08/45/557030845.db2.gz RLLPNWXKLGECBP-PXLXIMEGSA-N 0 0 441.549 5.046 40 0 IKABRN O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccccc1Br ZINC000408527830 557030901 /nfs/dbraw/zinc/03/09/01/557030901.db2.gz CRKJWUNVQKPPBB-UHFFFAOYSA-N 0 0 431.289 5.792 40 0 IKABRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1Br ZINC000408532526 557031585 /nfs/dbraw/zinc/03/15/85/557031585.db2.gz ZIZUXWCFVUUCHL-UHFFFAOYSA-N 0 0 447.288 5.918 40 0 IKABRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000409217488 557031619 /nfs/dbraw/zinc/03/16/19/557031619.db2.gz WDCLZGGSECAWQF-XDHOZWIPSA-N 0 0 439.876 5.628 40 0 IKABRN COc1cc(OC)cc(C(=O)Oc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)c1 ZINC000408530980 557031976 /nfs/dbraw/zinc/03/19/76/557031976.db2.gz TUAIEJJTEHWABI-UHFFFAOYSA-N 0 0 428.444 5.172 40 0 IKABRN O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1CCc1ccccc1 ZINC000409218208 557032029 /nfs/dbraw/zinc/03/20/29/557032029.db2.gz ZGYDLWCGQYETIX-LYBHJNIJSA-N 0 0 445.540 5.423 40 0 IKABRN Cc1nn(-c2ccccc2)c(C)c1N1C(=O)c2cccc3c(N4CCCC4)ccc(c32)C1=O ZINC000408537183 557032269 /nfs/dbraw/zinc/03/22/69/557032269.db2.gz ZKGSSJTWEYITIX-UHFFFAOYSA-N 0 0 436.515 5.043 40 0 IKABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O ZINC000408535326 557032624 /nfs/dbraw/zinc/03/26/24/557032624.db2.gz VXHOWKWHABYTMF-SMEDBKPVSA-N 0 0 441.574 5.524 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)cc1 ZINC000408545428 557034260 /nfs/dbraw/zinc/03/42/60/557034260.db2.gz LNEHDHPVTUKQJW-UHFFFAOYSA-N 0 0 430.342 6.441 40 0 IKABRN O=C(COc1ccc(CNc2ccccc2Cl)cc1Br)Nc1ccccc1 ZINC000409254869 557034496 /nfs/dbraw/zinc/03/44/96/557034496.db2.gz JJYPHAJEVUJPBC-UHFFFAOYSA-N 0 0 445.744 5.732 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)cc1 ZINC000408544362 557034550 /nfs/dbraw/zinc/03/45/50/557034550.db2.gz HEONDPXJOISQEW-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccc2O)c(C)c1 ZINC000408543528 557034572 /nfs/dbraw/zinc/03/45/72/557034572.db2.gz PRVRWOKPLXCXEV-UHFFFAOYSA-N 0 0 448.523 5.127 40 0 IKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409255689 557034637 /nfs/dbraw/zinc/03/46/37/557034637.db2.gz MSUFTBVJVOCJON-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)cc1Cl ZINC000409256009 557034660 /nfs/dbraw/zinc/03/46/60/557034660.db2.gz NGRUMJOYDXDILI-UHFFFAOYSA-N 0 0 449.765 6.585 40 0 IKABRN CCN(C(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000408546726 557035766 /nfs/dbraw/zinc/03/57/66/557035766.db2.gz OCWCVQNZIJXQEZ-UHFFFAOYSA-N 0 0 431.483 5.616 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)cc1 ZINC000408546760 557035774 /nfs/dbraw/zinc/03/57/74/557035774.db2.gz VDMIQHDEEPXDJQ-UHFFFAOYSA-N 0 0 442.049 6.604 40 0 IKABRN O=C(CSCc1ccc(Br)cc1)NCCSCc1cccc(Cl)c1 ZINC000408547542 557036075 /nfs/dbraw/zinc/03/60/75/557036075.db2.gz ZNDGTCYMBDLGQE-UHFFFAOYSA-N 0 0 444.847 5.385 40 0 IKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408553531 557036081 /nfs/dbraw/zinc/03/60/81/557036081.db2.gz AKPKTSACJJPOOU-UHFFFAOYSA-N 0 0 438.955 5.903 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408547291 557036106 /nfs/dbraw/zinc/03/61/06/557036106.db2.gz IEOKBMJPJNJODJ-JOCHJYFZSA-N 0 0 426.925 5.268 40 0 IKABRN Cc1ccc(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1Cl ZINC000409258767 557036308 /nfs/dbraw/zinc/03/63/08/557036308.db2.gz VHHVMZWYNNQCLK-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN COc1cc(C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408551143 557036337 /nfs/dbraw/zinc/03/63/37/557036337.db2.gz BXDPCSDSFMSAPU-UHFFFAOYSA-N 0 0 442.309 5.303 40 0 IKABRN COc1cc(C(=O)NCc2cccc3ccccc32)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408551684 557036401 /nfs/dbraw/zinc/03/64/01/557036401.db2.gz FJUMPCUYSXQNEU-UHFFFAOYSA-N 0 0 445.946 6.319 40 0 IKABRN CCOc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408553203 557036555 /nfs/dbraw/zinc/03/65/55/557036555.db2.gz MROYKYQSAWGCOS-UHFFFAOYSA-N 0 0 444.358 6.840 40 0 IKABRN O=C1CS[C@@H](c2c(OCc3ccccc3)ccc3ccccc32)N1c1ccc(Cl)cc1 ZINC000408555015 557036940 /nfs/dbraw/zinc/03/69/40/557036940.db2.gz GROCXMWEJCKACR-SANMLTNESA-N 0 0 445.971 6.851 40 0 IKABRN CCn1c(Sc2oc(C=O)cc2Br)nnc1-c1ccc(Cl)cc1Cl ZINC000408554758 557036956 /nfs/dbraw/zinc/03/69/56/557036956.db2.gz FJWQWCLJZQSNAL-UHFFFAOYSA-N 0 0 447.141 5.591 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000408554334 557036965 /nfs/dbraw/zinc/03/69/65/557036965.db2.gz DGPMEBIPMAKUAX-UHFFFAOYSA-N 0 0 440.927 5.377 40 0 IKABRN CCOc1cc(C(=O)Nc2cc(OC)ccc2OC)cc(Cl)c1OCc1ccccc1 ZINC000408554892 557037025 /nfs/dbraw/zinc/03/70/25/557037025.db2.gz GBNTXRGVPRICKC-UHFFFAOYSA-N 0 0 441.911 5.587 40 0 IKABRN O=C1CS[C@H](c2c(OCc3ccccc3)ccc3ccccc32)N1c1ccc(Cl)cc1 ZINC000408555014 557037031 /nfs/dbraw/zinc/03/70/31/557037031.db2.gz GROCXMWEJCKACR-AREMUKBSSA-N 0 0 445.971 6.851 40 0 IKABRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCCCCC1 ZINC000408556196 557037261 /nfs/dbraw/zinc/03/72/61/557037261.db2.gz IGHLAJXGVYATSN-UHFFFAOYSA-N 0 0 441.380 5.119 40 0 IKABRN Clc1ccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)cc1 ZINC000408556206 557037322 /nfs/dbraw/zinc/03/73/22/557037322.db2.gz IZQQDHJZHQHQLG-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN CCCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br ZINC000408556764 557037595 /nfs/dbraw/zinc/03/75/95/557037595.db2.gz KJGLOPVFTVASEC-GOSISDBHSA-N 0 0 426.763 5.670 40 0 IKABRN Clc1ccccc1COc1ccc(Br)cc1-c1nc2ccccc2s1 ZINC000409252825 557037604 /nfs/dbraw/zinc/03/76/04/557037604.db2.gz FBNWUTSOIPMTMP-UHFFFAOYSA-N 0 0 430.754 6.958 40 0 IKABRN COc1cc(C(=O)Nc2ccc(Br)cc2C)ccc1OCc1ccccc1 ZINC000408556673 557037653 /nfs/dbraw/zinc/03/76/53/557037653.db2.gz LCUBLVASRIKGNW-UHFFFAOYSA-N 0 0 426.310 5.597 40 0 IKABRN O=C(Nc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000408557713 557037798 /nfs/dbraw/zinc/03/77/98/557037798.db2.gz OKSGROKQPXEGFE-UHFFFAOYSA-N 0 0 442.968 5.310 40 0 IKABRN COc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000408557518 557037807 /nfs/dbraw/zinc/03/78/07/557037807.db2.gz OJFHYPPMDDADGM-UHFFFAOYSA-N 0 0 431.319 5.632 40 0 IKABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557836 557037919 /nfs/dbraw/zinc/03/79/19/557037919.db2.gz OEPRMSSNVGUMPC-UHFFFAOYSA-N 0 0 444.940 5.100 40 0 IKABRN CCCOc1ccc(Br)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408557459 557037929 /nfs/dbraw/zinc/03/79/29/557037929.db2.gz NQIADOPBUXPMSV-SFHVURJKSA-N 0 0 426.763 5.670 40 0 IKABRN O=C1CS[C@@H](c2ccccc2OCc2cccc(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408557746 557037941 /nfs/dbraw/zinc/03/79/41/557037941.db2.gz OQFIFRMUMBCTHH-QFIPXVFZSA-N 0 0 430.356 6.351 40 0 IKABRN CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409221412 557037976 /nfs/dbraw/zinc/03/79/76/557037976.db2.gz PXPZIRFXNQZIKU-OOIIIRTPSA-N 0 0 449.732 5.377 40 0 IKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1 ZINC000408558205 557038177 /nfs/dbraw/zinc/03/81/77/557038177.db2.gz SFSHZVYFNUMTKA-UHFFFAOYSA-N 0 0 440.927 5.295 40 0 IKABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1F ZINC000408558281 557038282 /nfs/dbraw/zinc/03/82/82/557038282.db2.gz SRWSUQWUJZMBPT-UHFFFAOYSA-N 0 0 428.891 5.426 40 0 IKABRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 ZINC000408559008 557038482 /nfs/dbraw/zinc/03/84/82/557038482.db2.gz WYFFHMMGEJVZLF-XMMPIXPASA-N 0 0 439.964 6.015 40 0 IKABRN O=C1CS[C@H](c2cc(Cl)ccc2OCc2ccccc2)N1c1ccc(Cl)cc1 ZINC000408559181 557038515 /nfs/dbraw/zinc/03/85/15/557038515.db2.gz XUGPBBUKXHHDKH-JOCHJYFZSA-N 0 0 430.356 6.351 40 0 IKABRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 ZINC000408559002 557038523 /nfs/dbraw/zinc/03/85/23/557038523.db2.gz WYFFHMMGEJVZLF-DEOSSOPVSA-N 0 0 439.964 6.015 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408563655 557038788 /nfs/dbraw/zinc/03/87/88/557038788.db2.gz WDFBWTVZMFFIAU-PNHLSOANSA-N 0 0 441.040 6.881 40 0 IKABRN CCCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OCC ZINC000408559541 557038835 /nfs/dbraw/zinc/03/88/35/557038835.db2.gz VTLDTQVHLQABDO-UHFFFAOYSA-N 0 0 433.173 6.556 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(C)cc1 ZINC000408564132 557039069 /nfs/dbraw/zinc/03/90/69/557039069.db2.gz YDOJLYFVIREHCB-LNVKXUELSA-N 0 0 429.383 5.611 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(Br)cc1 ZINC000408564068 557039093 /nfs/dbraw/zinc/03/90/93/557039093.db2.gz XKHWHDIAETUFND-LNVKXUELSA-N 0 0 429.383 5.693 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408563715 557039101 /nfs/dbraw/zinc/03/91/01/557039101.db2.gz WWBCPFXYYCKXGR-LVWGJNHUSA-N 0 0 433.404 6.545 40 0 IKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408563706 557039126 /nfs/dbraw/zinc/03/91/26/557039126.db2.gz OFIYOQLXXMYSHP-UHFFFAOYSA-N 0 0 444.015 6.819 40 0 IKABRN O=C(CSCc1ccccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408563739 557039133 /nfs/dbraw/zinc/03/91/33/557039133.db2.gz OZUZORBYXXBZOE-UHFFFAOYSA-N 0 0 430.356 6.096 40 0 IKABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)N[C@@H](C)c1ccccc1 ZINC000408560821 557039381 /nfs/dbraw/zinc/03/93/81/557039381.db2.gz PIDBQIVEEQBXHR-SFHVURJKSA-N 0 0 430.577 5.012 40 0 IKABRN CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409268000 557039926 /nfs/dbraw/zinc/03/99/26/557039926.db2.gz XQSJXOKEQUWRHO-UHFFFAOYSA-N 0 0 445.346 6.022 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(Br)cc1 ZINC000408561334 557039968 /nfs/dbraw/zinc/03/99/68/557039968.db2.gz HXPIMUOCIRNFKO-LNVKXUELSA-N 0 0 429.383 5.611 40 0 IKABRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cccc(Br)c1 ZINC000408561546 557039971 /nfs/dbraw/zinc/03/99/71/557039971.db2.gz JKXKXYKCYKJBIO-QOCHGBHMSA-N 0 0 435.774 5.702 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(OC)c(Br)c2)n(CC)c1-c1ccccc1 ZINC000408561978 557040001 /nfs/dbraw/zinc/04/00/01/557040001.db2.gz MHVUCOGHSKSUAG-LNVKXUELSA-N 0 0 445.382 5.311 40 0 IKABRN COc1cc(-c2nc3ccccc3s2)ccc1OCCSc1cccc2ccccc21 ZINC000409259825 557040244 /nfs/dbraw/zinc/04/02/44/557040244.db2.gz GCIPFIGSAIQQIJ-UHFFFAOYSA-N 0 0 443.593 7.296 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562162 557040294 /nfs/dbraw/zinc/04/02/94/557040294.db2.gz NORGFBJURIVYNE-LVWGJNHUSA-N 0 0 449.403 6.246 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(C)cc1 ZINC000408562307 557040307 /nfs/dbraw/zinc/04/03/07/557040307.db2.gz OTHFWPNEBKTJRG-GYHWCHFESA-N 0 0 443.410 6.001 40 0 IKABRN O=C(CSCc1c(F)cccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408562547 557040327 /nfs/dbraw/zinc/04/03/27/557040327.db2.gz ANIULLFNYZVHBU-UHFFFAOYSA-N 0 0 446.897 5.080 40 0 IKABRN CCc1sc(=NC(=O)C(c2ccccc2)c2ccccc2)n(CC)c1-c1ccc(C)cc1 ZINC000408562333 557040332 /nfs/dbraw/zinc/04/03/32/557040332.db2.gz OXVNDLDWDCZIRJ-ZIADKAODSA-N 0 0 440.612 6.367 40 0 IKABRN CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408563159 557040420 /nfs/dbraw/zinc/04/04/20/557040420.db2.gz UJWCPTYXKNBXHR-GYHWCHFESA-N 0 0 443.410 5.919 40 0 IKABRN O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408562911 557040463 /nfs/dbraw/zinc/04/04/63/557040463.db2.gz GSWHLRPKYDTGTN-OBOROZHESA-N 0 0 442.990 5.738 40 0 IKABRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCCCC1 ZINC000408562594 557040499 /nfs/dbraw/zinc/04/04/99/557040499.db2.gz CXJIOGZIIDBBPV-UHFFFAOYSA-N 0 0 437.392 5.491 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000409260615 557040521 /nfs/dbraw/zinc/04/05/21/557040521.db2.gz SUBKEPMHIFKNFM-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN CCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)N1 ZINC000408562845 557040513 /nfs/dbraw/zinc/04/05/13/557040513.db2.gz DZPVQRCRVBBFRQ-QFIPXVFZSA-N 0 0 434.458 5.217 40 0 IKABRN CCn1c(-c2ccc(C)cc2)c(C)sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408563379 557040744 /nfs/dbraw/zinc/04/07/44/557040744.db2.gz VONQIIFKRVIQRA-DQSJHHFOSA-N 0 0 426.585 6.113 40 0 IKABRN COc1cccc(C(=S)NC[C@@H]2CCCO2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408571670 557040868 /nfs/dbraw/zinc/04/08/68/557040868.db2.gz CGIRVNQBRXQAQT-AWEZNQCLSA-N 0 0 426.365 5.025 40 0 IKABRN COc1cc(-c2nc3ccccc3s2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409262014 557040817 /nfs/dbraw/zinc/04/08/17/557040817.db2.gz HARBTCJHMLYPQP-UHFFFAOYSA-N 0 0 444.325 6.453 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408572043 557040923 /nfs/dbraw/zinc/04/09/23/557040923.db2.gz DXZHJOPGZZDFPQ-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN S=C(NCc1ccccc1)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408572295 557041028 /nfs/dbraw/zinc/04/10/28/557041028.db2.gz FWJALPYWOOGWOI-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409263858 557041158 /nfs/dbraw/zinc/04/11/58/557041158.db2.gz MYPYQBJRFZHEFP-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 ZINC000408572620 557041149 /nfs/dbraw/zinc/04/11/49/557041149.db2.gz HKOFXMQTKRZWGQ-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCOc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000409263757 557041179 /nfs/dbraw/zinc/04/11/79/557041179.db2.gz BXCHTSPHCNJUAU-UHFFFAOYSA-N 0 0 445.346 6.022 40 0 IKABRN COc1cc(C(=S)NCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408573200 557041298 /nfs/dbraw/zinc/04/12/98/557041298.db2.gz IZKQSTRYHCZXCC-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000408573080 557041375 /nfs/dbraw/zinc/04/13/75/557041375.db2.gz LRUPVOXODABJSW-JQIJEIRASA-N 0 0 447.560 5.602 40 0 IKABRN S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408573295 557041394 /nfs/dbraw/zinc/04/13/94/557041394.db2.gz JREYPVURJJGSBM-UHFFFAOYSA-N 0 0 446.355 5.766 40 0 IKABRN S=C(NCc1ccccc1Cl)c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408573201 557041418 /nfs/dbraw/zinc/04/14/18/557041418.db2.gz IZTMUDBWMBBXHR-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN COc1cccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408572783 557041424 /nfs/dbraw/zinc/04/14/24/557041424.db2.gz IGXDUMVDJFDHGV-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408572772 557041428 /nfs/dbraw/zinc/04/14/28/557041428.db2.gz ICMIWDTZQLSNBK-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCOc1cc(C(=S)NCc2ccco2)ccc1OCc1c(Cl)cccc1Cl ZINC000408573266 557041440 /nfs/dbraw/zinc/04/14/40/557041440.db2.gz JMZIJJGCUNPIIM-UHFFFAOYSA-N 0 0 436.360 6.029 40 0 IKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1C ZINC000408568354 557041645 /nfs/dbraw/zinc/04/16/45/557041645.db2.gz SVNCDPHSPCJUTK-UHFFFAOYSA-N 0 0 441.163 5.951 40 0 IKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408568953 557041748 /nfs/dbraw/zinc/04/17/48/557041748.db2.gz VKDKLNGVSFKVML-UHFFFAOYSA-N 0 0 434.964 5.367 40 0 IKABRN COc1cccc(CNC(=S)c2cccc(OC)c2OCc2ccccc2Cl)c1 ZINC000408575269 557042279 /nfs/dbraw/zinc/04/22/79/557042279.db2.gz NOPXKOGMXDYHAD-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN S=C(c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)N1CCCC1 ZINC000408571498 557042318 /nfs/dbraw/zinc/04/23/18/557042318.db2.gz BHXTXZJNZDNHMU-UHFFFAOYSA-N 0 0 445.209 6.106 40 0 IKABRN COc1cccc(CNC(=S)c2cccc(OC)c2OCc2c(F)cccc2Cl)c1 ZINC000408571283 557042365 /nfs/dbraw/zinc/04/23/65/557042365.db2.gz AVYBXIZMOYDIHO-UHFFFAOYSA-N 0 0 445.943 5.541 40 0 IKABRN COc1ccc(CCNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000408571333 557042376 /nfs/dbraw/zinc/04/23/76/557042376.db2.gz BCTLWASMMXICAU-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN CCOc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000408575226 557042383 /nfs/dbraw/zinc/04/23/83/557042383.db2.gz NHPSHIBGHIDTFN-UHFFFAOYSA-N 0 0 445.628 6.295 40 0 IKABRN COc1cc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c(OC)cc1Cl ZINC000408573963 557042682 /nfs/dbraw/zinc/04/26/82/557042682.db2.gz GEHVXIHLMOJSLO-SFQUDFHCSA-N 0 0 428.315 6.190 40 0 IKABRN COc1cc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(OC)cc1Cl ZINC000408574599 557042921 /nfs/dbraw/zinc/04/29/21/557042921.db2.gz IUPLICHBUOANQJ-UHFFFAOYSA-N 0 0 448.371 6.555 40 0 IKABRN COc1cc(C(=S)NCc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408574316 557042984 /nfs/dbraw/zinc/04/29/84/557042984.db2.gz LTVMRFAAROEJRW-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN COc1ccc(CCNC(=S)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000408576746 557043121 /nfs/dbraw/zinc/04/31/21/557043121.db2.gz QWSRFWRMUAYONY-UHFFFAOYSA-N 0 0 429.944 5.575 40 0 IKABRN O=C(CSCc1c(Cl)cccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408577107 557043189 /nfs/dbraw/zinc/04/31/89/557043189.db2.gz WNVKHVKTYRADDH-VMPITWQZSA-N 0 0 435.420 5.084 40 0 IKABRN COc1cccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 ZINC000408577208 557043269 /nfs/dbraw/zinc/04/32/69/557043269.db2.gz RWYNMVYHALTKPJ-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccc(Cl)cc1 ZINC000408577238 557043317 /nfs/dbraw/zinc/04/33/17/557043317.db2.gz SAVJGYFLFNMUKK-UHFFFAOYSA-N 0 0 425.981 6.091 40 0 IKABRN CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1c(Cl)cccc1Cl ZINC000408577676 557043695 /nfs/dbraw/zinc/04/36/95/557043695.db2.gz UFWOWTSWPZRJDX-UHFFFAOYSA-N 0 0 438.420 6.379 40 0 IKABRN COc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000408577852 557043704 /nfs/dbraw/zinc/04/37/04/557043704.db2.gz UVNSRYBROKKMFG-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1)N1CCCCCC1 ZINC000408584645 557043718 /nfs/dbraw/zinc/04/37/18/557043718.db2.gz SNFLTZYDXMJFRC-UHFFFAOYSA-N 0 0 442.368 5.202 40 0 IKABRN S=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000408578295 557043875 /nfs/dbraw/zinc/04/38/75/557043875.db2.gz XGUURBAGESPXCF-UHFFFAOYSA-N 0 0 436.020 6.549 40 0 IKABRN S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408578154 557043899 /nfs/dbraw/zinc/04/38/99/557043899.db2.gz WEYRJYBMUNXRLE-UHFFFAOYSA-N 0 0 446.797 6.147 40 0 IKABRN COc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408578119 557043914 /nfs/dbraw/zinc/04/39/14/557043914.db2.gz VSFFOYNQEUFYRI-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCOc1cc(C(=S)NCc2cccc(OC)c2)ccc1OCc1ccccc1Cl ZINC000408578408 557043964 /nfs/dbraw/zinc/04/39/64/557043964.db2.gz YDEKKRPAFCITTN-UHFFFAOYSA-N 0 0 441.980 5.792 40 0 IKABRN CCOc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl ZINC000408578519 557044342 /nfs/dbraw/zinc/04/43/42/557044342.db2.gz YIQCMOFZZVTVEE-HNNXBMFYSA-N 0 0 440.392 5.415 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000408579201 557044506 /nfs/dbraw/zinc/04/45/06/557044506.db2.gz DPZHCSYOLAEODJ-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408579863 557044546 /nfs/dbraw/zinc/04/45/46/557044546.db2.gz KSXLJXQDBFDXLL-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN COCCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409223313 557044713 /nfs/dbraw/zinc/04/47/13/557044713.db2.gz FFAXSUWFJCOMPD-HYARGMPZSA-N 0 0 438.524 5.210 40 0 IKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000408581638 557044821 /nfs/dbraw/zinc/04/48/21/557044821.db2.gz YFLLZRZSWSYGBQ-UHFFFAOYSA-N 0 0 435.774 6.349 40 0 IKABRN Cc1ccc(-c2cc(C)nc(SCc3nc(=O)c4c5c(sc4[nH]3)CCCC5)n2)cc1 ZINC000408583693 557045179 /nfs/dbraw/zinc/04/51/79/557045179.db2.gz WRJOVVRRQIDYMI-UHFFFAOYSA-N 0 0 434.590 5.642 40 0 IKABRN CCOc1cc(C(=S)NCCc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 ZINC000408575495 557045190 /nfs/dbraw/zinc/04/51/90/557045190.db2.gz OOCIGLYFFDLQEG-UHFFFAOYSA-N 0 0 439.552 5.320 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408575423 557045202 /nfs/dbraw/zinc/04/52/02/557045202.db2.gz OGHMGSRENJHBPQ-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCN(CC)C(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408575528 557045206 /nfs/dbraw/zinc/04/52/06/557045206.db2.gz NUJAKMSQHBLBEF-RELWKKBWSA-N 0 0 432.951 6.001 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408575731 557045533 /nfs/dbraw/zinc/04/55/33/557045533.db2.gz PZUJKHXUCYVXPX-UHFFFAOYSA-N 0 0 443.999 7.152 40 0 IKABRN CCCCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000408586545 557045887 /nfs/dbraw/zinc/04/58/87/557045887.db2.gz NQQGYHNCFBTDJC-UHFFFAOYSA-N 0 0 425.706 5.321 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1)N1CCCCCC1 ZINC000408584907 557045932 /nfs/dbraw/zinc/04/59/32/557045932.db2.gz WLNLXCUAFHNQRM-UHFFFAOYSA-N 0 0 442.368 5.202 40 0 IKABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc3nc(-c4ccccc4)oc3c2)cc1 ZINC000205414249 557046011 /nfs/dbraw/zinc/04/60/11/557046011.db2.gz BZOWWKVCNZWOAY-UHFFFAOYSA-N 0 0 431.517 5.409 40 0 IKABRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1O[C@H](C)CC ZINC000409224385 557046519 /nfs/dbraw/zinc/04/65/19/557046519.db2.gz JTQXYTJTCFIXIE-CAUNFOBBSA-N 0 0 439.533 5.182 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1cc(Br)ccc1OCc1ccccc1 ZINC000408589099 557048901 /nfs/dbraw/zinc/04/89/01/557048901.db2.gz YPEQXSAONXQOQN-UHFFFAOYSA-N 0 0 430.729 6.242 40 0 IKABRN Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)c1 ZINC000409226255 557050317 /nfs/dbraw/zinc/05/03/17/557050317.db2.gz MHUXOVIYZWAOOF-ODLFYWEKSA-N 0 0 427.287 5.655 40 0 IKABRN CC1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000409230159 557056064 /nfs/dbraw/zinc/05/60/64/557056064.db2.gz CBKKEDRKTZPDIS-UHFFFAOYSA-N 0 0 437.392 5.418 40 0 IKABRN O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000408597128 557056418 /nfs/dbraw/zinc/05/64/18/557056418.db2.gz WOWXFCRVWFHOES-UHFFFAOYSA-N 0 0 438.561 5.536 40 0 IKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000408597152 557056710 /nfs/dbraw/zinc/05/67/10/557056710.db2.gz XNTZJPULXGLVFV-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000408597943 557057091 /nfs/dbraw/zinc/05/70/91/557057091.db2.gz WVWBQKMMXOCNJM-UHFFFAOYSA-N 0 0 429.339 5.378 40 0 IKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000408593529 557057101 /nfs/dbraw/zinc/05/71/01/557057101.db2.gz AQRMEGAYXGIVOE-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000408595081 557058704 /nfs/dbraw/zinc/05/87/04/557058704.db2.gz KHPQGFCCLFZCIL-UHFFFAOYSA-N 0 0 433.533 5.014 40 0 IKABRN CC(C)c1cc(Br)ccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000408596376 557059833 /nfs/dbraw/zinc/05/98/33/557059833.db2.gz RWRBOSLWOWMEGI-UHFFFAOYSA-N 0 0 446.197 6.006 40 0 IKABRN COc1ccc(CCCc2nnc(SCc3ccc(Br)cc3)n2C)cc1C ZINC000409327937 557062321 /nfs/dbraw/zinc/06/23/21/557062321.db2.gz NSXZDYMRSBPBFR-UHFFFAOYSA-N 0 0 446.414 5.362 40 0 IKABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000408599445 557063136 /nfs/dbraw/zinc/06/31/36/557063136.db2.gz HIQPPDZQUJIHLM-VXLYETTFSA-N 0 0 436.360 6.265 40 0 IKABRN O=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1c(F)cccc1Cl ZINC000408599645 557063414 /nfs/dbraw/zinc/06/34/14/557063414.db2.gz IPMTYCKJYYLDCN-OCKHKDLRSA-N 0 0 449.837 6.254 40 0 IKABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1ccc(F)cc1)C[C@@H](C(C)(C)C)CC2 ZINC000408599768 557063468 /nfs/dbraw/zinc/06/34/68/557063468.db2.gz KPNYDZYFVXYHGJ-AWEZNQCLSA-N 0 0 449.613 5.946 40 0 IKABRN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cc(Cl)ccc1O ZINC000408599870 557063686 /nfs/dbraw/zinc/06/36/86/557063686.db2.gz NHXFKGHMZAMZPC-UHFFFAOYSA-N 0 0 448.935 5.295 40 0 IKABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000408599836 557063850 /nfs/dbraw/zinc/06/38/50/557063850.db2.gz MCFDYGCPDWLZOH-DJKKODMXSA-N 0 0 436.360 6.265 40 0 IKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(C)C)C2=O)cc1C ZINC000408600137 557064544 /nfs/dbraw/zinc/06/45/44/557064544.db2.gz VMFAPMUCHUEEKJ-CIAFOILYSA-N 0 0 438.549 5.013 40 0 IKABRN Cc1cc(Br)ccc1NCc1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408610957 557065173 /nfs/dbraw/zinc/06/51/73/557065173.db2.gz PFBVCSAEWCXVDQ-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN Cc1cc(Br)ccc1NCc1ccc(OCc2cccc3ccccc32)cc1 ZINC000408613438 557067956 /nfs/dbraw/zinc/06/79/56/557067956.db2.gz UGYYDGKEJXQRAC-UHFFFAOYSA-N 0 0 432.361 7.102 40 0 IKABRN CC(C)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1Br ZINC000408601935 557068579 /nfs/dbraw/zinc/06/85/79/557068579.db2.gz MGPSRHQSTYFBSY-YBFXNURJSA-N 0 0 446.366 5.720 40 0 IKABRN O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccccc1Cl ZINC000408600955 557068604 /nfs/dbraw/zinc/06/86/04/557068604.db2.gz HSFSNHJKVKSGNH-VXLYETTFSA-N 0 0 431.847 6.115 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(F)cc3)o2)C1=O)c1ccc(Cl)cc1 ZINC000409340981 557068686 /nfs/dbraw/zinc/06/86/86/557068686.db2.gz BRVJVAGMYZWSNM-JAIQZWGSSA-N 0 0 441.867 5.658 40 0 IKABRN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000408603369 557068841 /nfs/dbraw/zinc/06/88/41/557068841.db2.gz GDMSQUZODWOHIH-OAQYLSRUSA-N 0 0 438.936 5.093 40 0 IKABRN CC(C)c1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000409341399 557069013 /nfs/dbraw/zinc/06/90/13/557069013.db2.gz BPMQWEUVJHLKJO-GDLZYMKVSA-N 0 0 432.567 7.176 40 0 IKABRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000409341632 557069053 /nfs/dbraw/zinc/06/90/53/557069053.db2.gz FCGQDJBKGLLQGK-CFRMEGHHSA-N 0 0 445.584 6.404 40 0 IKABRN Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(Br)cc2C)cc1 ZINC000408605472 557069472 /nfs/dbraw/zinc/06/94/72/557069472.db2.gz HHRRKMRALOLITM-UHFFFAOYSA-N 0 0 446.388 7.410 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(C)C ZINC000409342807 557070310 /nfs/dbraw/zinc/07/03/10/557070310.db2.gz GVBJGJPRXNPGAQ-UDWIEESQSA-N 0 0 431.941 6.014 40 0 IKABRN C[C@@H](CCc1ccccc1)NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408622523 557071056 /nfs/dbraw/zinc/07/10/56/557071056.db2.gz QXOXBOWRCVYOIJ-SFHVURJKSA-N 0 0 430.935 5.580 40 0 IKABRN CCOc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000408624092 557071192 /nfs/dbraw/zinc/07/11/92/557071192.db2.gz FHVLBJWMMNHKAJ-UHFFFAOYSA-N 0 0 431.941 5.143 40 0 IKABRN COc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccccc1 ZINC000408623354 557071322 /nfs/dbraw/zinc/07/13/22/557071322.db2.gz SQPZYMCGAZLQOK-UHFFFAOYSA-N 0 0 426.310 5.597 40 0 IKABRN CCCCCCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)N=C2N=CNN21 ZINC000408625060 557071577 /nfs/dbraw/zinc/07/15/77/557071577.db2.gz HYQJZANTVHFEGX-XMMPIXPASA-N 0 0 445.567 5.126 40 0 IKABRN CCCOc1c(Br)cc(C(=O)Nc2c(C)cccc2Cl)cc1OCC ZINC000408625894 557071792 /nfs/dbraw/zinc/07/17/92/557071792.db2.gz YQBDMJHSTMKBBO-UHFFFAOYSA-N 0 0 426.738 5.851 40 0 IKABRN CSc1nc2sc(C(=O)Nc3ccc(Cl)cc3Cl)cc2c(N2CCCC2)n1 ZINC000408626174 557071801 /nfs/dbraw/zinc/07/18/01/557071801.db2.gz ZWXGJNFEHSAAED-UHFFFAOYSA-N 0 0 439.393 5.573 40 0 IKABRN CCCCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409344757 557071907 /nfs/dbraw/zinc/07/19/07/557071907.db2.gz KGWJFDKUSIGLPF-MOSHPQCFSA-N 0 0 429.925 5.438 40 0 IKABRN COc1cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)ccc1OCc1ccccc1 ZINC000408625810 557071973 /nfs/dbraw/zinc/07/19/73/557071973.db2.gz YFMMOXPWYXHSET-UHFFFAOYSA-N 0 0 439.511 6.627 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OC ZINC000408626166 557071991 /nfs/dbraw/zinc/07/19/91/557071991.db2.gz ZUXDSQYLOPCVRQ-UHFFFAOYSA-N 0 0 440.765 6.276 40 0 IKABRN CCOc1ccccc1N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(OC)cc1 ZINC000408628050 557072241 /nfs/dbraw/zinc/07/22/41/557072241.db2.gz SEGXGOLCCUXDRE-UHFFFAOYSA-N 0 0 431.941 5.143 40 0 IKABRN COc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccc(F)cc2)cc1 ZINC000408628295 557072271 /nfs/dbraw/zinc/07/22/71/557072271.db2.gz WDKNFBASODOVMH-UHFFFAOYSA-N 0 0 440.323 5.537 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC000409335359 557072507 /nfs/dbraw/zinc/07/25/07/557072507.db2.gz WFBFKPZGCCEFJJ-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN CC(C)Oc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O ZINC000409338523 557073455 /nfs/dbraw/zinc/07/34/55/557073455.db2.gz LIQDAPYTCBAGSA-BKUYFWCQSA-N 0 0 438.549 5.272 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000409338301 557073459 /nfs/dbraw/zinc/07/34/59/557073459.db2.gz HLOWSZNZEFACII-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000408614757 557073800 /nfs/dbraw/zinc/07/38/00/557073800.db2.gz HHMYCHLTXZITSO-UHFFFAOYSA-N 0 0 429.303 5.184 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2cccc(Cl)c2)cc1 ZINC000408617106 557074911 /nfs/dbraw/zinc/07/49/11/557074911.db2.gz HPBJCHNTARDIDU-UHFFFAOYSA-N 0 0 449.016 5.073 40 0 IKABRN CCCOc1c(Br)cc(/C=C2\SC(=O)N(CCC)C2=O)cc1OCC ZINC000409346239 557075025 /nfs/dbraw/zinc/07/50/25/557075025.db2.gz LNLQYKVCLHBTEE-PTNGSMBKSA-N 0 0 428.348 5.083 40 0 IKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000408617455 557074983 /nfs/dbraw/zinc/07/49/83/557074983.db2.gz AMTKOIYECYDMTN-PJYWLYPCSA-N 0 0 448.349 5.738 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc(Cl)c1OC ZINC000408618176 557075243 /nfs/dbraw/zinc/07/52/43/557075243.db2.gz DTVBUKFVBCGHEC-UHFFFAOYSA-N 0 0 427.884 5.801 40 0 IKABRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000408620389 557075571 /nfs/dbraw/zinc/07/55/71/557075571.db2.gz IOAXOXSRBSARRE-IYZJKTGWSA-N 0 0 434.322 5.564 40 0 IKABRN COc1ccccc1Oc1ccc(C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000408621742 557076021 /nfs/dbraw/zinc/07/60/21/557076021.db2.gz PJGNPJYCADIEBF-UHFFFAOYSA-N 0 0 439.294 7.285 40 0 IKABRN O=C(NC1CCCCCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408621429 557076051 /nfs/dbraw/zinc/07/60/51/557076051.db2.gz RVJPDCYZQJDGEL-AREMUKBSSA-N 0 0 436.621 5.346 40 0 IKABRN CSc1nc2sc(C(=O)Nc3ccc(Br)cc3)cc2c(N2CCCC2)n1 ZINC000408620866 557076078 /nfs/dbraw/zinc/07/60/78/557076078.db2.gz MOPUYHFVKAGAAE-UHFFFAOYSA-N 0 0 449.399 5.028 40 0 IKABRN CCc1cccc(CC)c1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408622405 557076323 /nfs/dbraw/zinc/07/63/23/557076323.db2.gz PZSKYKDLHAPERW-UHFFFAOYSA-N 0 0 430.935 6.206 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408635589 557077224 /nfs/dbraw/zinc/07/72/24/557077224.db2.gz FMAVADPUPADFCQ-UHFFFAOYSA-N 0 0 439.298 5.743 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408636061 557077531 /nfs/dbraw/zinc/07/75/31/557077531.db2.gz KVCZAJUSRPJEOO-UHFFFAOYSA-N 0 0 442.824 6.100 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)c1cc2c(nc(SC)nc2N2CCCCC2)s1 ZINC000408636252 557077662 /nfs/dbraw/zinc/07/76/62/557077662.db2.gz MUKAVRZSOVNKTH-UHFFFAOYSA-N 0 0 449.001 5.318 40 0 IKABRN CSc1nc2sc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c(N2CCCC2)n1 ZINC000408636649 557077720 /nfs/dbraw/zinc/07/77/20/557077720.db2.gz SBAHCYAKUZAHFR-UHFFFAOYSA-N 0 0 438.500 5.285 40 0 IKABRN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2cccc3ccccc32)o1 ZINC000408636840 557077755 /nfs/dbraw/zinc/07/77/55/557077755.db2.gz DEAWPMRETDZZNE-UHFFFAOYSA-N 0 0 439.924 5.494 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)cc1C ZINC000408638176 557078682 /nfs/dbraw/zinc/07/86/82/557078682.db2.gz CDSZFBMIICYUSE-IFMALSPDSA-N 0 0 428.532 5.644 40 0 IKABRN Fc1cccc(Cl)c1COc1ccc(Br)cc1-c1nc2ccccc2s1 ZINC000409263755 557078806 /nfs/dbraw/zinc/07/88/06/557078806.db2.gz MLKVGRNFGTYYLH-UHFFFAOYSA-N 0 0 448.744 7.097 40 0 IKABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)c1 ZINC000408639353 557078921 /nfs/dbraw/zinc/07/89/21/557078921.db2.gz FUPGZANTFYMKSB-QFIPXVFZSA-N 0 0 436.511 5.932 40 0 IKABRN COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OCc1ccc(Cl)cc1Cl ZINC000409264473 557078911 /nfs/dbraw/zinc/07/89/11/557078911.db2.gz FXXDIQKYCIOQDD-UHFFFAOYSA-N 0 0 427.287 5.897 40 0 IKABRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 ZINC000408639682 557078970 /nfs/dbraw/zinc/07/89/70/557078970.db2.gz GVCWQBBKIXXNEP-HXUWFJFHSA-N 0 0 444.531 5.486 40 0 IKABRN CC1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)CC1 ZINC000409238375 557079174 /nfs/dbraw/zinc/07/91/74/557079174.db2.gz NIAFDCWMIJBFTB-UHFFFAOYSA-N 0 0 437.392 5.418 40 0 IKABRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)c1 ZINC000408640752 557079159 /nfs/dbraw/zinc/07/91/59/557079159.db2.gz IQUIMHQMCAJGEC-FQEVSTJZSA-N 0 0 428.532 5.902 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000409238918 557079234 /nfs/dbraw/zinc/07/92/34/557079234.db2.gz OJVMLJOTHBTSMM-XDHOZWIPSA-N 0 0 449.931 5.903 40 0 IKABRN COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O ZINC000408640741 557079278 /nfs/dbraw/zinc/07/92/78/557079278.db2.gz IPOKNEQWXJTATP-INIZCTEOSA-N 0 0 436.895 5.133 40 0 IKABRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2)cc1 ZINC000409239824 557079418 /nfs/dbraw/zinc/07/94/18/557079418.db2.gz FLMMSCMOFMLJDF-HMAPJEAMSA-N 0 0 435.545 6.522 40 0 IKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O ZINC000408640880 557079457 /nfs/dbraw/zinc/07/94/57/557079457.db2.gz KCZPXUQCVRHHOS-JOCHJYFZSA-N 0 0 442.559 5.904 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)cc1C ZINC000408640862 557079512 /nfs/dbraw/zinc/07/95/12/557079512.db2.gz KARISZSTXVQOBS-GOSISDBHSA-N 0 0 434.923 5.741 40 0 IKABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc(C(C)(C)C)cc1)N2 ZINC000409352536 557079646 /nfs/dbraw/zinc/07/96/46/557079646.db2.gz DEKHUCXCUOCCPU-PNCHPQGNSA-N 0 0 438.534 5.899 40 0 IKABRN Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccccc4Cl)C3=O)cc2)cc1 ZINC000409241998 557079713 /nfs/dbraw/zinc/07/97/13/557079713.db2.gz ZSULIZDIFPLPPO-HMAPJEAMSA-N 0 0 434.948 5.893 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000409243959 557080016 /nfs/dbraw/zinc/08/00/16/557080016.db2.gz ZRVLNSQVUMEQFA-DDLUMYACSA-N 0 0 442.943 5.317 40 0 IKABRN Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2)cc1 ZINC000409243555 557080076 /nfs/dbraw/zinc/08/00/76/557080076.db2.gz SKMBPXKAGKUWDR-XDHOZWIPSA-N 0 0 427.547 5.134 40 0 IKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000408641733 557080219 /nfs/dbraw/zinc/08/02/19/557080219.db2.gz MKHGEGYPBRTIEK-OAHLLOKOSA-N 0 0 438.877 5.475 40 0 IKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000408641732 557080299 /nfs/dbraw/zinc/08/02/99/557080299.db2.gz MKHGEGYPBRTIEK-HNNXBMFYSA-N 0 0 438.877 5.475 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)cc1Cl ZINC000408641674 557080326 /nfs/dbraw/zinc/08/03/26/557080326.db2.gz KYQOTGNQHVGDEJ-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O ZINC000408642371 557080525 /nfs/dbraw/zinc/08/05/25/557080525.db2.gz OGYQDJZXAMTVPA-LJQANCHMSA-N 0 0 430.504 5.178 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)cc1 ZINC000408642647 557080526 /nfs/dbraw/zinc/08/05/26/557080526.db2.gz PIJNEKPQKFASII-GOSISDBHSA-N 0 0 434.923 5.741 40 0 IKABRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1Br ZINC000408642186 557080561 /nfs/dbraw/zinc/08/05/61/557080561.db2.gz MCJCTGWZSKOERE-NSHDSACASA-N 0 0 442.140 5.056 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc5ccccc54)C3)cc2)c1 ZINC000408642046 557080568 /nfs/dbraw/zinc/08/05/68/557080568.db2.gz NHOJCRGXCUPSAZ-NRFANRHFSA-N 0 0 436.511 5.932 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)cc1C ZINC000408642066 557080577 /nfs/dbraw/zinc/08/05/77/557080577.db2.gz NPEYABCQJVMMRQ-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000408643244 557080796 /nfs/dbraw/zinc/08/07/96/557080796.db2.gz QUFGRZGDSIZPPK-NRFANRHFSA-N 0 0 436.511 5.932 40 0 IKABRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408643929 557080827 /nfs/dbraw/zinc/08/08/27/557080827.db2.gz RZXAUZHDRPVENI-OAHLLOKOSA-N 0 0 441.314 5.777 40 0 IKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000408644561 557080893 /nfs/dbraw/zinc/08/08/93/557080893.db2.gz GUXQGZGBNYPQNP-VIFPVBQESA-N 0 0 437.106 5.249 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3C)cc2Cl)cc1Cl ZINC000409252110 557081001 /nfs/dbraw/zinc/08/10/01/557081001.db2.gz SOWRPULHDNGCLE-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN 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/nfs/dbraw/zinc/08/26/86/557082686.db2.gz SQKPTAXPPZCYIL-UHFFFAOYSA-N 0 0 431.113 5.168 40 0 IKABRN O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)Nc1cccc2ccccc21 ZINC000409362323 557082875 /nfs/dbraw/zinc/08/28/75/557082875.db2.gz UVHDPTUHDCUJIY-HZHRSRAPSA-N 0 0 438.508 5.668 40 0 IKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C)c3ccccc3n2)cc1 ZINC000408648181 557082980 /nfs/dbraw/zinc/08/29/80/557082980.db2.gz VSNOFMUEWNLOOX-UHFFFAOYSA-N 0 0 444.918 5.968 40 0 IKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1 ZINC000408648765 557083023 /nfs/dbraw/zinc/08/30/23/557083023.db2.gz ZJFMPSFYMDEMIH-UHFFFAOYSA-N 0 0 444.918 5.968 40 0 IKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O ZINC000408648542 557083086 /nfs/dbraw/zinc/08/30/86/557083086.db2.gz YOIINKIDHAJLKL-JOCHJYFZSA-N 0 0 442.559 5.904 40 0 IKABRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c(C)cc1Br ZINC000408648470 557083139 /nfs/dbraw/zinc/08/31/39/557083139.db2.gz YGPNKLFSSOFZGC-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000408649792 557083329 /nfs/dbraw/zinc/08/33/29/557083329.db2.gz AHOWJKBWDMQEAL-QFIPXVFZSA-N 0 0 449.550 6.124 40 0 IKABRN Cc1c(Br)ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)c1C ZINC000408646054 557083747 /nfs/dbraw/zinc/08/37/47/557083747.db2.gz VKROJRNSFHVINP-KRWDZBQOSA-N 0 0 437.337 5.211 40 0 IKABRN Cc1c(Br)ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)c1C ZINC000408646059 557083829 /nfs/dbraw/zinc/08/38/29/557083829.db2.gz VKROJRNSFHVINP-QGZVFWFLSA-N 0 0 437.337 5.211 40 0 IKABRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)c1 ZINC000408646060 557084136 /nfs/dbraw/zinc/08/41/36/557084136.db2.gz SXNMLTPSKXVRRE-QFIPXVFZSA-N 0 0 442.559 5.898 40 0 IKABRN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1 ZINC000408646145 557084144 /nfs/dbraw/zinc/08/41/44/557084144.db2.gz VPTZQVLBHVAWIK-GOSISDBHSA-N 0 0 434.923 5.686 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000408651879 557084151 /nfs/dbraw/zinc/08/41/51/557084151.db2.gz CNLLCIKDERNWFB-GOSISDBHSA-N 0 0 433.935 5.624 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000408651881 557084172 /nfs/dbraw/zinc/08/41/72/557084172.db2.gz CNLLCIKDERNWFB-SFHVURJKSA-N 0 0 433.935 5.624 40 0 IKABRN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Br)c(Cl)c1 ZINC000408646448 557084383 /nfs/dbraw/zinc/08/43/83/557084383.db2.gz OKVLQAOYYSPMIK-UHFFFAOYSA-N 0 0 437.504 5.205 40 0 IKABRN Cc1ccc(C)c(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408646294 557084472 /nfs/dbraw/zinc/08/44/72/557084472.db2.gz ASZMIZUKZGGJGJ-URFUVCHWSA-N 0 0 448.349 5.401 40 0 IKABRN CC(C)Oc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Br ZINC000409357338 557084470 /nfs/dbraw/zinc/08/44/70/557084470.db2.gz ISUCZTHRWKYUKV-UYRXBGFRSA-N 0 0 446.366 5.515 40 0 IKABRN CC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000408646610 557084721 /nfs/dbraw/zinc/08/47/21/557084721.db2.gz 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O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408647258 557086385 /nfs/dbraw/zinc/08/63/85/557086385.db2.gz UVKRNJRMFHCZDP-OAHLLOKOSA-N 0 0 441.314 5.777 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(CSCc3ccc(F)cc3)n2CC)cc1 ZINC000409360790 557086929 /nfs/dbraw/zinc/08/69/29/557086929.db2.gz NKDMVHGXYIZCFR-UHFFFAOYSA-N 0 0 444.601 5.164 40 0 IKABRN Cc1ccc(CN2C(=O)S/C(=C\c3coc4c(Cl)cc(Cl)cc4c3=O)C2=O)cc1 ZINC000409375634 557087269 /nfs/dbraw/zinc/08/72/69/557087269.db2.gz NHUORBDXDNEFAC-FMQZQXMHSA-N 0 0 446.311 5.645 40 0 IKABRN CCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCC ZINC000409369210 557088787 /nfs/dbraw/zinc/08/87/87/557088787.db2.gz HZEVDOVONKJTCM-UHFFFAOYSA-N 0 0 433.129 5.806 40 0 IKABRN CCCOc1c(Br)cc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCC ZINC000409370465 557089306 /nfs/dbraw/zinc/08/93/06/557089306.db2.gz RGLPUTPKRZBBLM-UHFFFAOYSA-N 0 0 446.263 5.908 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1C ZINC000409370061 557089325 /nfs/dbraw/zinc/08/93/25/557089325.db2.gz KHYRZRUIFWYCPM-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)c(C)c1 ZINC000409373343 557089952 /nfs/dbraw/zinc/08/99/52/557089952.db2.gz HHUQDZIOFKBMPI-MFOYZWKCSA-N 0 0 432.904 5.079 40 0 IKABRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)c(C)c1 ZINC000409374639 557090323 /nfs/dbraw/zinc/09/03/23/557090323.db2.gz VOGAMSANRWYSNP-RQZCQDPDSA-N 0 0 449.359 5.594 40 0 IKABRN CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000409381829 557091098 /nfs/dbraw/zinc/09/10/98/557091098.db2.gz NYZJXSHIGCBNHV-UHFFFAOYSA-N 0 0 438.549 5.064 40 0 IKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000409384460 557092162 /nfs/dbraw/zinc/09/21/62/557092162.db2.gz CHTUKPRQRGZHKR-UHFFFAOYSA-N 0 0 437.418 5.041 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2Cl)c1C ZINC000409376684 557092482 /nfs/dbraw/zinc/09/24/82/557092482.db2.gz COJYGMMLCRERBV-UHFFFAOYSA-N 0 0 443.374 6.548 40 0 IKABRN 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557094388 /nfs/dbraw/zinc/09/43/88/557094388.db2.gz KHLCMPBDVMHCGO-UHFFFAOYSA-N 0 0 440.499 5.268 40 0 IKABRN CCc1ccccc1NC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000408667632 557094395 /nfs/dbraw/zinc/09/43/95/557094395.db2.gz BUTNJFDMQWVHMY-UHFFFAOYSA-N 0 0 439.298 5.609 40 0 IKABRN O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409379698 557094591 /nfs/dbraw/zinc/09/45/91/557094591.db2.gz ZNTHCFUDZBISGL-UHFFFAOYSA-N 0 0 435.738 6.276 40 0 IKABRN Cc1cc2nc3s/c(=C\c4ccc(OCc5ccccc5Cl)cc4)c(=O)n3c2cc1C ZINC000409390582 557095147 /nfs/dbraw/zinc/09/51/47/557095147.db2.gz FYSHUUXQTUGVJU-QRVIBDJDSA-N 0 0 446.959 5.306 40 0 IKABRN O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1cccc2ccccc21 ZINC000408660534 557095611 /nfs/dbraw/zinc/09/56/11/557095611.db2.gz AEFGTXSLLQYKAX-UHFFFAOYSA-N 0 0 445.302 5.047 40 0 IKABRN Cc1cc2nc3s/c(=C\c4ccc(OCc5ccc(Cl)cc5)cc4)c(=O)n3c2cc1C ZINC000409391122 557095844 /nfs/dbraw/zinc/09/58/44/557095844.db2.gz HJUDKASFYLPXSJ-QRVIBDJDSA-N 0 0 446.959 5.306 40 0 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557133861 /nfs/dbraw/zinc/13/38/61/557133861.db2.gz GCHACEULLQMIEH-UHFFFAOYSA-N 0 0 435.449 6.427 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccccc2C)cc1 ZINC000408724221 557133870 /nfs/dbraw/zinc/13/38/70/557133870.db2.gz IEPVHXYRTJYNEA-UHFFFAOYSA-N 0 0 446.348 6.171 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cc(C)cc3C)cc2-c2cccc3ccccc32)cc1 ZINC000408724157 557133873 /nfs/dbraw/zinc/13/38/73/557133873.db2.gz GPVPQXJSFKTDKU-UHFFFAOYSA-N 0 0 445.566 7.178 40 0 IKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)cc2-c2ccc3ccccc3c2)c1 ZINC000408724167 557133886 /nfs/dbraw/zinc/13/38/86/557133886.db2.gz GWXMPQZNGNBFRQ-UHFFFAOYSA-N 0 0 437.930 6.907 40 0 IKABRN Cc1cccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3cccc(C)c3)n2)c1 ZINC000408724530 557134092 /nfs/dbraw/zinc/13/40/92/557134092.db2.gz LLIAYXPGPMURMU-UHFFFAOYSA-N 0 0 443.550 7.075 40 0 IKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1 ZINC000408724481 557134114 /nfs/dbraw/zinc/13/41/14/557134114.db2.gz LCPXNGQJHZVLKA-UHFFFAOYSA-N 0 0 429.523 6.767 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Oc3ccc(OCc4ccccc4)cc3)c3ccccc3n2)cc1 ZINC000009057070 557134583 /nfs/dbraw/zinc/13/45/83/557134583.db2.gz YYDMVCFEWVDBRP-UHFFFAOYSA-N 0 0 445.518 7.008 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000408724947 557134842 /nfs/dbraw/zinc/13/48/42/557134842.db2.gz NFHPOPZTYVWVMH-UHFFFAOYSA-N 0 0 447.513 6.906 40 0 IKABRN O=C(Nc1ccc(Br)cc1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000408720892 557134872 /nfs/dbraw/zinc/13/48/72/557134872.db2.gz AKYSZDBWVRDBQA-UHFFFAOYSA-N 0 0 430.305 5.825 40 0 IKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)cc1-c1cccc2ccccc21 ZINC000408725008 557134902 /nfs/dbraw/zinc/13/49/02/557134902.db2.gz NNPUCTVLDBVIGB-UHFFFAOYSA-N 0 0 437.930 6.907 40 0 IKABRN Clc1ccc(C(c2ccccc2)(c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000090486507 557134993 /nfs/dbraw/zinc/13/49/93/557134993.db2.gz SRPPJPDYGVDJHG-UHFFFAOYSA-N 0 0 445.005 8.507 40 0 IKABRN CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c2ccccc21 ZINC000409353598 557135002 /nfs/dbraw/zinc/13/50/02/557135002.db2.gz NYVBCICIECBLQP-BKUYFWCQSA-N 0 0 447.560 5.343 40 0 IKABRN COc1ccc(N(C=C(c2ccccc2)c2ccccc2)C(=O)OCc2ccccc2)cc1 ZINC000003058822 557135789 /nfs/dbraw/zinc/13/57/89/557135789.db2.gz YMLVKMHUWNBZMY-UHFFFAOYSA-N 0 0 435.523 6.928 40 0 IKABRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 ZINC000408722821 557136463 /nfs/dbraw/zinc/13/64/63/557136463.db2.gz GONQSHFACSVDIH-BVSWHAQMSA-N 0 0 437.539 5.220 40 0 IKABRN CCCn1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409355840 557136775 /nfs/dbraw/zinc/13/67/75/557136775.db2.gz FHCOJPYPKTUAFH-MTJSOVHGSA-N 0 0 438.936 5.624 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000409356158 557136829 /nfs/dbraw/zinc/13/68/29/557136829.db2.gz FHFGCOBODGKPRH-UHFFFAOYSA-N 0 0 428.941 5.021 40 0 IKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000003190487 557136904 /nfs/dbraw/zinc/13/69/04/557136904.db2.gz 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CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000409358682 557137291 /nfs/dbraw/zinc/13/72/91/557137291.db2.gz FYHBURJGBFQYCK-UHFFFAOYSA-N 0 0 448.564 5.049 40 0 IKABRN Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409360738 557137310 /nfs/dbraw/zinc/13/73/10/557137310.db2.gz PRYBWFPQUGZFQO-HMAPJEAMSA-N 0 0 435.932 6.468 40 0 IKABRN CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000409358926 557137431 /nfs/dbraw/zinc/13/74/31/557137431.db2.gz HWJHTTYVNLSYTP-UHFFFAOYSA-N 0 0 440.638 5.387 40 0 IKABRN COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O ZINC000409359417 557137450 /nfs/dbraw/zinc/13/74/50/557137450.db2.gz NYNOKEJZCQQHJG-LPYMAVHISA-N 0 0 446.528 5.140 40 0 IKABRN Cc1ccc(CSCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)cc1 ZINC000409362021 557137670 /nfs/dbraw/zinc/13/76/70/557137670.db2.gz QWZBJAHYTDQLAI-UHFFFAOYSA-N 0 0 440.638 5.213 40 0 IKABRN CCc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000409367330 557137919 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Cc1ccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000408727780 557140828 /nfs/dbraw/zinc/14/08/28/557140828.db2.gz XOTCSAFVHSUVGX-UHFFFAOYSA-N 0 0 430.511 6.162 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)nn2-c2ccc(C)cc2)cc1 ZINC000408727701 557140852 /nfs/dbraw/zinc/14/08/52/557140852.db2.gz XCHFWRIBHVCDDX-UHFFFAOYSA-N 0 0 446.348 6.171 40 0 IKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000216252078 557141443 /nfs/dbraw/zinc/14/14/43/557141443.db2.gz AZKVLQYEZDCIEW-QHCPKHFHSA-N 0 0 425.981 6.737 40 0 IKABRN O=C(CSc1n[nH]c(COc2ccccc2)n1)N1c2ccccc2Sc2ccccc21 ZINC000409386174 557141564 /nfs/dbraw/zinc/14/15/64/557141564.db2.gz RFMCWWPORPNSKO-UHFFFAOYSA-N 0 0 446.557 5.305 40 0 IKABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000409386434 557141592 /nfs/dbraw/zinc/14/15/92/557141592.db2.gz TXMMDUGECDUPCX-UHFFFAOYSA-N 0 0 438.767 6.143 40 0 IKABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000216289581 557142384 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IKABRN Cc1cc(C)cc(NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c1 ZINC000408733315 557142965 /nfs/dbraw/zinc/14/29/65/557142965.db2.gz XINCVYJEQNNDLP-UHFFFAOYSA-N 0 0 442.562 7.680 40 0 IKABRN O=C(NCCSc1ccc(Cl)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000216320549 557143103 /nfs/dbraw/zinc/14/31/03/557143103.db2.gz COESALBGJCOOQG-UHFFFAOYSA-N 0 0 437.008 5.815 40 0 IKABRN CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1ccccc1Cl ZINC000408733842 557143249 /nfs/dbraw/zinc/14/32/49/557143249.db2.gz AZFLBBHUPQBCIP-UHFFFAOYSA-N 0 0 440.952 6.312 40 0 IKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 ZINC000005453168 557143585 /nfs/dbraw/zinc/14/35/85/557143585.db2.gz GPAYFLROALHUFV-OKPKYCIKSA-N 0 0 428.701 7.771 40 0 IKABRN CCOc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000216348414 557143630 /nfs/dbraw/zinc/14/36/30/557143630.db2.gz CJFAMVAZFCHPAV-HNNXBMFYSA-N 0 0 434.374 5.402 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000216354946 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557155325 /nfs/dbraw/zinc/15/53/25/557155325.db2.gz CWJLUCLUNOXMML-XMMPIXPASA-N 0 0 435.907 5.778 40 0 IKABRN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc2nsnc2c1 ZINC000021595978 557155592 /nfs/dbraw/zinc/15/55/92/557155592.db2.gz VXFLQVUWQQPSDR-UHFFFAOYSA-N 0 0 441.299 6.059 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000021595819 557155615 /nfs/dbraw/zinc/15/56/15/557155615.db2.gz DDJAGGCJBDWPHL-UHFFFAOYSA-N 0 0 429.004 6.424 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 ZINC000021595857 557155635 /nfs/dbraw/zinc/15/56/35/557155635.db2.gz HGSABOCTMCHCKQ-UHFFFAOYSA-N 0 0 428.536 5.514 40 0 IKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 ZINC000021596032 557155929 /nfs/dbraw/zinc/15/59/29/557155929.db2.gz ATOMPIPWTSEYGP-UHFFFAOYSA-N 0 0 439.737 5.247 40 0 IKABRN CC1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)cc2)CC1 ZINC000021596101 557155938 /nfs/dbraw/zinc/15/59/38/557155938.db2.gz DSSFUOZNKCAODU-UHFFFAOYSA-N 0 0 431.374 5.482 40 0 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CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC ZINC000106683043 557157013 /nfs/dbraw/zinc/15/70/13/557157013.db2.gz SHTDCOIIUYDETA-FAPYRAKZSA-N 0 0 431.941 5.762 40 0 IKABRN Cc1c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000106684762 557157024 /nfs/dbraw/zinc/15/70/24/557157024.db2.gz PLKOYKVSBSCZEC-XYGWBWBKSA-N 0 0 438.552 6.235 40 0 IKABRN O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106685266 557157264 /nfs/dbraw/zinc/15/72/64/557157264.db2.gz AXEZQDBNIKUMHI-PDGQHHTCSA-N 0 0 427.934 6.321 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000106688118 557157304 /nfs/dbraw/zinc/15/73/04/557157304.db2.gz JEKNERSJPQIHSR-FAPYRAKZSA-N 0 0 431.941 5.762 40 0 IKABRN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O)Nc1ccccc1 ZINC000106701621 557157526 /nfs/dbraw/zinc/15/75/26/557157526.db2.gz QHTKRCMGDIPXFU-AQTBWJFISA-N 0 0 436.514 5.106 40 0 IKABRN CCCSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCCC3)cc2s1 ZINC000408748296 557157531 /nfs/dbraw/zinc/15/75/31/557157531.db2.gz BMJPFLJLRWPDCF-UHFFFAOYSA-N 0 0 439.606 5.677 40 0 IKABRN O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccc(F)cc1 ZINC000106691611 557157602 /nfs/dbraw/zinc/15/76/02/557157602.db2.gz FIKVOZXSGIKUGA-IDUWFGFVSA-N 0 0 431.286 5.306 40 0 IKABRN COc1ccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)cc1 ZINC000408748448 557158010 /nfs/dbraw/zinc/15/80/10/557158010.db2.gz AKSIBKVFRGNBJF-ROUUACIJSA-N 0 0 438.574 5.277 40 0 IKABRN COc1ccc(CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3s2)cc1 ZINC000408748446 557158047 /nfs/dbraw/zinc/15/80/47/557158047.db2.gz AKSIBKVFRGNBJF-HDICACEKSA-N 0 0 438.574 5.277 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(C)C ZINC000106707002 557158180 /nfs/dbraw/zinc/15/81/80/557158180.db2.gz GESMKESZAQJFES-XKZIYDEJSA-N 0 0 425.550 5.665 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)c1 ZINC000106707386 557158238 /nfs/dbraw/zinc/15/82/38/557158238.db2.gz ZAIAIVJPDOGTOC-UCQKPKSFSA-N 0 0 433.504 5.950 40 0 IKABRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC ZINC000106706882 557158255 /nfs/dbraw/zinc/15/82/55/557158255.db2.gz CVVKOSFPDLYOFF-JCMHNJIXSA-N 0 0 425.550 5.809 40 0 IKABRN CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br ZINC000106708193 557158637 /nfs/dbraw/zinc/15/86/37/557158637.db2.gz JRKXEKNXVHYWRF-WQRHYEAKSA-N 0 0 432.339 5.393 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 ZINC000106709147 557158663 /nfs/dbraw/zinc/15/86/63/557158663.db2.gz WDQIFJDTNSZFID-MYYYXRDXSA-N 0 0 438.552 6.235 40 0 IKABRN COCCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1C ZINC000106712591 557158678 /nfs/dbraw/zinc/15/86/78/557158678.db2.gz XVPUOHVBNLRDSA-ZDLGFXPLSA-N 0 0 439.364 5.295 40 0 IKABRN CCc1cccc2c(/C=C3\SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)c[nH]c21 ZINC000106717596 557158897 /nfs/dbraw/zinc/15/88/97/557158897.db2.gz ZEYRBUCCMMYGQS-NVMNQCDNSA-N 0 0 431.344 6.274 40 0 IKABRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccccc3Cl)sc2c1 ZINC000408750457 557159019 /nfs/dbraw/zinc/15/90/19/557159019.db2.gz NHGCJONYQSIIDT-HOTGVXAUSA-N 0 0 442.993 5.922 40 0 IKABRN COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1OC(C)C ZINC000106720427 557159125 /nfs/dbraw/zinc/15/91/25/557159125.db2.gz VINGXKIGNZQHSJ-UCQKPKSFSA-N 0 0 433.529 5.872 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OC ZINC000106722745 557159131 /nfs/dbraw/zinc/15/91/31/557159131.db2.gz MCYHXKARGRQMSJ-WQRHYEAKSA-N 0 0 448.338 5.093 40 0 IKABRN CCn1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000106721899 557159246 /nfs/dbraw/zinc/15/92/46/557159246.db2.gz QVOIRWSKFDSLIH-ODLFYWEKSA-N 0 0 441.350 5.660 40 0 IKABRN O=C(Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1)c1ccc(Cl)cc1 ZINC000408750605 557159481 /nfs/dbraw/zinc/15/94/81/557159481.db2.gz PHVMVVPRCVYXKH-UHFFFAOYSA-N 0 0 428.941 6.633 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000106724984 557159488 /nfs/dbraw/zinc/15/94/88/557159488.db2.gz YRAGKIXVLWXHGT-VCRXTVNUSA-N 0 0 446.366 5.863 40 0 IKABRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OC(F)F ZINC000106734110 557159827 /nfs/dbraw/zinc/15/98/27/557159827.db2.gz MJBGHPLDWJYILW-APSNUPSMSA-N 0 0 443.830 5.326 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 ZINC000106732540 557159877 /nfs/dbraw/zinc/15/98/77/557159877.db2.gz WGRPOHYBNIDOJG-VCRXTVNUSA-N 0 0 446.366 5.863 40 0 IKABRN O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000106745862 557160571 /nfs/dbraw/zinc/16/05/71/557160571.db2.gz LCESFFIQVXDQFB-GRSHGNNSSA-N 0 0 431.847 6.115 40 0 IKABRN O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CCOc1ccccc1 ZINC000106755326 557160846 /nfs/dbraw/zinc/16/08/46/557160846.db2.gz RKKWXCTUKNBIMI-ZHZULCJRSA-N 0 0 425.893 5.715 40 0 IKABRN Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c1 ZINC000106759429 557161119 /nfs/dbraw/zinc/16/11/19/557161119.db2.gz LAOIKBAIBSMPRX-ULJHMMPZSA-N 0 0 445.540 5.689 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)ccc1OCC(C)C ZINC000106764188 557161449 /nfs/dbraw/zinc/16/14/49/557161449.db2.gz MLQJPFGKIUQEOW-JCMHNJIXSA-N 0 0 441.549 5.235 40 0 IKABRN Fc1ccccc1COc1ccc2ccccc2c1CNc1ccc(Br)cc1 ZINC000106955214 557162096 /nfs/dbraw/zinc/16/20/96/557162096.db2.gz ROHGLJCEIHPJPN-UHFFFAOYSA-N 0 0 436.324 6.933 40 0 IKABRN CCCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1Br ZINC000106965096 557162836 /nfs/dbraw/zinc/16/28/36/557162836.db2.gz LAECMTUNXDQZNH-UHFFFAOYSA-N 0 0 447.598 6.574 40 0 IKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1Cl ZINC000106970724 557162737 /nfs/dbraw/zinc/16/27/37/557162737.db2.gz HSUSOTGQIXZEPV-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000106971536 557162761 /nfs/dbraw/zinc/16/27/61/557162761.db2.gz UCQMUEDTJROBAI-UHFFFAOYSA-N 0 0 436.766 7.237 40 0 IKABRN CC[C@H](CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000096023657 557162942 /nfs/dbraw/zinc/16/29/42/557162942.db2.gz GSNYNPKRIFCZGN-PSPMEKIFSA-N 0 0 446.716 5.966 40 0 biogenic IKABRN Clc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c(Cl)c1 ZINC000106983724 557163513 /nfs/dbraw/zinc/16/35/13/557163513.db2.gz XRWDLRSYLQWXLW-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN CCOc1cc(CNc2ccc(Br)cc2)ccc1OCc1cccc(Cl)c1 ZINC000107023651 557164064 /nfs/dbraw/zinc/16/40/64/557164064.db2.gz LCKNVHMGCAUZIR-UHFFFAOYSA-N 0 0 446.772 6.692 40 0 IKABRN Clc1cccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2)c1 ZINC000107030584 557164379 /nfs/dbraw/zinc/16/43/79/557164379.db2.gz SHNRISBYMFFBID-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000107031405 557164409 /nfs/dbraw/zinc/16/44/09/557164409.db2.gz PEPUZESREHOFRK-UHFFFAOYSA-N 0 0 432.745 6.302 40 0 IKABRN COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 ZINC000107031199 557164411 /nfs/dbraw/zinc/16/44/11/557164411.db2.gz DIATUEJRBNOERW-UHFFFAOYSA-N 0 0 426.354 6.266 40 0 IKABRN CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000107033196 557164413 /nfs/dbraw/zinc/16/44/13/557164413.db2.gz WKFRABNPBUSEBQ-UHFFFAOYSA-N 0 0 432.347 6.592 40 0 IKABRN COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000107027622 557164426 /nfs/dbraw/zinc/16/44/26/557164426.db2.gz AIYJKSMRCAMILH-UHFFFAOYSA-N 0 0 440.729 6.986 40 0 IKABRN COCCn1c(C(=O)NCc2cc(F)cc(F)c2)cc2c1c1ccccc1n2C(C)C ZINC000096037320 557164446 /nfs/dbraw/zinc/16/44/46/557164446.db2.gz PVBUTQCVQPYTHK-UHFFFAOYSA-N 0 0 425.479 5.032 40 0 IKABRN CC(C)n1c2cc(C(=O)NCc3ccc(Cl)cc3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096037376 557164478 /nfs/dbraw/zinc/16/44/78/557164478.db2.gz CJCUASPVHDDMDU-UHFFFAOYSA-N 0 0 436.943 5.290 40 0 IKABRN Clc1ccc(OCc2ccccc2Cl)c(CNc2ccc(Br)cc2)c1 ZINC000107038880 557164659 /nfs/dbraw/zinc/16/46/59/557164659.db2.gz XWPSGGQDMRACPF-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN Clc1ccc(NCc2c(OCc3ccccc3Cl)ccc3ccccc32)cc1Cl ZINC000107040472 557164669 /nfs/dbraw/zinc/16/46/69/557164669.db2.gz SILJNNQFGFEZCZ-UHFFFAOYSA-N 0 0 442.773 7.991 40 0 IKABRN Clc1ccc(COc2ccccc2CNc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000107040953 557164755 /nfs/dbraw/zinc/16/47/55/557164755.db2.gz FQHSELYMZQUKSZ-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN Clc1ccc(COc2ccccc2CNc2ccc(Br)cc2)c(Cl)c1 ZINC000107041028 557164763 /nfs/dbraw/zinc/16/47/63/557164763.db2.gz QYEDZYSWKCJPRQ-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN Fc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1Cl ZINC000107042963 557165053 /nfs/dbraw/zinc/16/50/53/557165053.db2.gz PBTUVGHKUNKLPR-UHFFFAOYSA-N 0 0 438.699 6.572 40 0 IKABRN Fc1ccc(COc2ccc(Br)cc2CNc2ccc(F)c(Cl)c2)cc1 ZINC000107042928 557165149 /nfs/dbraw/zinc/16/51/49/557165149.db2.gz CMNDLVIZASTWGY-UHFFFAOYSA-N 0 0 438.699 6.572 40 0 IKABRN O=C(NCc1ccc(F)c(F)c1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 ZINC000096037731 557165164 /nfs/dbraw/zinc/16/51/64/557165164.db2.gz DNVKYZFUCDXVJR-UHFFFAOYSA-N 0 0 444.485 5.230 40 0 IKABRN COc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5ccc(C)nc5)cc43)cs2)cc1 ZINC000096037877 557165464 /nfs/dbraw/zinc/16/54/64/557165464.db2.gz MCUSMSSQYHYUNR-UHFFFAOYSA-N 0 0 442.500 5.583 40 0 IKABRN Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccc(F)cc5F)cc43)co2)cc1 ZINC000096037807 557165485 /nfs/dbraw/zinc/16/54/85/557165485.db2.gz QLTUXHNGHKWWRO-UHFFFAOYSA-N 0 0 445.425 5.666 40 0 IKABRN O=C(NCc1ccc(F)c(F)c1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096038134 557165705 /nfs/dbraw/zinc/16/57/05/557165705.db2.gz WEOKRULXZJLTDI-UHFFFAOYSA-N 0 0 446.432 5.139 40 0 IKABRN Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn43)n2)cc1Cl ZINC000096038150 557165766 /nfs/dbraw/zinc/16/57/66/557165766.db2.gz KAOWWNAVSNNATI-UHFFFAOYSA-N 0 0 444.897 6.145 40 0 IKABRN CCN(Cc1ccccc1)C(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096038135 557165779 /nfs/dbraw/zinc/16/57/79/557165779.db2.gz JDQHDZNKVABJSK-UHFFFAOYSA-N 0 0 438.506 5.593 40 0 IKABRN O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1ccc(Cl)cc1Cl ZINC000107544918 557166830 /nfs/dbraw/zinc/16/68/30/557166830.db2.gz AABUHQCIBQVHNI-UHFFFAOYSA-N 0 0 445.371 5.156 40 0 IKABRN CCCCN(C(=O)c1cccc(C(=O)N(CCCC)c2ccccc2)c1)c1ccccc1 ZINC000008434656 557169896 /nfs/dbraw/zinc/16/98/96/557169896.db2.gz YAZRHAXPKGQTGV-UHFFFAOYSA-N 0 0 428.576 6.580 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000008758791 557171084 /nfs/dbraw/zinc/17/10/84/557171084.db2.gz MJOXKSAAYYGPRX-UHFFFAOYSA-N 0 0 432.343 5.101 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c1 ZINC000008810050 557171227 /nfs/dbraw/zinc/17/12/27/557171227.db2.gz PWPPZOLRWZARGZ-UHFFFAOYSA-N 0 0 432.904 5.149 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c1 ZINC000008810046 557171269 /nfs/dbraw/zinc/17/12/69/557171269.db2.gz UKMIAROOSPFGGG-UHFFFAOYSA-N 0 0 432.904 5.149 40 0 IKABRN CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810051 557171423 /nfs/dbraw/zinc/17/14/23/557171423.db2.gz COXPYBCUELQOLH-UHFFFAOYSA-N 0 0 432.904 5.095 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1F)c1ccccc1Cl ZINC000008810376 557172394 /nfs/dbraw/zinc/17/23/94/557172394.db2.gz XDIHTFLRWGARIV-UHFFFAOYSA-N 0 0 439.295 5.186 40 0 IKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810365 557172431 /nfs/dbraw/zinc/17/24/31/557172431.db2.gz FGRVPDNIXUZNJP-UHFFFAOYSA-N 0 0 432.904 5.149 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1F)c1ccccc1F ZINC000008810663 557172829 /nfs/dbraw/zinc/17/28/29/557172829.db2.gz OVKLKAXUFUIICX-UHFFFAOYSA-N 0 0 438.455 5.171 40 0 IKABRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 ZINC000008831027 557173889 /nfs/dbraw/zinc/17/38/89/557173889.db2.gz SNKAVYFUFSFHND-UHFFFAOYSA-N 0 0 445.544 5.637 40 0 IKABRN Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3)oc2c1 ZINC000008831046 557173910 /nfs/dbraw/zinc/17/39/10/557173910.db2.gz AHFXZPCLVNUBSZ-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]12 ZINC000408756050 557174214 /nfs/dbraw/zinc/17/42/14/557174214.db2.gz XHDXWAWFSOBJLK-BDELYBFDSA-N 0 0 441.530 5.924 40 0 IKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)nc21 ZINC000008831099 557174211 /nfs/dbraw/zinc/17/42/11/557174211.db2.gz QPJZZZYRNJSVDW-UHFFFAOYSA-N 0 0 447.585 5.619 40 0 IKABRN COc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)nc2cc1Cl ZINC000008831129 557174232 /nfs/dbraw/zinc/17/42/32/557174232.db2.gz VAQLACPBGHMXRC-RMKNXTFCSA-N 0 0 445.997 5.608 40 0 IKABRN Cc1ccccc1C(=O)NC(=S)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000008831210 557174245 /nfs/dbraw/zinc/17/42/45/557174245.db2.gz HLUMDJBJLFEUHE-UHFFFAOYSA-N 0 0 443.576 5.288 40 0 IKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c1 ZINC000008831370 557174515 /nfs/dbraw/zinc/17/45/15/557174515.db2.gz MCIFWLOPVOGCPS-UHFFFAOYSA-N 0 0 441.778 5.264 40 0 IKABRN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008831506 557174734 /nfs/dbraw/zinc/17/47/34/557174734.db2.gz SAVHQVNQQVBWQC-UHFFFAOYSA-N 0 0 449.315 5.151 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3)nc2c1 ZINC000008831944 557175683 /nfs/dbraw/zinc/17/56/83/557175683.db2.gz LAEIRXKDADSPNP-UHFFFAOYSA-N 0 0 441.314 6.625 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(F)c1F ZINC000008831854 557175698 /nfs/dbraw/zinc/17/56/98/557175698.db2.gz MXQVPCDGQXMATC-UHFFFAOYSA-N 0 0 446.425 6.089 40 0 IKABRN O=C(COc1ccccc1Cl)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000008831900 557175751 /nfs/dbraw/zinc/17/57/51/557175751.db2.gz ZFRWLOFCADBBPX-UHFFFAOYSA-N 0 0 447.705 6.473 40 0 IKABRN Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)nc21 ZINC000008832038 557175957 /nfs/dbraw/zinc/17/59/57/557175957.db2.gz HRVCVIZECAYCBI-SOFGYWHQSA-N 0 0 443.355 7.132 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc2ccc(Cl)cc2s1 ZINC000008832030 557175960 /nfs/dbraw/zinc/17/59/60/557175960.db2.gz YDJLHFWJHUPNHW-XBXARRHUSA-N 0 0 449.746 7.168 40 0 IKABRN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000008831974 557175995 /nfs/dbraw/zinc/17/59/95/557175995.db2.gz WVEOVNREAXNSLN-UHFFFAOYSA-N 0 0 440.543 6.868 40 0 IKABRN COc1ccc2nc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)sc2c1 ZINC000008832027 557175998 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CC(C)COc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000009063974 557180134 /nfs/dbraw/zinc/18/01/34/557180134.db2.gz AGZMDFVXKHYVFB-UHFFFAOYSA-N 0 0 444.560 5.392 40 0 IKABRN Cc1ccc(S[C@@H](CS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000022134008 557180216 /nfs/dbraw/zinc/18/02/16/557180216.db2.gz BLHSHQUHPAWWJR-NRFANRHFSA-N 0 0 447.419 6.065 40 0 IKABRN O=C(Nc1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1)c1cc2ccccc2o1 ZINC000009064509 557180498 /nfs/dbraw/zinc/18/04/98/557180498.db2.gz MVLJIOAACJLGGI-UHFFFAOYSA-N 0 0 449.919 5.465 40 0 IKABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000009064768 557180874 /nfs/dbraw/zinc/18/08/74/557180874.db2.gz GACHRAZXYXECJD-UHFFFAOYSA-N 0 0 448.979 5.551 40 0 IKABRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1 ZINC000009064735 557180901 /nfs/dbraw/zinc/18/09/01/557180901.db2.gz SRFVSGNUMATYHD-DHZHZOJOSA-N 0 0 445.371 6.397 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1C ZINC000009064719 557180904 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437.585 5.845 40 0 IKABRN Cc1cc(OCC(=O)NCCSCc2ccccc2Cl)cc(C)c1Br ZINC000218833800 557217999 /nfs/dbraw/zinc/21/79/99/557217999.db2.gz GHGBFCVLTSCMEN-UHFFFAOYSA-N 0 0 442.806 5.148 40 0 IKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Br)o2)SC1Nc1ccccc1 ZINC000408805272 557218016 /nfs/dbraw/zinc/21/80/16/557218016.db2.gz FQVRACSWTVJASK-OIZPTJBSSA-N 0 0 446.390 6.096 40 0 IKABRN COc1ccc(Cl)cc1/C=C1\SC(Nc2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O ZINC000408805551 557218109 /nfs/dbraw/zinc/21/81/09/557218109.db2.gz GPEJQIJMGMNRFS-HFSVPUNZSA-N 0 0 442.004 6.403 40 0 IKABRN Cc1ccc2c(c1)[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)CC(C)(C)O2 ZINC000218843732 557218357 /nfs/dbraw/zinc/21/83/57/557218357.db2.gz MUPAKDYFDZCHOA-SFHVURJKSA-N 0 0 432.358 5.172 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc(C)c1Br ZINC000218842259 557218390 /nfs/dbraw/zinc/21/83/90/557218390.db2.gz LHGIRKJSWUUOMC-UHFFFAOYSA-N 0 0 438.321 5.314 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000218843889 557218394 /nfs/dbraw/zinc/21/83/94/557218394.db2.gz KZWMZQJSJYGKDW-SFHVURJKSA-N 0 0 432.358 5.172 40 0 IKABRN O=C(COc1ccc(Cl)cc1Br)NCCSCc1ccccc1Cl ZINC000218852973 557218582 /nfs/dbraw/zinc/21/85/82/557218582.db2.gz ZNNRXPQBCLQFHG-UHFFFAOYSA-N 0 0 449.197 5.184 40 0 IKABRN O=C(COc1ccc(Cl)cc1Br)NCCSCc1cccc(Cl)c1 ZINC000218853074 557218616 /nfs/dbraw/zinc/21/86/16/557218616.db2.gz IPKYMQLJFUGVAL-UHFFFAOYSA-N 0 0 449.197 5.184 40 0 IKABRN CC(C)Oc1cccc(CCCNC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000218856985 557218638 /nfs/dbraw/zinc/21/86/38/557218638.db2.gz MIFSHLBILGLOOT-UHFFFAOYSA-N 0 0 440.765 5.018 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Cl)cc1Br ZINC000218858128 557218941 /nfs/dbraw/zinc/21/89/41/557218941.db2.gz ZAZLKPGXZJKTTD-MRXNPFEDSA-N 0 0 438.749 5.208 40 0 IKABRN Cc1ccccc1CSCCNC(=O)COc1ccc(C(C)C)cc1Br ZINC000218871553 557219304 /nfs/dbraw/zinc/21/93/04/557219304.db2.gz KVRVWDOUTSHKSR-UHFFFAOYSA-N 0 0 436.415 5.309 40 0 IKABRN CC(C)c1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000218878264 557219506 /nfs/dbraw/zinc/21/95/06/557219506.db2.gz XMSRFFIJUWEEAP-UHFFFAOYSA-N 0 0 432.402 5.824 40 0 IKABRN CC(C)Oc1cccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)c1 ZINC000218876160 557219590 /nfs/dbraw/zinc/21/95/90/557219590.db2.gz GVBORXVTMZQFGA-UHFFFAOYSA-N 0 0 448.401 5.488 40 0 IKABRN CC(C)Oc1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000218876273 557219593 /nfs/dbraw/zinc/21/95/93/557219593.db2.gz ZWHUQDCYKIEYSW-UHFFFAOYSA-N 0 0 448.401 5.488 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(C(C)C)cc1Br ZINC000218877538 557219609 /nfs/dbraw/zinc/21/96/09/557219609.db2.gz IJCZEZJIJFWNOF-IBGZPJMESA-N 0 0 446.385 5.678 40 0 IKABRN Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000218885202 557219853 /nfs/dbraw/zinc/21/98/53/557219853.db2.gz CYJKLVIFIRENAA-MRXNPFEDSA-N 0 0 434.374 5.018 40 0 IKABRN CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000218884177 557219868 /nfs/dbraw/zinc/21/98/68/557219868.db2.gz NCCMBYFATQJUBP-UHFFFAOYSA-N 0 0 448.357 5.249 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(Br)c1 ZINC000218885013 557219992 /nfs/dbraw/zinc/21/99/92/557219992.db2.gz SKLUDQUPKKDGHO-SFHVURJKSA-N 0 0 446.385 5.544 40 0 IKABRN COC(=O)c1cc(NC(=O)COc2ccc3ccccc3c2Br)ccc1Cl ZINC000218903340 557220308 /nfs/dbraw/zinc/22/03/08/557220308.db2.gz GFFVQTXNATYBPQ-UHFFFAOYSA-N 0 0 448.700 5.060 40 0 IKABRN COc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc1Br ZINC000408803882 557220403 /nfs/dbraw/zinc/22/04/03/557220403.db2.gz BFSSKBGBKKDZPY-UHFFFAOYSA-N 0 0 438.754 5.183 40 0 IKABRN CC1(C)C[C@H](NC(=O)COc2ccc3ccccc3c2Br)c2ccccc2O1 ZINC000218906774 557220548 /nfs/dbraw/zinc/22/05/48/557220548.db2.gz BMNRREDRSQFQSC-SFHVURJKSA-N 0 0 440.337 5.400 40 0 IKABRN CC(C)c1ccc(CCCNC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000218907958 557220651 /nfs/dbraw/zinc/22/06/51/557220651.db2.gz GAYYEXMVRIJOCS-UHFFFAOYSA-N 0 0 440.381 5.854 40 0 IKABRN CCOc1ccc(CCCNC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000218906876 557220664 /nfs/dbraw/zinc/22/06/64/557220664.db2.gz HUJPICQICGNEDG-UHFFFAOYSA-N 0 0 442.353 5.129 40 0 IKABRN CC1(C)C[C@@H](NC(=O)COc2ccc3ccccc3c2Br)c2ccccc2O1 ZINC000218906698 557220685 /nfs/dbraw/zinc/22/06/85/557220685.db2.gz BMNRREDRSQFQSC-GOSISDBHSA-N 0 0 440.337 5.400 40 0 IKABRN O=C(COc1ccc(Br)cc1Cl)NCCSCc1ccccc1Cl ZINC000218942955 557221195 /nfs/dbraw/zinc/22/11/95/557221195.db2.gz FDIWRJIHCXWRGP-UHFFFAOYSA-N 0 0 449.197 5.184 40 0 IKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 ZINC000408810193 557221313 /nfs/dbraw/zinc/22/13/13/557221313.db2.gz IJTNQHKTXQJSKV-UHFFFAOYSA-N 0 0 429.880 5.511 40 0 IKABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000010449843 557221500 /nfs/dbraw/zinc/22/15/00/557221500.db2.gz DMQQUKWGUSCKMO-PPHZAIPVSA-N 0 0 442.584 5.095 40 0 IKABRN CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O ZINC000408810454 557221591 /nfs/dbraw/zinc/22/15/91/557221591.db2.gz JBDTWCDQQSJNHC-SXGWCWSVSA-N 0 0 438.730 5.348 40 0 IKABRN Cc1c(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1C ZINC000408810297 557221628 /nfs/dbraw/zinc/22/16/28/557221628.db2.gz IPNKNKMUWUSJHP-CLFKFXSOSA-N 0 0 444.624 6.541 40 0 IKABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cccc(OCc2ccccc2)c1 ZINC000218976312 557221965 /nfs/dbraw/zinc/22/19/65/557221965.db2.gz UWEANLCLZXSKJT-UHFFFAOYSA-N 0 0 446.399 6.236 40 0 IKABRN COC(=O)c1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408811366 557221946 /nfs/dbraw/zinc/22/19/46/557221946.db2.gz NNAQWTJHEAPSGC-QZAGLCHTSA-N 0 0 435.569 5.527 40 0 IKABRN O=C(NCCSCc1ccccc1F)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218989629 557222503 /nfs/dbraw/zinc/22/25/03/557222503.db2.gz IGRFAESQHWYNGU-UHFFFAOYSA-N 0 0 429.944 5.721 40 0 IKABRN Cc1ccc(-c2noc(CNC(=O)c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 ZINC000218992653 557222524 /nfs/dbraw/zinc/22/25/24/557222524.db2.gz PXHGCJVDAWYCLW-UHFFFAOYSA-N 0 0 433.895 5.207 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218991553 557222593 /nfs/dbraw/zinc/22/25/93/557222593.db2.gz RTXMZIZPTJNUGV-QHCPKHFHSA-N 0 0 435.951 6.260 40 0 IKABRN Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(OCc4ccccc4Cl)cc3)n2)c1 ZINC000218992844 557222616 /nfs/dbraw/zinc/22/26/16/557222616.db2.gz OKGXTEYZKUXVPX-UHFFFAOYSA-N 0 0 447.922 5.550 40 0 IKABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1CCc1ccccc1 ZINC000219007945 557222897 /nfs/dbraw/zinc/22/28/97/557222897.db2.gz HPJYCVFZWQFBJK-UHFFFAOYSA-N 0 0 431.923 5.447 40 0 IKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2c(OC)ccc3ccccc32)S1 ZINC000408808497 557223007 /nfs/dbraw/zinc/22/30/07/557223007.db2.gz MGLLLKQBJNOBKM-UHFFFAOYSA-N 0 0 425.917 5.273 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408812980 557223029 /nfs/dbraw/zinc/22/30/29/557223029.db2.gz CWPGRQMRUXKWLL-YVLHZVERSA-N 0 0 438.332 5.637 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000219119427 557227066 /nfs/dbraw/zinc/22/70/66/557227066.db2.gz YCMCZPYFWUEFGX-WMZHIEFXSA-N 0 0 444.641 5.023 40 0 IKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000011117581 557227068 /nfs/dbraw/zinc/22/70/68/557227068.db2.gz PDNQNBQRHGXTLI-WOJBJXKFSA-N 0 0 447.482 5.222 40 0 IKABRN Cc1cccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3cccc(C)c3)c2Cl)c1 ZINC000017094313 557227077 /nfs/dbraw/zinc/22/70/77/557227077.db2.gz JPWDBQLYNSALSE-UHFFFAOYSA-N 0 0 425.334 7.328 40 0 IKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000011114952 557227116 /nfs/dbraw/zinc/22/71/16/557227116.db2.gz GLUOSQCIQGZHIV-LEWJYISDSA-N 0 0 427.957 5.165 40 0 IKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000011116359 557227124 /nfs/dbraw/zinc/22/71/24/557227124.db2.gz WVXVIMMSLHDULY-RTWAWAEBSA-N 0 0 427.957 5.165 40 0 IKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000011115002 557227142 /nfs/dbraw/zinc/22/71/42/557227142.db2.gz GLUOSQCIQGZHIV-NHCUHLMSSA-N 0 0 427.957 5.165 40 0 IKABRN COc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccncc2)cc1 ZINC000011151726 557227377 /nfs/dbraw/zinc/22/73/77/557227377.db2.gz GXCUWWMEMWDQAW-UHFFFAOYSA-N 0 0 438.940 5.162 40 0 IKABRN COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c1 ZINC000408815794 557229094 /nfs/dbraw/zinc/22/90/94/557229094.db2.gz SERZBOQQXPMDIG-UNOMPAQXSA-N 0 0 439.876 5.628 40 0 IKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 ZINC000408816589 557229784 /nfs/dbraw/zinc/22/97/84/557229784.db2.gz RXACIUCTIZLULP-UHFFFAOYSA-N 0 0 431.537 5.346 40 0 IKABRN CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cccc3ccccc32)S1(=O)=O ZINC000219177901 557229763 /nfs/dbraw/zinc/22/97/63/557229763.db2.gz OPCAHDOWTVJWAS-UHFFFAOYSA-N 0 0 440.524 5.018 40 0 IKABRN Cc1c(/C=C2\SC(Nc3ccccc3F)NC2=O)c2ccccc2n1Cc1ccccc1 ZINC000408818534 557231392 /nfs/dbraw/zinc/23/13/92/557231392.db2.gz XDILXETYAPBTTC-UHFFFAOYSA-N 0 0 442.539 5.900 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408818929 557232288 /nfs/dbraw/zinc/23/22/88/557232288.db2.gz YXXFXXWZTZTEQX-NVMNQCDNSA-N 0 0 438.332 5.637 40 0 IKABRN Nc1cccc(CNC(=O)c2ccc(Oc3ccc(OCc4cccc(F)c4)cc3)nc2)c1 ZINC000098052688 557232480 /nfs/dbraw/zinc/23/24/80/557232480.db2.gz JZMLHJRKSJXARY-UHFFFAOYSA-N 0 0 443.478 5.104 40 0 in-vitro IKABRN CC1(C)C[C@@H](NC(=O)c2ccc(OCCSc3ccccc3)cc2)c2ccccc2O1 ZINC000219265009 557234270 /nfs/dbraw/zinc/23/42/70/557234270.db2.gz AFKVVNQWAVWFEY-HSZRJFAPSA-N 0 0 433.573 5.890 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000219265534 557234406 /nfs/dbraw/zinc/23/44/06/557234406.db2.gz ITBWMZHHYZVKND-DEOSSOPVSA-N 0 0 447.600 6.198 40 0 IKABRN Cc1ccc(-c2noc(CNC(=O)c3ccc(OCCSc4ccccc4)cc3)n2)cc1 ZINC000219266119 557234483 /nfs/dbraw/zinc/23/44/83/557234483.db2.gz KENVZBPGBUOBIM-UHFFFAOYSA-N 0 0 445.544 5.146 40 0 IKABRN CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(C)c(C)c1 ZINC000408822602 557238086 /nfs/dbraw/zinc/23/80/86/557238086.db2.gz BJJQFYGBGGAELI-UHFFFAOYSA-N 0 0 429.383 6.394 40 0 IKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000219344205 557238365 /nfs/dbraw/zinc/23/83/65/557238365.db2.gz UMWGFZMBEDYKEG-FQEVSTJZSA-N 0 0 435.911 5.359 40 0 IKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000219343961 557238434 /nfs/dbraw/zinc/23/84/34/557238434.db2.gz JYLKZXFSKKYQEA-HXUWFJFHSA-N 0 0 435.911 5.359 40 0 IKABRN Cc1cc(C)cc(OCC(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)c1 ZINC000057313015 557238669 /nfs/dbraw/zinc/23/86/69/557238669.db2.gz DJYWKTUQNUUMQL-UHFFFAOYSA-N 0 0 444.984 5.717 40 0 IKABRN CCOc1ccc(-c2nc(NC(=O)c3ccc(OC)c(Br)c3)sc2C)cc1 ZINC000408824406 557239753 /nfs/dbraw/zinc/23/97/53/557239753.db2.gz HNCCHTJZQVZEJZ-UHFFFAOYSA-N 0 0 447.354 5.541 40 0 IKABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)c3)nn12 ZINC000057316972 557240280 /nfs/dbraw/zinc/24/02/80/557240280.db2.gz CCCDLNHOTKXAJV-UHFFFAOYSA-N 0 0 449.923 5.581 40 0 IKABRN CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nn12 ZINC000057316986 557240315 /nfs/dbraw/zinc/24/03/15/557240315.db2.gz DFJSCJKCGNIMIV-WYMLVPIESA-N 0 0 441.516 5.327 40 0 IKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc2c(Cl)cccc12 ZINC000057317032 557240520 /nfs/dbraw/zinc/24/05/20/557240520.db2.gz CLDUFWPFEZSCSZ-UHFFFAOYSA-N 0 0 440.724 6.446 40 0 IKABRN COc1cc2ccccc2cc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317017 557240550 /nfs/dbraw/zinc/24/05/50/557240550.db2.gz PAXIZHSKRHRDCH-UHFFFAOYSA-N 0 0 436.305 5.801 40 0 IKABRN CC(C)COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057317014 557240557 /nfs/dbraw/zinc/24/05/57/557240557.db2.gz LMBNPZJWLZWVDR-UHFFFAOYSA-N 0 0 428.326 5.674 40 0 IKABRN CC[C@@H](C)Oc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000057317086 557240792 /nfs/dbraw/zinc/24/07/92/557240792.db2.gz ZXNHUCJBJVYCOK-OAHLLOKOSA-N 0 0 428.326 5.816 40 0 IKABRN CC[C@H](C)Oc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000057317087 557240796 /nfs/dbraw/zinc/24/07/96/557240796.db2.gz ZXNHUCJBJVYCOK-HNNXBMFYSA-N 0 0 428.326 5.816 40 0 IKABRN CCCCOc1cccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 ZINC000057317323 557241083 /nfs/dbraw/zinc/24/10/83/557241083.db2.gz ZCBWRTCCESRSLG-UHFFFAOYSA-N 0 0 444.856 5.038 40 0 IKABRN CC(C)c1ccc(/C=C/C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 ZINC000057317270 557241097 /nfs/dbraw/zinc/24/10/97/557241097.db2.gz BEDYNWYCSYDJED-VMPITWQZSA-N 0 0 440.868 5.382 40 0 IKABRN Cc1cc2nc3c(nc2cc1C)C(O)[C@@H](c1c[nH]c2ccc(COc4ccccc4)cc21)O3 ZINC000100134575 557241959 /nfs/dbraw/zinc/24/19/59/557241959.db2.gz HFWPWIIJNZNRER-AREMUKBSSA-N 0 0 437.499 6.360 40 0 in-vitro IKABRN COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000057351115 557242126 /nfs/dbraw/zinc/24/21/26/557242126.db2.gz FMOSRRYWKUIXKP-DTQAZKPQSA-N 0 0 436.471 5.341 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000057313309 557244560 /nfs/dbraw/zinc/24/45/60/557244560.db2.gz WSUDCVHIIRAXPA-JLHYYAGUSA-N 0 0 441.874 6.455 40 0 IKABRN Cc1c(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c2ccccc2n1C ZINC000100156308 557244702 /nfs/dbraw/zinc/24/47/02/557244702.db2.gz WSSSPCMMHYNNFX-CALCHBBNSA-N 0 0 434.565 5.302 40 0 IKABRN Cc1ncsc1-c1nnc([C@H]2CC[C@H](CNC(=O)c3csc4ccccc34)CC2)o1 ZINC000100156469 557244982 /nfs/dbraw/zinc/24/49/82/557244982.db2.gz NXFSCMFFSUZFKH-GASCZTMLSA-N 0 0 438.578 5.420 40 0 IKABRN CCOc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)sc2c1 ZINC000057313747 557244987 /nfs/dbraw/zinc/24/49/87/557244987.db2.gz KHVODMLOVQQWIC-UHFFFAOYSA-N 0 0 435.343 5.254 40 0 IKABRN Cc1ncsc1-c1nnc([C@@H]2CC[C@@H](CNC(=O)c3cc4cc(C)ccc4o3)CC2)o1 ZINC000100156467 557245019 /nfs/dbraw/zinc/24/50/19/557245019.db2.gz OHFOYTRGWBJSJV-IYBDPMFKSA-N 0 0 436.537 5.260 40 0 IKABRN O=C(NC(=S)Nc1c2nsnc2ccc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000057314014 557245144 /nfs/dbraw/zinc/24/51/44/557245144.db2.gz AZFYNYFKXDMUKT-UHFFFAOYSA-N 0 0 449.344 5.385 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000057314066 557245225 /nfs/dbraw/zinc/24/52/25/557245225.db2.gz TVGYHRSWHPIOIK-BMRADRMJSA-N 0 0 448.478 6.597 40 0 IKABRN COc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nc2c1 ZINC000057315626 557245477 /nfs/dbraw/zinc/24/54/77/557245477.db2.gz LNOAXKGFPGQLEN-DTQAZKPQSA-N 0 0 436.467 6.415 40 0 IKABRN Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc(C)c1I ZINC000057315652 557245518 /nfs/dbraw/zinc/24/55/18/557245518.db2.gz BQZWGVXJFJLOSG-PKNBQFBNSA-N 0 0 443.284 5.820 40 0 IKABRN Cc1ccc2c(cccc2NC(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 ZINC000057315595 557245535 /nfs/dbraw/zinc/24/55/35/557245535.db2.gz RORMVDAUYUQZJC-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 ZINC000057315936 557245697 /nfs/dbraw/zinc/24/56/97/557245697.db2.gz YLJDJIJSMVYUHM-UHFFFAOYSA-N 0 0 446.522 6.728 40 0 IKABRN Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)c2n1 ZINC000057315952 557245739 /nfs/dbraw/zinc/24/57/39/557245739.db2.gz UNUFRVCJSXLDKR-UHFFFAOYSA-N 0 0 427.529 5.249 40 0 IKABRN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)c(OC)c1 ZINC000057316029 557246103 /nfs/dbraw/zinc/24/61/03/557246103.db2.gz KFYCHBCITUFFDM-UHFFFAOYSA-N 0 0 446.503 5.896 40 0 IKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C(N)=O)C1 ZINC000057316063 557246134 /nfs/dbraw/zinc/24/61/34/557246134.db2.gz IHPVZDOPLLTSPJ-GWKQRERASA-N 0 0 448.588 5.910 40 0 IKABRN CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(Cl)cc1 ZINC000408829846 557246482 /nfs/dbraw/zinc/24/64/82/557246482.db2.gz NIACRXUASNBPHK-UHFFFAOYSA-N 0 0 432.976 7.335 40 0 IKABRN CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 ZINC000100205698 557247558 /nfs/dbraw/zinc/24/75/58/557247558.db2.gz KQZLKBYFISFSCW-OYRHEFFESA-N 0 0 442.648 5.052 40 0 IKABRN Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc54)o3)CC2)c1 ZINC000100219426 557248330 /nfs/dbraw/zinc/24/83/30/557248330.db2.gz GBCWACFGSFZCGF-IQGASKDCSA-N 0 0 440.547 5.226 40 0 IKABRN O=C(/C=C/c1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc43)o2)CC1 ZINC000100219422 557248452 /nfs/dbraw/zinc/24/84/52/557248452.db2.gz ZGKKQRINKCBVQG-DSKJWWGSSA-N 0 0 438.531 5.388 40 0 IKABRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012680473 557251405 /nfs/dbraw/zinc/25/14/05/557251405.db2.gz MXSBUEBWWISVAG-UHFFFAOYSA-N 0 0 431.798 5.279 40 0 IKABRN Cc1ccc2cc(C(=O)CCC(=O)Nc3ccc(I)cc3)ccc2c1 ZINC000408836081 557252108 /nfs/dbraw/zinc/25/21/08/557252108.db2.gz ZBJTUXCFRSHFGP-UHFFFAOYSA-N 0 0 443.284 5.354 40 0 IKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000219473088 557252154 /nfs/dbraw/zinc/25/21/54/557252154.db2.gz YWCCKDCXPGCTOY-NRFANRHFSA-N 0 0 444.531 5.007 40 0 IKABRN Cc1ccc2c(c1)[C@@H](NC(=O)CCCN1c3cccc4cccc(c34)C1=O)CC(C)(C)O2 ZINC000219472537 557252184 /nfs/dbraw/zinc/25/21/84/557252184.db2.gz CFJHWWDDOHVOMC-NRFANRHFSA-N 0 0 428.532 5.307 40 0 IKABRN Cc1ccc2c(c1)[C@H](NC(=O)CCCN1c3cccc4cccc(c34)C1=O)CC(C)(C)O2 ZINC000219472622 557252189 /nfs/dbraw/zinc/25/21/89/557252189.db2.gz CFJHWWDDOHVOMC-OAQYLSRUSA-N 0 0 428.532 5.307 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219471260 557252223 /nfs/dbraw/zinc/25/22/23/557252223.db2.gz NWNKDRLORCGMCE-HSZRJFAPSA-N 0 0 430.548 5.492 40 0 IKABRN CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1cc(OC)ccc1OC ZINC000408835490 557253258 /nfs/dbraw/zinc/25/32/58/557253258.db2.gz XDZSWPVRSYFPDE-UHFFFAOYSA-N 0 0 440.609 5.935 40 0 IKABRN COc1ccc(CN(Cc2nnnn2C2CCCCC2)Cc2ccccc2Cl)cc1 ZINC000057614088 557255325 /nfs/dbraw/zinc/25/53/25/557255325.db2.gz UARBXDJYVVWWOE-UHFFFAOYSA-N 0 0 425.964 5.043 40 0 IKABRN CC(C)[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000057614108 557255367 /nfs/dbraw/zinc/25/53/67/557255367.db2.gz MBMVAAVBTNIEST-QFIPXVFZSA-N 0 0 427.980 5.824 40 0 IKABRN CC(C)[C@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000057614111 557255397 /nfs/dbraw/zinc/25/53/97/557255397.db2.gz MBMVAAVBTNIEST-JOCHJYFZSA-N 0 0 427.980 5.824 40 0 IKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000040945164 557256832 /nfs/dbraw/zinc/25/68/32/557256832.db2.gz RZOJYYFKMJSTJM-QGZVFWFLSA-N 0 0 435.951 6.275 40 0 IKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000040945162 557256856 /nfs/dbraw/zinc/25/68/56/557256856.db2.gz RZOJYYFKMJSTJM-KRWDZBQOSA-N 0 0 435.951 6.275 40 0 IKABRN CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(OC)cc1 ZINC000408836744 557257031 /nfs/dbraw/zinc/25/70/31/557257031.db2.gz UZNNKURIMUTKPZ-UHFFFAOYSA-N 0 0 428.557 6.691 40 0 IKABRN Cc1ccc2[nH]cc(C(=O)CSc3nnc(-c4ccsc4)c(-c4ccsc4)n3)c2c1 ZINC000057742558 557257791 /nfs/dbraw/zinc/25/77/91/557257791.db2.gz ZWBJTDFBIOXDPS-UHFFFAOYSA-N 0 0 448.598 6.093 40 0 IKABRN COc1cc2c(cc1OC)CN(Cc1cc3sccc3n1Cc1ccc(F)cc1)CC2 ZINC000057718502 557258850 /nfs/dbraw/zinc/25/88/50/557258850.db2.gz KOGHGAMHEHFLCV-UHFFFAOYSA-N 0 0 436.552 5.466 40 0 IKABRN COc1cccc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)c1 ZINC000408840030 557260721 /nfs/dbraw/zinc/26/07/21/557260721.db2.gz XAHAVKVJFDNPNR-RIYZIHGNSA-N 0 0 448.725 5.670 40 0 IKABRN COc1ccc(F)c(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(-c4cccc(C)c4)nn32)c1 ZINC000057761862 557261779 /nfs/dbraw/zinc/26/17/79/557261779.db2.gz YZKYGPBGTGLNCH-YADARESESA-N 0 0 428.511 5.114 40 0 IKABRN COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000057761848 557261813 /nfs/dbraw/zinc/26/18/13/557261813.db2.gz YJIVWYZWOWSBFA-VWLOTQADSA-N 0 0 437.543 5.414 40 0 IKABRN COc1ccc(F)c(CN2[C@@H]3CC[C@H]2c2cnc4cc(-c5cccc(C)c5)nn4c2C3)c1 ZINC000057761860 557261896 /nfs/dbraw/zinc/26/18/96/557261896.db2.gz YZKYGPBGTGLNCH-DVECYGJZSA-N 0 0 428.511 5.114 40 0 IKABRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000219677093 557262399 /nfs/dbraw/zinc/26/23/99/557262399.db2.gz TVJVDFADIGXSNN-LBPRGKRZSA-N 0 0 446.769 5.059 40 0 IKABRN CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2Br)cc1 ZINC000408841927 557262838 /nfs/dbraw/zinc/26/28/38/557262838.db2.gz IQZBMXCNMNXEGU-RCCKNPSSSA-N 0 0 448.320 5.077 40 0 IKABRN C[C@H]1C(=O)[C@@H](O)C[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000100517735 557263403 /nfs/dbraw/zinc/26/34/03/557263403.db2.gz DSEKYWAQQVUQTP-HTLOPDRHSA-N 0 0 442.728 7.428 40 0 IKABRN O=C1/C(=C\c2ccncc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 ZINC000408843201 557264819 /nfs/dbraw/zinc/26/48/19/557264819.db2.gz QVWUPNQLLVDFAL-CPNJWEJPSA-N 0 0 438.712 5.332 40 0 IKABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219764346 557267440 /nfs/dbraw/zinc/26/74/40/557267440.db2.gz NYFHEBSGLVQNFL-UHFFFAOYSA-N 0 0 436.939 5.557 40 0 IKABRN NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CCc2ccccc2F)CC1 ZINC000100657894 557267527 /nfs/dbraw/zinc/26/75/27/557267527.db2.gz MTBKBOGQJBDGSK-MAEOIBBWSA-N 0 0 438.568 5.162 40 0 IKABRN COc1cc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c(OC)cc1Cl ZINC000219766997 557267782 /nfs/dbraw/zinc/26/77/82/557267782.db2.gz GRNXOLIBNANQBF-UHFFFAOYSA-N 0 0 432.303 5.842 40 0 IKABRN CC(C)Oc1ccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219770863 557267788 /nfs/dbraw/zinc/26/77/88/557267788.db2.gz OAZADGBDVZSPER-UHFFFAOYSA-N 0 0 437.967 6.069 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219767402 557267795 /nfs/dbraw/zinc/26/77/95/557267795.db2.gz HPJREZRYVYMMCI-UHFFFAOYSA-N 0 0 427.931 6.438 40 0 IKABRN CCOc1ccc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1OCC ZINC000219767915 557267821 /nfs/dbraw/zinc/26/78/21/557267821.db2.gz NWZJNLGTPBNDCT-UHFFFAOYSA-N 0 0 439.939 5.646 40 0 IKABRN COc1ccc(OC[C@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219769120 557267926 /nfs/dbraw/zinc/26/79/26/557267926.db2.gz MHGKDCYVZDSERI-KRWDZBQOSA-N 0 0 425.912 5.125 40 0 IKABRN Cc1cccc(-c2noc(CNC(=O)c3cc(Cl)ccc3OCc3ccccc3)n2)c1 ZINC000219775443 557268064 /nfs/dbraw/zinc/26/80/64/557268064.db2.gz LJBOOIGHJDNTAL-UHFFFAOYSA-N 0 0 433.895 5.207 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219773197 557268102 /nfs/dbraw/zinc/26/81/02/557268102.db2.gz BXKTVOLXXJFEBV-DEOSSOPVSA-N 0 0 437.967 6.445 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219773123 557268169 /nfs/dbraw/zinc/26/81/69/557268169.db2.gz BXKTVOLXXJFEBV-XMMPIXPASA-N 0 0 437.967 6.445 40 0 IKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cccc2C)c1 ZINC000013025914 557269249 /nfs/dbraw/zinc/26/92/49/557269249.db2.gz TWRWNUPJVZJUGR-RUZDIDTESA-N 0 0 446.547 5.352 40 0 IKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cccc2C)c1 ZINC000013025916 557269607 /nfs/dbraw/zinc/26/96/07/557269607.db2.gz TWRWNUPJVZJUGR-VWLOTQADSA-N 0 0 446.547 5.352 40 0 IKABRN O=C(NCCSCc1cccc(Cl)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000219837589 557269737 /nfs/dbraw/zinc/26/97/37/557269737.db2.gz QKPARXLUZUENTG-UHFFFAOYSA-N 0 0 446.399 6.236 40 0 IKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cccc2C)cc1 ZINC000013026646 557269924 /nfs/dbraw/zinc/26/99/24/557269924.db2.gz VBJIEPQWOOMZKI-VWLOTQADSA-N 0 0 446.547 5.352 40 0 IKABRN Cc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013026880 557270088 /nfs/dbraw/zinc/27/00/88/557270088.db2.gz CVQHFTXWJWPNQH-RUZDIDTESA-N 0 0 430.548 5.339 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1 ZINC000013026844 557270098 /nfs/dbraw/zinc/27/00/98/557270098.db2.gz QKXKZOJFBHXPEA-SANMLTNESA-N 0 0 444.575 5.381 40 0 IKABRN Cc1cccc(CCN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013026945 557270233 /nfs/dbraw/zinc/27/02/33/557270233.db2.gz KNEBWPZAFURYFX-RUZDIDTESA-N 0 0 430.548 5.073 40 0 IKABRN Cc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013026882 557270248 /nfs/dbraw/zinc/27/02/48/557270248.db2.gz CVQHFTXWJWPNQH-VWLOTQADSA-N 0 0 430.548 5.339 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000219846917 557270300 /nfs/dbraw/zinc/27/03/00/557270300.db2.gz YABNBIFTSZUUCK-HSZRJFAPSA-N 0 0 435.951 6.260 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(OC)c(OC)c1 ZINC000219847342 557270337 /nfs/dbraw/zinc/27/03/37/557270337.db2.gz CCPZIWYVRRSXHP-JOCHJYFZSA-N 0 0 439.939 5.817 40 0 IKABRN CCCc1nc2sc(C)c(C)c2c(SCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000013027932 557271487 /nfs/dbraw/zinc/27/14/87/557271487.db2.gz OEUVYSLHQCAIHN-UHFFFAOYSA-N 0 0 439.528 6.010 40 0 IKABRN COc1ccc(C(=O)NC[C@H]2CC[C@H](c3ncc(Cl)cc3-c3ccncc3)CC2)s1 ZINC000100729257 557272141 /nfs/dbraw/zinc/27/21/41/557272141.db2.gz BYWHUEPUXRTECY-WOVMCDHWSA-N 0 0 441.984 5.571 40 0 IKABRN Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CCc3ccccc3F)CC2)n1 ZINC000100738860 557273144 /nfs/dbraw/zinc/27/31/44/557273144.db2.gz ZGJHIGKLIYZYQV-IQGASKDCSA-N 0 0 432.543 5.009 40 0 IKABRN Cc1ncccc1C(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 ZINC000100738896 557273375 /nfs/dbraw/zinc/27/33/75/557273375.db2.gz QTZXPRIJPSAGHF-TYKWCNGQSA-N 0 0 429.568 5.069 40 0 IKABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 ZINC000013025547 557274573 /nfs/dbraw/zinc/27/45/73/557274573.db2.gz UOHDDJOFYLRMGA-RUZDIDTESA-N 0 0 446.547 5.434 40 0 IKABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 ZINC000013025549 557274602 /nfs/dbraw/zinc/27/46/02/557274602.db2.gz UOHDDJOFYLRMGA-VWLOTQADSA-N 0 0 446.547 5.434 40 0 IKABRN Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)on1 ZINC000100743891 557274901 /nfs/dbraw/zinc/27/49/01/557274901.db2.gz CYSOJEYJVWRUJI-ZCNNSNEGSA-N 0 0 436.600 5.484 40 0 IKABRN Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccncc3C)CC2)on1 ZINC000100743913 557274920 /nfs/dbraw/zinc/27/49/20/557274920.db2.gz KQCVWQSOYPJZNO-KDURUIRLSA-N 0 0 447.583 5.145 40 0 IKABRN CCOc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013025633 557274940 /nfs/dbraw/zinc/27/49/40/557274940.db2.gz AQDUPAAMUPMKDX-JOCHJYFZSA-N 0 0 438.549 5.187 40 0 IKABRN Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3oc4ccccc4c3C)CC2)on1 ZINC000100744063 557275059 /nfs/dbraw/zinc/27/50/59/557275059.db2.gz NZBSTTRQUIQIOZ-HDICACEKSA-N 0 0 432.524 5.142 40 0 IKABRN Cc1cnccc1-c1c[nH]nc1[C@H]1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000100744884 557275721 /nfs/dbraw/zinc/27/57/21/557275721.db2.gz BOICJRSLPTVTEE-CALCHBBNSA-N 0 0 442.485 5.503 40 0 IKABRN O=C(c1cc2sccc2n1Cc1ccccc1)N(Cc1ccco1)Cc1cccs1 ZINC000013083058 557276292 /nfs/dbraw/zinc/27/62/92/557276292.db2.gz MJSMONKOEOZVIS-UHFFFAOYSA-N 0 0 432.570 6.248 40 0 IKABRN Cc1nc(C)c(C(=O)N(c2ccc(C)c(C)c2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)s1 ZINC000013084433 557277413 /nfs/dbraw/zinc/27/74/13/557277413.db2.gz IDOJWGJXENULSV-JOCHJYFZSA-N 0 0 449.620 5.680 40 0 IKABRN Cc1ccc(CNC(=O)CSc2nc(-c3ccc(F)cc3)nc3cc(C)ccc32)cc1 ZINC000013084559 557277768 /nfs/dbraw/zinc/27/77/68/557277768.db2.gz WJRMLPRSIWQMFO-UHFFFAOYSA-N 0 0 431.536 5.461 40 0 IKABRN Cc1ccc(CNC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc32)cc1 ZINC000013084524 557277796 /nfs/dbraw/zinc/27/77/96/557277796.db2.gz OAIBJIKIHVGUQP-UHFFFAOYSA-N 0 0 433.964 5.667 40 0 IKABRN O=C(Nc1ccccc1)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000100912583 557278411 /nfs/dbraw/zinc/27/84/11/557278411.db2.gz SLILXNMJPQWWCE-HXUWFJFHSA-N 0 0 436.920 5.017 40 0 IKABRN COc1ccc(NC(=O)CSc2nnc3c4ccccc4nc(C4CCCCC4)n23)cc1 ZINC000013086069 557280386 /nfs/dbraw/zinc/28/03/86/557280386.db2.gz NLMNGJKVXHCLGA-UHFFFAOYSA-N 0 0 447.564 5.065 40 0 IKABRN Cc1ccc(COc2c(Cl)cc(/C=C3/SC(=O)N(C(C)C)C3=O)cc2Cl)cc1 ZINC000409022409 557281895 /nfs/dbraw/zinc/28/18/95/557281895.db2.gz NCNSACICKIQGMF-VCHYOVAHSA-N 0 0 436.360 6.326 40 0 IKABRN CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409053399 557283633 /nfs/dbraw/zinc/28/36/33/557283633.db2.gz JSRGJFCYGLXOIZ-DHDCSXOGSA-N 0 0 428.724 6.286 40 0 IKABRN CC(C)N1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409058320 557286441 /nfs/dbraw/zinc/28/64/41/557286441.db2.gz NROJRYDOLPHBGU-MFOYZWKCSA-N 0 0 440.323 6.156 40 0 IKABRN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000101487122 557293183 /nfs/dbraw/zinc/29/31/83/557293183.db2.gz BZNIIOGSANMIET-JRNSEXLBSA-N 0 0 442.728 7.238 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2CC)cc1 ZINC000014071278 557297635 /nfs/dbraw/zinc/29/76/35/557297635.db2.gz JYEIEPNSRIGLFB-UHFFFAOYSA-N 0 0 445.386 5.021 40 0 IKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Br)cc1 ZINC000014071196 557297676 /nfs/dbraw/zinc/29/76/76/557297676.db2.gz RJMTXAUIZGSSNU-UHFFFAOYSA-N 0 0 443.197 6.327 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Br)cc1 ZINC000014071263 557297710 /nfs/dbraw/zinc/29/77/10/557297710.db2.gz HXODSEQHQRGQTK-UHFFFAOYSA-N 0 0 445.386 5.075 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1 ZINC000014081550 557300545 /nfs/dbraw/zinc/30/05/45/557300545.db2.gz ZEBIPTCIGCNTBA-UHFFFAOYSA-N 0 0 425.316 5.142 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(F)cc1 ZINC000014081548 557300595 /nfs/dbraw/zinc/30/05/95/557300595.db2.gz VLHJNDKIJLPAEH-UHFFFAOYSA-N 0 0 425.316 5.142 40 0 IKABRN Cc1ccc([C@@H](O)[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000102705191 557305893 /nfs/dbraw/zinc/30/58/93/557305893.db2.gz YWKQZWIISXPLLT-GDAXGPMHSA-N 0 0 443.568 6.133 40 0 IKABRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccs2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102717186 557306226 /nfs/dbraw/zinc/30/62/26/557306226.db2.gz QNLQEZCOMBQHPE-QRVBRYPASA-N 0 0 445.327 5.106 40 0 IKABRN O=C1[C@@H]2[C@H](c3cccc(Cl)c3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736179 557306720 /nfs/dbraw/zinc/30/67/20/557306720.db2.gz SALBNUSWSPILRS-HKBOAZHASA-N 0 0 439.298 5.045 40 0 IKABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736176 557306836 /nfs/dbraw/zinc/30/68/36/557306836.db2.gz SALBNUSWSPILRS-ACRUOGEOSA-N 0 0 439.298 5.045 40 0 IKABRN O=C1[C@@H]2[C@H](c3cccs3)N(c3ccccc3)O[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102752128 557307526 /nfs/dbraw/zinc/30/75/26/557307526.db2.gz GCVWRKJCELMRCW-NEWSRXKRSA-N 0 0 445.327 5.106 40 0 IKABRN CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220695511 557307672 /nfs/dbraw/zinc/30/76/72/557307672.db2.gz DHGNCJBGDGALFJ-GOSISDBHSA-N 0 0 443.396 5.048 40 0 IKABRN CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220695363 557307695 /nfs/dbraw/zinc/30/76/95/557307695.db2.gz LRWLHYXHWGUCEH-IBGZPJMESA-N 0 0 443.396 5.300 40 0 IKABRN CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220695581 557307729 /nfs/dbraw/zinc/30/77/29/557307729.db2.gz DHGNCJBGDGALFJ-SFHVURJKSA-N 0 0 443.396 5.048 40 0 IKABRN CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220703830 557308774 /nfs/dbraw/zinc/30/87/74/557308774.db2.gz GPNUYPBHNYVJOL-IBGZPJMESA-N 0 0 443.396 5.300 40 0 IKABRN O=C(NCc1ccccc1)c1ccc(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000013304722 557308857 /nfs/dbraw/zinc/30/88/57/557308857.db2.gz YYHSAHNYTUJYIX-UHFFFAOYSA-N 0 0 443.524 5.242 40 0 IKABRN CC[C@@H](C)N(C(=O)NCCCCCCNC(=O)N([C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC ZINC000013303251 557308859 /nfs/dbraw/zinc/30/88/59/557308859.db2.gz IKUIGTIMDRBBOP-MYGLTJDJSA-N 0 0 426.690 5.764 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)C1CCCCC1 ZINC000013388570 557309592 /nfs/dbraw/zinc/30/95/92/557309592.db2.gz KHPJJTZHWVEELD-UHFFFAOYSA-N 0 0 428.554 5.231 40 0 IKABRN CCCC[C@H]1c2c3ccccc3[nH]c2[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@@H]1CCC ZINC000102921367 557309840 /nfs/dbraw/zinc/30/98/40/557309840.db2.gz PMONBFSPMKSPTJ-OUYJLQGDSA-N 0 0 444.575 6.153 40 0 IKABRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1cc(Cl)ccc1Cl ZINC000032604144 557314050 /nfs/dbraw/zinc/31/40/50/557314050.db2.gz HHRULVYUIQGLOB-UHFFFAOYSA-N 0 0 437.327 5.457 40 0 IKABRN O=C(/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1)c1ccc(Br)cc1 ZINC000102431492 557322265 /nfs/dbraw/zinc/32/22/65/557322265.db2.gz FMJCYDJCIHFNAL-FLFQWRMESA-N 0 0 436.334 5.104 40 0 IKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@@H]2c1cccs1 ZINC000104231607 557322731 /nfs/dbraw/zinc/32/27/31/557322731.db2.gz DHSMPEWOPPHIJF-RUZDIDTESA-N 0 0 449.620 6.073 40 0 IKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@H]2c1ccco1 ZINC000104231407 557322794 /nfs/dbraw/zinc/32/27/94/557322794.db2.gz ZYDHYVMQETZOQF-VWLOTQADSA-N 0 0 433.552 5.604 40 0 IKABRN CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC ZINC000104231370 557322800 /nfs/dbraw/zinc/32/28/00/557322800.db2.gz IIRBTOFLKIXUSE-AREMUKBSSA-N 0 0 447.579 5.487 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NCc1cccs1 ZINC000104231777 557323000 /nfs/dbraw/zinc/32/30/00/557323000.db2.gz FNEQDSNEWLSPGT-DEOSSOPVSA-N 0 0 433.533 5.287 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NCc1ccc(F)cc1 ZINC000104231759 557323063 /nfs/dbraw/zinc/32/30/63/557323063.db2.gz PXAJBASZZHTCPF-SANMLTNESA-N 0 0 445.494 5.365 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NCc1cccs1 ZINC000104231782 557323080 /nfs/dbraw/zinc/32/30/80/557323080.db2.gz FNEQDSNEWLSPGT-XMMPIXPASA-N 0 0 433.533 5.287 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)cc1C ZINC000024226912 557324370 /nfs/dbraw/zinc/32/43/70/557324370.db2.gz GCZOQXILSMEVNS-UHFFFAOYSA-N 0 0 449.967 5.330 40 0 IKABRN Clc1cccc([C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000104339822 557325553 /nfs/dbraw/zinc/32/55/53/557325553.db2.gz WCSYSQZEDFGLRT-HKBQPEDESA-N 0 0 445.005 8.507 40 0 IKABRN COc1ccc(N(C(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013496055 557326384 /nfs/dbraw/zinc/32/63/84/557326384.db2.gz MPCXMQLVUPEFFT-QHCPKHFHSA-N 0 0 434.561 5.204 40 0 IKABRN COc1ccc(N(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013496054 557326422 /nfs/dbraw/zinc/32/64/22/557326422.db2.gz MPCXMQLVUPEFFT-HSZRJFAPSA-N 0 0 434.561 5.204 40 0 IKABRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 ZINC000071928249 557326704 /nfs/dbraw/zinc/32/67/04/557326704.db2.gz CAHGCLMLTWQZNJ-ZSLNGYDASA-N 0 0 426.729 8.479 40 0 IKABRN O=C(Cc1cccs1)N(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498209 557327214 /nfs/dbraw/zinc/32/72/14/557327214.db2.gz PJBLCIMBELYGMF-XMMPIXPASA-N 0 0 436.552 5.263 40 0 IKABRN Cc1cc(C)cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1 ZINC000013497797 557327249 /nfs/dbraw/zinc/32/72/49/557327249.db2.gz VDEXKGYUFUWFCJ-RUZDIDTESA-N 0 0 447.604 5.136 40 0 IKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)c1 ZINC000013498006 557327298 /nfs/dbraw/zinc/32/72/98/557327298.db2.gz AJOZMHFKSTYTKY-VWLOTQADSA-N 0 0 448.588 5.133 40 0 IKABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(OCC)cc1 ZINC000013497919 557327308 /nfs/dbraw/zinc/32/73/08/557327308.db2.gz SHBYQTPVJZBJGK-XMMPIXPASA-N 0 0 442.625 5.118 40 0 IKABRN Cc1cc(C)cc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1 ZINC000013497798 557327312 /nfs/dbraw/zinc/32/73/12/557327312.db2.gz VDEXKGYUFUWFCJ-VWLOTQADSA-N 0 0 447.604 5.136 40 0 IKABRN COc1ccc([C@@H]2CC(=O)[C@@H]3C(=Nc4ccccc4N[C@H]3c3cccc(OC)c3)C2)cc1 ZINC000104617897 557327373 /nfs/dbraw/zinc/32/73/73/557327373.db2.gz VZHCYLJSQCXOOA-DOYMOWJKSA-N 0 0 426.516 6.189 40 0 IKABRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498351 557327553 /nfs/dbraw/zinc/32/75/53/557327553.db2.gz BPPGTVSEORHZLG-RUZDIDTESA-N 0 0 432.589 5.120 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 ZINC000013498284 557327571 /nfs/dbraw/zinc/32/75/71/557327571.db2.gz NYMIPFOKKBEWSQ-DEOSSOPVSA-N 0 0 436.577 5.021 40 0 IKABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498337 557327628 /nfs/dbraw/zinc/32/76/28/557327628.db2.gz TVKQQZLETSKJFV-AREMUKBSSA-N 0 0 446.616 5.162 40 0 IKABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498407 557327801 /nfs/dbraw/zinc/32/78/01/557327801.db2.gz SYAGFNOHSVUYIB-RUZDIDTESA-N 0 0 432.589 5.432 40 0 IKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c(C)c1 ZINC000013498416 557327812 /nfs/dbraw/zinc/32/78/12/557327812.db2.gz FAQGQGCPCLFWSQ-SANMLTNESA-N 0 0 446.616 5.741 40 0 IKABRN Cc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498420 557327836 /nfs/dbraw/zinc/32/78/36/557327836.db2.gz FKWGVGKCZFPIMM-VWLOTQADSA-N 0 0 432.589 5.432 40 0 IKABRN Cc1sc2nc(C3CCCCC3)nc(SCC(=O)c3c[nH]c4ccccc43)c2c1C ZINC000013499938 557329328 /nfs/dbraw/zinc/32/93/28/557329328.db2.gz XFMKTOGDTWEQLB-UHFFFAOYSA-N 0 0 435.618 6.812 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)c4ccc(Cl)cc4)nnc3c2c1C ZINC000013499965 557329582 /nfs/dbraw/zinc/32/95/82/557329582.db2.gz HJGMVWQNNLQKLR-UHFFFAOYSA-N 0 0 430.986 5.708 40 0 IKABRN CCCCc1nc2c(ncc(NC(=O)c3ccccc3Cl)c2C)n1Cc1ccccc1 ZINC000013500028 557329599 /nfs/dbraw/zinc/32/95/99/557329599.db2.gz IBKYIUBXOVRMOV-UHFFFAOYSA-N 0 0 432.955 6.036 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4cc(C)cc(C)c4)nnc3c2c1C ZINC000013499976 557329623 /nfs/dbraw/zinc/32/96/23/557329623.db2.gz JFCPTAQNQRYEJT-UHFFFAOYSA-N 0 0 439.610 5.427 40 0 IKABRN CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc(OC)cc1 ZINC000013509661 557331421 /nfs/dbraw/zinc/33/14/21/557331421.db2.gz YBTQPFVIXCMHSG-UHFFFAOYSA-N 0 0 428.536 5.392 40 0 IKABRN CCCCc1nc2c(ncc(NC(=O)c3ccccc3)c2C)n1Cc1ccc(Cl)cc1 ZINC000013509787 557331712 /nfs/dbraw/zinc/33/17/12/557331712.db2.gz ATUUHMNCCVNDEV-UHFFFAOYSA-N 0 0 432.955 6.036 40 0 IKABRN COCCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nnc(-c2ccc(F)cc2)s1 ZINC000013510026 557331721 /nfs/dbraw/zinc/33/17/21/557331721.db2.gz QGXDKSVULADQCS-UHFFFAOYSA-N 0 0 433.508 5.304 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000105550618 557331781 /nfs/dbraw/zinc/33/17/81/557331781.db2.gz RCKBKFFHADYUBF-UHFFFAOYSA-N 0 0 440.377 5.392 40 0 IKABRN Cc1cccc(NC(=O)N(Cc2ccc(Cl)cc2)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000013511427 557332254 /nfs/dbraw/zinc/33/22/54/557332254.db2.gz LUPDCZLIZRGUDH-UHFFFAOYSA-N 0 0 432.911 5.119 40 0 IKABRN COc1cccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccoc2C)c1 ZINC000013512076 557332831 /nfs/dbraw/zinc/33/28/31/557332831.db2.gz PJWHZPYLJAPGSY-UHFFFAOYSA-N 0 0 448.548 5.192 40 0 IKABRN CCCCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccoc1C ZINC000013512286 557333355 /nfs/dbraw/zinc/33/33/55/557333355.db2.gz WJSRBFHBSCZWEP-UHFFFAOYSA-N 0 0 449.374 5.140 40 0 IKABRN CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000013512771 557333797 /nfs/dbraw/zinc/33/37/97/557333797.db2.gz UXMIBIPRTLOHIO-UHFFFAOYSA-N 0 0 446.517 6.134 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)cc2c1 ZINC000013513931 557334969 /nfs/dbraw/zinc/33/49/69/557334969.db2.gz BJYOKMWSJFZUKO-UHFFFAOYSA-N 0 0 442.390 7.135 40 0 IKABRN Cc1cccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCCCC2)c1 ZINC000013513918 557335046 /nfs/dbraw/zinc/33/50/46/557335046.db2.gz DFTKTTMGEXUIAF-UHFFFAOYSA-N 0 0 435.999 7.180 40 0 IKABRN COc1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)c(OC)c1 ZINC000033514654 557335811 /nfs/dbraw/zinc/33/58/11/557335811.db2.gz FRXVOQDVJBQSKB-UHFFFAOYSA-N 0 0 445.441 5.039 40 0 IKABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NC3CCCCCCC3)cc2)S(C)(=O)=O)c1 ZINC000222384118 557337031 /nfs/dbraw/zinc/33/70/31/557337031.db2.gz SMVRBEMNOYTGJT-UHFFFAOYSA-N 0 0 442.625 5.112 40 0 IKABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)NC3CCCCCCC3)cc2)S(C)(=O)=O)c1 ZINC000222386606 557337240 /nfs/dbraw/zinc/33/72/40/557337240.db2.gz RMZIWZXXJACQRM-UHFFFAOYSA-N 0 0 442.625 5.112 40 0 IKABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1 ZINC000222386009 557337244 /nfs/dbraw/zinc/33/72/44/557337244.db2.gz FQVFRXKAAHAZFT-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccccn1)c1cccc(F)c1 ZINC000013502137 557337358 /nfs/dbraw/zinc/33/73/58/557337358.db2.gz WAUVHKFKVWUMOW-XMMPIXPASA-N 0 0 449.501 5.197 40 0 IKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1)C(=O)c1ccccn1 ZINC000013502133 557337362 /nfs/dbraw/zinc/33/73/62/557337362.db2.gz CLRQLFWAMDMZPW-RUZDIDTESA-N 0 0 445.538 5.053 40 0 IKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1ccccn1 ZINC000013502156 557337379 /nfs/dbraw/zinc/33/73/79/557337379.db2.gz ARHCETCYZZERJX-DEOSSOPVSA-N 0 0 447.604 5.284 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Br)c(OCC)c(Br)c2)C1=O ZINC000409237383 557337527 /nfs/dbraw/zinc/33/75/27/557337527.db2.gz UEQKXCKWVQKHJS-XYOKQWHBSA-N 0 0 449.164 5.057 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000222388177 557337585 /nfs/dbraw/zinc/33/75/85/557337585.db2.gz BRXHABUSOCWTLY-UHFFFAOYSA-N 0 0 446.931 5.006 40 0 IKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1ccccn1)c1cccc(F)c1 ZINC000013502421 557337671 /nfs/dbraw/zinc/33/76/71/557337671.db2.gz NQPDPQHEMBGMCZ-DEOSSOPVSA-N 0 0 431.511 5.058 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222399108 557338211 /nfs/dbraw/zinc/33/82/11/557338211.db2.gz QANHRPDXVNLRRL-XMMPIXPASA-N 0 0 438.612 5.003 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222399043 557338232 /nfs/dbraw/zinc/33/82/32/557338232.db2.gz QANHRPDXVNLRRL-DEOSSOPVSA-N 0 0 438.612 5.003 40 0 IKABRN Cc1ccc(C(=O)c2c3c(c4ccccn42)-c2nc4ccccc4n2C2(CCCC2)N3)cc1 ZINC000257173728 557338302 /nfs/dbraw/zinc/33/83/02/557338302.db2.gz VSYUTHAZPLIYMK-UHFFFAOYSA-N 0 0 432.527 6.148 40 0 IKABRN Cc1occc1C(=O)N(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013503533 557338460 /nfs/dbraw/zinc/33/84/60/557338460.db2.gz RJXUDPRPLFQADU-XMMPIXPASA-N 0 0 434.511 5.564 40 0 IKABRN CCc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 ZINC000013503541 557338481 /nfs/dbraw/zinc/33/84/81/557338481.db2.gz VWAIVLZHCANVGB-AREMUKBSSA-N 0 0 444.575 5.987 40 0 IKABRN Cc1occc1C(=O)N(c1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000013503536 557338485 /nfs/dbraw/zinc/33/84/85/557338485.db2.gz ZHNAYRMQDASAOI-VWLOTQADSA-N 0 0 442.490 5.432 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000222414373 557339161 /nfs/dbraw/zinc/33/91/61/557339161.db2.gz KDBJPWYZPWCEKQ-QFIPXVFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222414585 557339166 /nfs/dbraw/zinc/33/91/66/557339166.db2.gz BMTAHYAWQGMARI-JOCHJYFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222415017 557339184 /nfs/dbraw/zinc/33/91/84/557339184.db2.gz ZNJNDHSRDHZJFL-JOCHJYFZSA-N 0 0 447.044 5.463 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222445659 557340547 /nfs/dbraw/zinc/34/05/47/557340547.db2.gz LZMWDVGHRFDZGY-DEOSSOPVSA-N 0 0 438.612 5.003 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222456669 557340776 /nfs/dbraw/zinc/34/07/76/557340776.db2.gz BUTWIAAQCPINMD-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1N(C)S(C)(=O)=O ZINC000222455209 557340784 /nfs/dbraw/zinc/34/07/84/557340784.db2.gz JPRQHVRTLBMLPX-UHFFFAOYSA-N 0 0 444.940 5.089 40 0 IKABRN Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc(C)c(C)c4)cc23)cc1 ZINC000013564705 557341034 /nfs/dbraw/zinc/34/10/34/557341034.db2.gz MOVIYJFQVKADPE-UHFFFAOYSA-N 0 0 434.543 5.918 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222457101 557341019 /nfs/dbraw/zinc/34/10/19/557341019.db2.gz RDFLJLJDZWNDHG-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215650 557341224 /nfs/dbraw/zinc/34/12/24/557341224.db2.gz QQHSVEQZYBKFQP-HXUWFJFHSA-N 0 0 445.604 6.228 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222460565 557341310 /nfs/dbraw/zinc/34/13/10/557341310.db2.gz RZKODXACURNOPD-QFIPXVFZSA-N 0 0 447.044 5.463 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl ZINC000222459817 557341329 /nfs/dbraw/zinc/34/13/29/557341329.db2.gz AHLDKQCTUKXDGC-QFIPXVFZSA-N 0 0 447.044 5.214 40 0 IKABRN CCCN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 ZINC000072214718 557341459 /nfs/dbraw/zinc/34/14/59/557341459.db2.gz WQURNAZZIVQIGF-UHFFFAOYSA-N 0 0 435.565 5.111 40 0 IKABRN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214614 557341479 /nfs/dbraw/zinc/34/14/79/557341479.db2.gz YSLFVJFRFFZGSA-HXUWFJFHSA-N 0 0 425.529 5.317 40 0 IKABRN CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072214529 557341493 /nfs/dbraw/zinc/34/14/93/557341493.db2.gz FCUDVJIKRNRAOO-HXUWFJFHSA-N 0 0 425.529 5.317 40 0 IKABRN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214613 557341506 /nfs/dbraw/zinc/34/15/06/557341506.db2.gz YSLFVJFRFFZGSA-FQEVSTJZSA-N 0 0 425.529 5.317 40 0 IKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 ZINC000072214898 557341688 /nfs/dbraw/zinc/34/16/88/557341688.db2.gz WOPYPRNMYVQYPP-UHFFFAOYSA-N 0 0 435.565 5.109 40 0 IKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072215015 557341730 /nfs/dbraw/zinc/34/17/30/557341730.db2.gz NANMLYBHNIKVGM-JOCHJYFZSA-N 0 0 437.584 5.991 40 0 IKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072215022 557341747 /nfs/dbraw/zinc/34/17/47/557341747.db2.gz HMYQQMLOKQCIFS-UHFFFAOYSA-N 0 0 435.565 5.111 40 0 IKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215165 557341777 /nfs/dbraw/zinc/34/17/77/557341777.db2.gz OEQHMZAPEUFVEV-MJGOQNOKSA-N 0 0 433.593 6.084 40 0 IKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072215183 557341784 /nfs/dbraw/zinc/34/17/84/557341784.db2.gz UIKMWEODKMIDQO-DENIHFKCSA-N 0 0 437.584 5.989 40 0 IKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215006 557341794 /nfs/dbraw/zinc/34/17/94/557341794.db2.gz YEYSREHBYLNWCQ-IBGZPJMESA-N 0 0 433.593 6.085 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CCCC1 ZINC000072215599 557342342 /nfs/dbraw/zinc/34/23/42/557342342.db2.gz UYEKTUAGTQYIOR-HSZRJFAPSA-N 0 0 449.595 6.133 40 0 IKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217280 557342387 /nfs/dbraw/zinc/34/23/87/557342387.db2.gz IHSFZHHMFZMKTP-QFIPXVFZSA-N 0 0 430.639 5.731 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 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5.708 40 0 IKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(F)(F)F)c3)N21 ZINC000222706101 557376928 /nfs/dbraw/zinc/37/69/28/557376928.db2.gz JRSPQRWYQMMQSH-ZLGUVYLKSA-N 0 0 442.510 5.871 40 0 IKABRN COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O ZINC000033906690 557376966 /nfs/dbraw/zinc/37/69/66/557376966.db2.gz HORBLPIYENOYJM-STOWSJARSA-N 0 0 449.591 5.432 40 0 IKABRN Cc1ccccc1CN(C(=O)CCc1cccc2ccccc21)[C@H](C)C(=O)NC(C)(C)C ZINC000222708139 557377300 /nfs/dbraw/zinc/37/73/00/557377300.db2.gz PQCJVWUJQRFFSS-OAQYLSRUSA-N 0 0 430.592 5.413 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222713459 557377516 /nfs/dbraw/zinc/37/75/16/557377516.db2.gz JZHGKRDGGUXIIN-INIZCTEOSA-N 0 0 449.422 5.387 40 0 IKABRN Cc1ccccc1CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C ZINC000222711532 557377572 /nfs/dbraw/zinc/37/75/72/557377572.db2.gz HKDNQOMSLDDVJR-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)N21 ZINC000222713265 557377601 /nfs/dbraw/zinc/37/76/01/557377601.db2.gz HVDXZQGETAPWNK-HBUDHLSFSA-N 0 0 444.387 6.628 40 0 IKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)N21 ZINC000222713390 557377640 /nfs/dbraw/zinc/37/76/40/557377640.db2.gz HVDXZQGETAPWNK-OBVPDXSSSA-N 0 0 444.387 6.628 40 0 IKABRN Cc1cccc(CN(C(=O)CSCc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222714310 557378026 /nfs/dbraw/zinc/37/80/26/557378026.db2.gz PEMSJELLBXYPAS-SFHVURJKSA-N 0 0 447.044 5.214 40 0 IKABRN Cc1cccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222715097 557378392 /nfs/dbraw/zinc/37/83/92/557378392.db2.gz SZWXNTMUSHHTIQ-GOSISDBHSA-N 0 0 447.044 5.463 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCSCc1cccc(Cl)c1 ZINC000222716684 557378459 /nfs/dbraw/zinc/37/84/59/557378459.db2.gz MUIKSIUUVKGIQX-UHFFFAOYSA-N 0 0 434.841 5.930 40 0 IKABRN COc1cc(CNC(=O)CSCc2ccc(Cl)cc2Cl)ccc1OC(C)C ZINC000222722675 557379272 /nfs/dbraw/zinc/37/92/72/557379272.db2.gz NSFLSTSCQFPEHN-UHFFFAOYSA-N 0 0 428.381 5.339 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)c1ccccc1 ZINC000222724999 557379513 /nfs/dbraw/zinc/37/95/13/557379513.db2.gz XDFOOSNLKTXSKG-UHFFFAOYSA-N 0 0 430.356 6.096 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc21 ZINC000222726643 557379874 /nfs/dbraw/zinc/37/98/74/557379874.db2.gz JXGFXYUYOKQTOY-INIZCTEOSA-N 0 0 443.374 5.243 40 0 IKABRN Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3Cl)n2)c1 ZINC000222729915 557380326 /nfs/dbraw/zinc/38/03/26/557380326.db2.gz HREHBIDNCAVNKI-UHFFFAOYSA-N 0 0 436.364 5.244 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000222729722 557380363 /nfs/dbraw/zinc/38/03/63/557380363.db2.gz NRMRYZJWIGNDAC-UHFFFAOYSA-N 0 0 442.755 5.246 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222729981 557380399 /nfs/dbraw/zinc/38/03/99/557380399.db2.gz SSDNENJNQBFRLA-LLVKDONJSA-N 0 0 448.177 5.006 40 0 IKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222732864 557380871 /nfs/dbraw/zinc/38/08/71/557380871.db2.gz IXCFALQPRHDEBL-NRFANRHFSA-N 0 0 436.640 5.557 40 0 IKABRN CC[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000222732779 557380874 /nfs/dbraw/zinc/38/08/74/557380874.db2.gz LULOZBLWBDOOIN-QGZVFWFLSA-N 0 0 428.381 5.511 40 0 IKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222732927 557380903 /nfs/dbraw/zinc/38/09/03/557380903.db2.gz IXCFALQPRHDEBL-OAQYLSRUSA-N 0 0 436.640 5.557 40 0 IKABRN CC[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000222732841 557380936 /nfs/dbraw/zinc/38/09/36/557380936.db2.gz LULOZBLWBDOOIN-KRWDZBQOSA-N 0 0 428.381 5.511 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222738225 557381489 /nfs/dbraw/zinc/38/14/89/557381489.db2.gz UWWICHIEBHSOOV-QFIPXVFZSA-N 0 0 449.422 5.485 40 0 IKABRN Cc1cccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222745732 557382265 /nfs/dbraw/zinc/38/22/65/557382265.db2.gz DXJQQKCQGOSNOW-FQEVSTJZSA-N 0 0 438.612 5.003 40 0 IKABRN Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222747483 557382385 /nfs/dbraw/zinc/38/23/85/557382385.db2.gz VMVARPLFKOHGDR-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN CC(C)c1ccc(NC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000113962870 557382425 /nfs/dbraw/zinc/38/24/25/557382425.db2.gz ACJUMBOZFRHIFS-UHFFFAOYSA-N 0 0 442.503 5.014 40 0 IKABRN Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222747179 557382450 /nfs/dbraw/zinc/38/24/50/557382450.db2.gz CYRSTZSPOATZIZ-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222747095 557382510 /nfs/dbraw/zinc/38/25/10/557382510.db2.gz CRNYXZUHZDARQT-MRXNPFEDSA-N 0 0 435.395 5.176 40 0 IKABRN CCCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628440 557382628 /nfs/dbraw/zinc/38/26/28/557382628.db2.gz JMFQEOKKVMTQQY-UHFFFAOYSA-N 0 0 444.575 6.668 40 0 IKABRN Cc1ccc(CN(C(=O)CSCc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222750150 557382709 /nfs/dbraw/zinc/38/27/09/557382709.db2.gz DAQHNLOQQBUMAP-SFHVURJKSA-N 0 0 447.044 5.214 40 0 IKABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000113963122 557382780 /nfs/dbraw/zinc/38/27/80/557382780.db2.gz WFKOSEOAXFUVDG-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222759120 557383541 /nfs/dbraw/zinc/38/35/41/557383541.db2.gz DIWJQBIRMZVYOE-UHFFFAOYSA-N 0 0 436.335 6.797 40 0 IKABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000113965359 557383590 /nfs/dbraw/zinc/38/35/90/557383590.db2.gz ZWFPRJXQEYZKRE-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1ccc(Cl)cc1F ZINC000222761199 557383939 /nfs/dbraw/zinc/38/39/39/557383939.db2.gz NOSCTYWXEHBWJO-UHFFFAOYSA-N 0 0 440.327 5.074 40 0 IKABRN C[C@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222765546 557384117 /nfs/dbraw/zinc/38/41/17/557384117.db2.gz ZBNIDVLTVZRUQQ-HXUWFJFHSA-N 0 0 434.967 5.006 40 0 IKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222768693 557384701 /nfs/dbraw/zinc/38/47/01/557384701.db2.gz IKZZRTDULBSSHP-NRFANRHFSA-N 0 0 436.640 5.557 40 0 IKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222768737 557384723 /nfs/dbraw/zinc/38/47/23/557384723.db2.gz IKZZRTDULBSSHP-OAQYLSRUSA-N 0 0 436.640 5.557 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222777008 557385924 /nfs/dbraw/zinc/38/59/24/557385924.db2.gz VBAHQUIJIGWIEQ-NSHDSACASA-N 0 0 448.177 5.006 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000222786481 557386749 /nfs/dbraw/zinc/38/67/49/557386749.db2.gz LAJSUJZKDLBRCG-JOCHJYFZSA-N 0 0 449.422 5.485 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000222786404 557386779 /nfs/dbraw/zinc/38/67/79/557386779.db2.gz LAJSUJZKDLBRCG-QFIPXVFZSA-N 0 0 449.422 5.485 40 0 IKABRN CCC1(CC)C[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000222784332 557386808 /nfs/dbraw/zinc/38/68/08/557386808.db2.gz ZUFMSTCKRFOCSQ-SFHVURJKSA-N 0 0 428.381 5.495 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)NCc2ccc3ccccc3c2)c(Br)c1 ZINC000222786795 557387056 /nfs/dbraw/zinc/38/70/56/557387056.db2.gz PLGSLWQYZNSTHG-UHFFFAOYSA-N 0 0 426.354 5.595 40 0 IKABRN Cc1ccc(SCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222787042 557387123 /nfs/dbraw/zinc/38/71/23/557387123.db2.gz FEVYZATVRQOWON-SFHVURJKSA-N 0 0 447.044 5.463 40 0 IKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222802442 557388204 /nfs/dbraw/zinc/38/82/04/557388204.db2.gz ZJSHWLFHGVBYQL-RTBURBONSA-N 0 0 428.355 5.097 40 0 IKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)cc2Br)o1 ZINC000222805600 557388669 /nfs/dbraw/zinc/38/86/69/557388669.db2.gz GZHLAIILHRTLAG-VQTJNVASSA-N 0 0 442.382 5.405 40 0 IKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222805277 557388701 /nfs/dbraw/zinc/38/87/01/557388701.db2.gz YOJIDVNCYXJUFR-MOPGFXCFSA-N 0 0 446.345 5.236 40 0 IKABRN Cc1ccc(NC(=O)[C@@]23C(=O)Oc4ccccc4[C@@H]2[C@@]3(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000013787976 557388802 /nfs/dbraw/zinc/38/88/02/557388802.db2.gz FYMSBJFVTRXSRW-QGUKFAFCSA-N 0 0 445.902 5.179 40 0 IKABRN Cc1ccc(OCCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222809219 557388908 /nfs/dbraw/zinc/38/89/08/557388908.db2.gz XVRAKXHGWUFAOK-LJQANCHMSA-N 0 0 445.003 5.139 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000222822957 557390331 /nfs/dbraw/zinc/39/03/31/557390331.db2.gz BAVQJYBPJIBKGN-AWEZNQCLSA-N 0 0 439.358 5.007 40 0 IKABRN Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222826859 557390767 /nfs/dbraw/zinc/39/07/67/557390767.db2.gz JGVYVSVOHKLILE-SFHVURJKSA-N 0 0 447.044 5.463 40 0 IKABRN Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222825051 557390802 /nfs/dbraw/zinc/39/08/02/557390802.db2.gz YRRNSFXQRRJKBV-QGZVFWFLSA-N 0 0 433.017 5.073 40 0 IKABRN CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870941 557392027 /nfs/dbraw/zinc/39/20/27/557392027.db2.gz MVALLPFZYDDABR-HZPDHXFCSA-N 0 0 444.988 5.061 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3Cl)n2CC)cc1 ZINC000013870847 557392035 /nfs/dbraw/zinc/39/20/35/557392035.db2.gz YLBMKTPUJPGGBU-HNNXBMFYSA-N 0 0 444.988 5.385 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2Cl)n1CC ZINC000013870845 557392121 /nfs/dbraw/zinc/39/21/21/557392121.db2.gz AXSCZMCKUKIVGR-HNNXBMFYSA-N 0 0 444.988 5.385 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Br)cc3)n2CC)cc1 ZINC000013871451 557392341 /nfs/dbraw/zinc/39/23/41/557392341.db2.gz HUAAVIGWTZRJCH-OAHLLOKOSA-N 0 0 446.414 6.055 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2CC)cc1 ZINC000013871545 557392444 /nfs/dbraw/zinc/39/24/44/557392444.db2.gz FYMDIFJKIFPAMA-GOSISDBHSA-N 0 0 438.597 5.348 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222840294 557392445 /nfs/dbraw/zinc/39/24/45/557392445.db2.gz ULBVPLHCXGRCFU-VQTJNVASSA-N 0 0 430.499 5.272 40 0 IKABRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000013879606 557392806 /nfs/dbraw/zinc/39/28/06/557392806.db2.gz HJTXKOIEGMOCHW-UHFFFAOYSA-N 0 0 444.988 5.186 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013892185 557392871 /nfs/dbraw/zinc/39/28/71/557392871.db2.gz CAXKQRGVQWNRQC-FNORWQNLSA-N 0 0 429.269 5.374 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1Cl ZINC000222844458 557392861 /nfs/dbraw/zinc/39/28/61/557392861.db2.gz NCRGROVZQKSOGI-ZWKOTPCHSA-N 0 0 436.939 5.545 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000222845026 557393141 /nfs/dbraw/zinc/39/31/41/557393141.db2.gz SOSACDURFIGANP-OAQYLSRUSA-N 0 0 448.994 5.350 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222848519 557393696 /nfs/dbraw/zinc/39/36/96/557393696.db2.gz VZSMOBOIKBPBAF-WOJBJXKFSA-N 0 0 432.376 6.029 40 0 IKABRN CCCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222849002 557393788 /nfs/dbraw/zinc/39/37/88/557393788.db2.gz LLNVNUKBHSZAOQ-KRWDZBQOSA-N 0 0 435.395 5.260 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000222853208 557394450 /nfs/dbraw/zinc/39/44/50/557394450.db2.gz POMAELODHMXGQL-GOSISDBHSA-N 0 0 447.044 5.295 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000222857589 557395029 /nfs/dbraw/zinc/39/50/29/557395029.db2.gz LRQDSSQFSXGLQF-INIZCTEOSA-N 0 0 435.395 5.258 40 0 IKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000013842642 557394960 /nfs/dbraw/zinc/39/49/60/557394960.db2.gz JNCRFPDIYVNLLB-UHFFFAOYSA-N 0 0 444.988 5.385 40 0 IKABRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)cc1 ZINC000013842459 557395012 /nfs/dbraw/zinc/39/50/12/557395012.db2.gz MAZBTQPFQGYWOR-UHFFFAOYSA-N 0 0 446.576 5.402 40 0 IKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000013842666 557395016 /nfs/dbraw/zinc/39/50/16/557395016.db2.gz FNZNNEFQKXSBLG-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222861533 557395547 /nfs/dbraw/zinc/39/55/47/557395547.db2.gz FQJOJYYVWFKWNY-GOTSBHOMSA-N 0 0 439.028 5.833 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222861593 557395567 /nfs/dbraw/zinc/39/55/67/557395567.db2.gz FQJOJYYVWFKWNY-PKTZIBPZSA-N 0 0 439.028 5.833 40 0 IKABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222861375 557395574 /nfs/dbraw/zinc/39/55/74/557395574.db2.gz JSUMRJGVCGNKAK-SFHVURJKSA-N 0 0 445.003 5.174 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000222862811 557395592 /nfs/dbraw/zinc/39/55/92/557395592.db2.gz BKBPKCOMVAITAV-AWEZNQCLSA-N 0 0 439.358 5.007 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222866006 557395780 /nfs/dbraw/zinc/39/57/80/557395780.db2.gz VOCLROKIZYWNAU-VQTJNVASSA-N 0 0 431.392 5.562 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222866058 557395837 /nfs/dbraw/zinc/39/58/37/557395837.db2.gz VOCLROKIZYWNAU-WOJBJXKFSA-N 0 0 431.392 5.562 40 0 IKABRN COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000013925310 557396468 /nfs/dbraw/zinc/39/64/68/557396468.db2.gz VZUKWZVXSMOICJ-MOSHPQCFSA-N 0 0 447.874 5.221 40 0 IKABRN Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000013924338 557396494 /nfs/dbraw/zinc/39/64/94/557396494.db2.gz RBHFQQRJERYUJW-HMAPJEAMSA-N 0 0 448.316 5.681 40 0 IKABRN CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000013925233 557396570 /nfs/dbraw/zinc/39/65/70/557396570.db2.gz ZBQKOPYRCJKYIH-ZHZULCJRSA-N 0 0 447.874 5.302 40 0 IKABRN Cc1cccc(COc2ccc(/C=C3\N=C(c4ccccc4Br)OC3=O)cc2)c1 ZINC000013928366 557396811 /nfs/dbraw/zinc/39/68/11/557396811.db2.gz XLQWQYZGTURIDV-HMAPJEAMSA-N 0 0 448.316 5.681 40 0 IKABRN CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000222878860 557397197 /nfs/dbraw/zinc/39/71/97/557397197.db2.gz QJQBTMLSINUGQX-FQEVSTJZSA-N 0 0 426.409 5.763 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000222886643 557398284 /nfs/dbraw/zinc/39/82/84/557398284.db2.gz KSSFFKGUKNRSFL-PMACEKPBSA-N 0 0 441.398 5.017 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 ZINC000222886950 557398542 /nfs/dbraw/zinc/39/85/42/557398542.db2.gz CVOPEAXXMBQIBF-UXHICEINSA-N 0 0 441.398 5.017 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222891292 557399293 /nfs/dbraw/zinc/39/92/93/557399293.db2.gz NJWUBKDOZJDNNO-WOJBJXKFSA-N 0 0 429.998 5.862 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222894491 557399932 /nfs/dbraw/zinc/39/99/32/557399932.db2.gz WTEMCKFANLCLME-UXHICEINSA-N 0 0 432.376 6.031 40 0 IKABRN COc1ccc(CCN(Cc2ccncc2)Cc2c(Cl)cccc2Cl)cc1OC ZINC000013989508 557400146 /nfs/dbraw/zinc/40/01/46/557400146.db2.gz IFAOLLLEIGGAOB-UHFFFAOYSA-N 0 0 431.363 5.651 40 0 IKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222896402 557400195 /nfs/dbraw/zinc/40/01/95/557400195.db2.gz BZJZWBYIBMKZOS-IBGZPJMESA-N 0 0 426.576 5.214 40 0 IKABRN Cc1[nH]c2cc(C)ccc2c1C(=O)CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1 ZINC000013992038 557400487 /nfs/dbraw/zinc/40/04/87/557400487.db2.gz DKCMGBRRDJRSBJ-UHFFFAOYSA-N 0 0 430.489 5.465 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222903154 557400946 /nfs/dbraw/zinc/40/09/46/557400946.db2.gz PDFKGIVNQBOXLG-CQSZACIVSA-N 0 0 439.358 5.007 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222909399 557401551 /nfs/dbraw/zinc/40/15/51/557401551.db2.gz PDAHCZOIIYIBDK-NRFANRHFSA-N 0 0 435.395 5.116 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000222918449 557402279 /nfs/dbraw/zinc/40/22/79/557402279.db2.gz NAOBYUORTZZNMT-XMMPIXPASA-N 0 0 436.596 5.843 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222918189 557402333 /nfs/dbraw/zinc/40/23/33/557402333.db2.gz PGXOKZONSATEJQ-SFHVURJKSA-N 0 0 429.004 5.124 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000222919491 557402643 /nfs/dbraw/zinc/40/26/43/557402643.db2.gz PAHRJSSXQJZNPR-HSZRJFAPSA-N 0 0 434.536 5.303 40 0 IKABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000222920948 557402855 /nfs/dbraw/zinc/40/28/55/557402855.db2.gz RNVPNEYTJFLDIC-LJQANCHMSA-N 0 0 443.609 5.897 40 0 IKABRN Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2 ZINC000013999762 557403333 /nfs/dbraw/zinc/40/33/33/557403333.db2.gz MEHDSCGJRRZHFW-UHFFFAOYSA-N 0 0 436.939 5.121 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222927973 557404172 /nfs/dbraw/zinc/40/41/72/557404172.db2.gz FCLYSHYKFFZOAB-KRWDZBQOSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000222927638 557404202 /nfs/dbraw/zinc/40/42/02/557404202.db2.gz ILFPCMADFRXKPI-HZKFARACSA-N 0 0 445.647 7.248 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222930560 557404533 /nfs/dbraw/zinc/40/45/33/557404533.db2.gz IHIQGDJFWSBKLR-NHCUHLMSSA-N 0 0 444.526 5.520 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222930399 557404546 /nfs/dbraw/zinc/40/45/46/557404546.db2.gz IHIQGDJFWSBKLR-SFTDATJTSA-N 0 0 444.526 5.520 40 0 IKABRN Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)Nc1ccccc1 ZINC000222932834 557404744 /nfs/dbraw/zinc/40/47/44/557404744.db2.gz YKNJVOVAUSQYRM-LJQANCHMSA-N 0 0 448.588 5.166 40 0 IKABRN Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)ccc1Cl ZINC000222934467 557405000 /nfs/dbraw/zinc/40/50/00/557405000.db2.gz DAFIHYSMFLDSDV-VXKWHMMOSA-N 0 0 425.001 5.463 40 0 IKABRN COc1ccc2ccccc2c1C=C1SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000409350210 557405060 /nfs/dbraw/zinc/40/50/60/557405060.db2.gz RDRPAMBIINBDDD-CIAFOILYSA-N 0 0 437.904 5.421 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222935683 557405219 /nfs/dbraw/zinc/40/52/19/557405219.db2.gz WRHDOLWHQXLCSZ-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914693 557405238 /nfs/dbraw/zinc/40/52/38/557405238.db2.gz PECVQXJSAFWCOS-JMEKJAJLSA-N 0 0 446.716 6.822 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222935718 557405270 /nfs/dbraw/zinc/40/52/70/557405270.db2.gz UICNGIDICRHLOQ-RTWAWAEBSA-N 0 0 444.025 6.108 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@](O)(CCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915002 557405438 /nfs/dbraw/zinc/40/54/38/557405438.db2.gz OSYGNEOCCSKLON-GMZOJPPVSA-N 0 0 438.652 6.325 40 0 IKABRN CC(=O)O[C@@H](C)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(C)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118914982 557405519 /nfs/dbraw/zinc/40/55/19/557405519.db2.gz WPHICUIXBCASRI-PFJNVHAYSA-N 0 0 434.617 5.034 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222938346 557405550 /nfs/dbraw/zinc/40/55/50/557405550.db2.gz FCCTUFMXUMGRBQ-RTWAWAEBSA-N 0 0 446.403 6.277 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222938552 557405818 /nfs/dbraw/zinc/40/58/18/557405818.db2.gz AOSTYOXDYRIJJG-SFTDATJTSA-N 0 0 446.403 6.277 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000222939133 557405839 /nfs/dbraw/zinc/40/58/39/557405839.db2.gz FHEPSVQYNCAWIN-VXKWHMMOSA-N 0 0 425.569 5.569 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000222940856 557405950 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ZINC000223067972 557425358 /nfs/dbraw/zinc/42/53/58/557425358.db2.gz NYWLMARYYIOZPS-OALUTQOASA-N 0 0 447.044 5.295 40 0 IKABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223069878 557425576 /nfs/dbraw/zinc/42/55/76/557425576.db2.gz XTNFFOWXXLWISX-SFTDATJTSA-N 0 0 427.957 5.004 40 0 IKABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223069995 557425759 /nfs/dbraw/zinc/42/57/59/557425759.db2.gz XTNFFOWXXLWISX-LEWJYISDSA-N 0 0 427.957 5.004 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223072782 557426088 /nfs/dbraw/zinc/42/60/88/557426088.db2.gz MDCDMFNNWRBNMQ-PMACEKPBSA-N 0 0 443.031 5.728 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223072670 557426145 /nfs/dbraw/zinc/42/61/45/557426145.db2.gz MDCDMFNNWRBNMQ-VQTJNVASSA-N 0 0 443.031 5.728 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 ZINC000223072428 557426150 /nfs/dbraw/zinc/42/61/50/557426150.db2.gz WOPDGMJGVCCCNI-RBUKOAKNSA-N 0 0 429.004 5.167 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)cc1 ZINC000014154857 557426439 /nfs/dbraw/zinc/42/64/39/557426439.db2.gz PHXJZKCTDNHHAG-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)c(C)c1 ZINC000014154837 557426521 /nfs/dbraw/zinc/42/65/21/557426521.db2.gz VSUIPFGOMPNLHW-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)c1 ZINC000014154617 557426556 /nfs/dbraw/zinc/42/65/56/557426556.db2.gz QBYFWZVDEPDQFM-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000223074838 557426673 /nfs/dbraw/zinc/42/66/73/557426673.db2.gz RVJKDHOHQIZRQY-IRXDYDNUSA-N 0 0 435.395 5.258 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1C ZINC000014154964 557426824 /nfs/dbraw/zinc/42/68/24/557426824.db2.gz FXONNPQMDGMWCT-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000014155564 557427076 /nfs/dbraw/zinc/42/70/76/557427076.db2.gz QTNFQIUPRYYFSM-UHFFFAOYSA-N 0 0 436.577 5.536 40 0 IKABRN Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2Cl)c1 ZINC000014155773 557427329 /nfs/dbraw/zinc/42/73/29/557427329.db2.gz IHGUDWYHAUPYIG-UHFFFAOYSA-N 0 0 432.904 5.149 40 0 IKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000223079187 557427534 /nfs/dbraw/zinc/42/75/34/557427534.db2.gz VLFVDMPRJGFHHU-AREMUKBSSA-N 0 0 442.559 5.292 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223081258 557427901 /nfs/dbraw/zinc/42/79/01/557427901.db2.gz DNOZGPFUVKQUIZ-UHFFFAOYSA-N 0 0 430.523 5.796 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223081162 557427996 /nfs/dbraw/zinc/42/79/96/557427996.db2.gz HQDMMWFLOGILMY-OAQYLSRUSA-N 0 0 438.612 5.005 40 0 IKABRN Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 ZINC000014269162 557428236 /nfs/dbraw/zinc/42/82/36/557428236.db2.gz RRIVYIRPVUADFW-UHFFFAOYSA-N 0 0 443.572 5.731 40 0 IKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCCc1ccc(Cl)cc1 ZINC000223082657 557428246 /nfs/dbraw/zinc/42/82/46/557428246.db2.gz AYLWOAOWPAFHDR-JWGURIENSA-N 0 0 438.980 5.230 40 0 IKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4c(Cl)cccc4Cl)ccc32)c1 ZINC000223083619 557428378 /nfs/dbraw/zinc/42/83/78/557428378.db2.gz PPZLBLUJYOGRGV-UHFFFAOYSA-N 0 0 439.342 6.147 40 0 IKABRN CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccc(F)cc4)cc3)nc2c1 ZINC000014269349 557428506 /nfs/dbraw/zinc/42/85/06/557428506.db2.gz PCUFZNYGHIMVSD-UHFFFAOYSA-N 0 0 447.535 5.562 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000014269542 557428690 /nfs/dbraw/zinc/42/86/90/557428690.db2.gz ACAIKIKNOWETSW-TWSLPJAOSA-N 0 0 441.424 5.211 40 0 IKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(C(F)(F)F)cc4)ccc32)c1 ZINC000223084017 557428730 /nfs/dbraw/zinc/42/87/30/557428730.db2.gz AXKNVBZHBBLAPO-UHFFFAOYSA-N 0 0 438.449 5.859 40 0 IKABRN O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000014269480 557428737 /nfs/dbraw/zinc/42/87/37/557428737.db2.gz YLBNQENOVZTFAX-UHFFFAOYSA-N 0 0 441.350 5.155 40 0 IKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000223085842 557428833 /nfs/dbraw/zinc/42/88/33/557428833.db2.gz HUZPIWQIPQHRJL-XMMPIXPASA-N 0 0 426.988 5.033 40 0 IKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4c(C)cccc4C(C)C)ccc32)c1 ZINC000223085531 557428843 /nfs/dbraw/zinc/42/88/43/557428843.db2.gz SFHVBGMQUGLFPN-UHFFFAOYSA-N 0 0 426.560 6.272 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccncc1 ZINC000223085644 557428885 /nfs/dbraw/zinc/42/88/85/557428885.db2.gz RDONNVHAQOBAAP-RPBOFIJWSA-N 0 0 445.636 5.248 40 0 IKABRN Cc1cc(C)nc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000014269778 557428901 /nfs/dbraw/zinc/42/89/01/557428901.db2.gz FHZIBIWZNSBRIB-VMPITWQZSA-N 0 0 447.347 5.187 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccncc1 ZINC000223085592 557428900 /nfs/dbraw/zinc/42/89/00/557428900.db2.gz RDONNVHAQOBAAP-JWQCQUIFSA-N 0 0 445.636 5.248 40 0 IKABRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000014269803 557428928 /nfs/dbraw/zinc/42/89/28/557428928.db2.gz RBNVUPHGWNANPS-DHZHZOJOSA-N 0 0 447.343 5.788 40 0 IKABRN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000014269956 557429197 /nfs/dbraw/zinc/42/91/97/557429197.db2.gz SWKDBENTFOQHOV-UHFFFAOYSA-N 0 0 449.359 6.209 40 0 IKABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccccc4)cc3O)oc2c(C)c1 ZINC000014270182 557429351 /nfs/dbraw/zinc/42/93/51/557429351.db2.gz UXBUCNZZJSUQNJ-DHZHZOJOSA-N 0 0 443.528 5.344 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223087932 557429365 /nfs/dbraw/zinc/42/93/65/557429365.db2.gz ZUTFSLRAZTVSPN-UXHICEINSA-N 0 0 444.616 5.008 40 0 IKABRN CCc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000014270077 557429406 /nfs/dbraw/zinc/42/94/06/557429406.db2.gz AWYGMRJMKBHBKQ-CSKARUKUSA-N 0 0 445.371 6.342 40 0 IKABRN COc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223087533 557429440 /nfs/dbraw/zinc/42/94/40/557429440.db2.gz POWRTJSVPMAUEV-HXUWFJFHSA-N 0 0 438.612 5.083 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3O)oc2c1 ZINC000014270266 557429635 /nfs/dbraw/zinc/42/96/35/557429635.db2.gz HZMJXVXZGWLAGJ-UHFFFAOYSA-N 0 0 443.484 5.382 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCCC1 ZINC000223088702 557429651 /nfs/dbraw/zinc/42/96/51/557429651.db2.gz IZGRXIVCFNYWJT-DHIUTWEWSA-N 0 0 437.012 5.831 40 0 IKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000014270520 557429860 /nfs/dbraw/zinc/42/98/60/557429860.db2.gz WOBRRAZHMSSGKY-UHFFFAOYSA-N 0 0 444.560 5.392 40 0 IKABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(Cl)cc1 ZINC000014270537 557429873 /nfs/dbraw/zinc/42/98/73/557429873.db2.gz NDIUEBLAMFGXLC-UHFFFAOYSA-N 0 0 441.343 5.664 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)nc2cc1Cl ZINC000014270762 557430048 /nfs/dbraw/zinc/43/00/48/557430048.db2.gz JXHHWJJXRYXZEY-UHFFFAOYSA-N 0 0 446.384 6.192 40 0 IKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)nc21 ZINC000014270815 557430143 /nfs/dbraw/zinc/43/01/43/557430143.db2.gz QMRRPLCKXKCAFL-UHFFFAOYSA-N 0 0 447.585 5.619 40 0 IKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014270993 557430252 /nfs/dbraw/zinc/43/02/52/557430252.db2.gz LZDYIBMTUSEUDX-ZDUSSCGKSA-N 0 0 447.387 6.894 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCCC1 ZINC000223093332 557430368 /nfs/dbraw/zinc/43/03/68/557430368.db2.gz VVZRPFUQSRYLKY-LOSJGSFVSA-N 0 0 436.669 6.310 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCCC1 ZINC000223093391 557430395 /nfs/dbraw/zinc/43/03/95/557430395.db2.gz VVZRPFUQSRYLKY-DQEYMECFSA-N 0 0 436.669 6.310 40 0 IKABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000014271264 557430523 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40 0 IKABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000014271861 557431009 /nfs/dbraw/zinc/43/10/09/557431009.db2.gz JYEWKJORDLODEE-UHFFFAOYSA-N 0 0 446.016 5.492 40 0 IKABRN Cc1ccccc1OCC(=O)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000014272037 557431245 /nfs/dbraw/zinc/43/12/45/557431245.db2.gz VWNBIJVPIQLWBS-UHFFFAOYSA-N 0 0 443.355 6.596 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1Cl ZINC000014271971 557431289 /nfs/dbraw/zinc/43/12/89/557431289.db2.gz ADCWGIKTLHYDEZ-UHFFFAOYSA-N 0 0 448.693 6.111 40 0 IKABRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000014272114 557431472 /nfs/dbraw/zinc/43/14/72/557431472.db2.gz HPRUYGXTJJLSIM-UHFFFAOYSA-N 0 0 447.321 7.516 40 0 IKABRN CCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 ZINC000014272129 557431540 /nfs/dbraw/zinc/43/15/40/557431540.db2.gz KAICLCUUPWFMHM-UHFFFAOYSA-N 0 0 441.314 6.843 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223101927 557431595 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COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccc(C)c(C)c1 ZINC000014272338 557431735 /nfs/dbraw/zinc/43/17/35/557431735.db2.gz PUFDCTKETAJYJK-UHFFFAOYSA-N 0 0 444.531 6.261 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000223104559 557431743 /nfs/dbraw/zinc/43/17/43/557431743.db2.gz XNOPRCVVTSFJAZ-LLVKDONJSA-N 0 0 431.717 5.095 40 0 IKABRN Cc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1Cl ZINC000223104785 557431848 /nfs/dbraw/zinc/43/18/48/557431848.db2.gz NLVCUCKWQGFZTC-NSHDSACASA-N 0 0 431.717 5.095 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 ZINC000014272538 557431932 /nfs/dbraw/zinc/43/19/32/557431932.db2.gz RCCFBAUEQMCUIE-UHFFFAOYSA-N 0 0 441.314 6.679 40 0 IKABRN CCOc1cc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc(OCC)c1OCC ZINC000014272492 557431934 /nfs/dbraw/zinc/43/19/34/557431934.db2.gz QRQAWLQBTCXYGB-UHFFFAOYSA-N 0 0 442.537 5.267 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1C ZINC000014272692 557432132 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IKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000014273081 557432554 /nfs/dbraw/zinc/43/25/54/557432554.db2.gz HJUOFEDHXRKGPW-UHFFFAOYSA-N 0 0 448.906 6.135 40 0 IKABRN CCCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3c(Br)c2OC)c1 ZINC000014273092 557432623 /nfs/dbraw/zinc/43/26/23/557432623.db2.gz BDTHLWXNIHMPQU-UHFFFAOYSA-N 0 0 441.325 5.602 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000223108060 557432576 /nfs/dbraw/zinc/43/25/76/557432576.db2.gz OSRHRDGJYUGKBE-ZDUSSCGKSA-N 0 0 439.353 5.258 40 0 IKABRN CCCCc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 ZINC000223107821 557432603 /nfs/dbraw/zinc/43/26/03/557432603.db2.gz FEQHSNCWNNSSDH-CQSZACIVSA-N 0 0 439.353 5.476 40 0 IKABRN COc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)c1ccccc1Cl ZINC000014273023 557432638 /nfs/dbraw/zinc/43/26/38/557432638.db2.gz PWOFQDNTCABJJU-UHFFFAOYSA-N 0 0 449.721 6.160 40 0 IKABRN CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223109842 557432733 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CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223115010 557433698 /nfs/dbraw/zinc/43/36/98/557433698.db2.gz YZGGWNPABONPDG-DQEYMECFSA-N 0 0 447.604 6.046 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Br)cc2F)cc(Br)c1OC ZINC000015008031 557434803 /nfs/dbraw/zinc/43/48/03/557434803.db2.gz FWPFFTPZXOFAEB-UHFFFAOYSA-N 0 0 447.098 5.010 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 ZINC000223123174 557434820 /nfs/dbraw/zinc/43/48/20/557434820.db2.gz WLTJSJCHMODSSB-VWLOTQADSA-N 0 0 448.994 5.315 40 0 IKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000223124564 557435032 /nfs/dbraw/zinc/43/50/32/557435032.db2.gz QNLAQRZQXRTUGY-RUZDIDTESA-N 0 0 448.994 5.049 40 0 IKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000014396879 557435234 /nfs/dbraw/zinc/43/52/34/557435234.db2.gz XDXXBFLKVDAALH-OAHLLOKOSA-N 0 0 440.436 6.108 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccccc2Cl)c1 ZINC000223125286 557435289 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440.436 6.108 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223134344 557436919 /nfs/dbraw/zinc/43/69/19/557436919.db2.gz OIXOKQXDIFXCMA-HXUWFJFHSA-N 0 0 433.017 5.154 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(I)cc2C)cc(C)c1Cl ZINC000014399739 557436989 /nfs/dbraw/zinc/43/69/89/557436989.db2.gz DZJDTRSEQVVEOJ-ZDUSSCGKSA-N 0 0 443.712 5.276 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000223135114 557437176 /nfs/dbraw/zinc/43/71/76/557437176.db2.gz GMALWTLYVIZDSF-OAQYLSRUSA-N 0 0 447.044 5.295 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223140613 557437995 /nfs/dbraw/zinc/43/79/95/557437995.db2.gz RKJIWAWDFHULCV-CABCVRRESA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223140255 557438031 /nfs/dbraw/zinc/43/80/31/557438031.db2.gz IAFRZXHNRFCOKX-HUUCEWRRSA-N 0 0 439.358 5.007 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 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CC(C)CSc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1 ZINC000223182261 557442678 /nfs/dbraw/zinc/44/26/78/557442678.db2.gz XYFYGVHPYBINCA-UHFFFAOYSA-N 0 0 433.986 5.771 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 ZINC000223181971 557442689 /nfs/dbraw/zinc/44/26/89/557442689.db2.gz UAIPWFJIWRLQIE-QHCPKHFHSA-N 0 0 440.653 5.508 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000223183250 557442719 /nfs/dbraw/zinc/44/27/19/557442719.db2.gz NOFOIEWBRZDMBM-GOSISDBHSA-N 0 0 435.568 5.550 40 0 IKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000014404846 557443095 /nfs/dbraw/zinc/44/30/95/557443095.db2.gz XFZQRJFHSAMNAT-QGOAFFKASA-N 0 0 436.515 5.393 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)cc2C)cc1 ZINC000223193229 557444123 /nfs/dbraw/zinc/44/41/23/557444123.db2.gz HAKULSGJBJYXIL-LJQANCHMSA-N 0 0 448.588 5.084 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223193415 557444240 /nfs/dbraw/zinc/44/42/40/557444240.db2.gz WYKRVLQUUUENCI-SFHVURJKSA-N 0 0 433.017 5.074 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000014413226 557445118 /nfs/dbraw/zinc/44/51/18/557445118.db2.gz BKYKWJSFSPETBM-VWLOTQADSA-N 0 0 434.561 5.649 40 0 IKABRN CCCCc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000026116583 557445687 /nfs/dbraw/zinc/44/56/87/557445687.db2.gz CJYTWTFUWANDLZ-UHFFFAOYSA-N 0 0 446.638 5.178 40 0 IKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014400378 557445886 /nfs/dbraw/zinc/44/58/86/557445886.db2.gz MOTKHONIWVOOSC-QGZVFWFLSA-N 0 0 434.502 5.119 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000014400816 557446160 /nfs/dbraw/zinc/44/61/60/557446160.db2.gz YZKZMOBLSMQMMU-IBGZPJMESA-N 0 0 440.008 6.964 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000014400780 557446220 /nfs/dbraw/zinc/44/62/20/557446220.db2.gz ZQAXIFMOJVIWLH-GOSISDBHSA-N 0 0 436.939 5.629 40 0 IKABRN CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000223211657 557446461 /nfs/dbraw/zinc/44/64/61/557446461.db2.gz BLFBCAOQAUQZOO-IBGZPJMESA-N 0 0 436.577 5.158 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F ZINC000223220437 557447411 /nfs/dbraw/zinc/44/74/11/557447411.db2.gz XNTXNMRDPNYADI-QFIPXVFZSA-N 0 0 444.616 5.089 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc21 ZINC000223220203 557447473 /nfs/dbraw/zinc/44/74/73/557447473.db2.gz FHDRKHVFDNGUSM-AREMUKBSSA-N 0 0 444.619 5.803 40 0 IKABRN Cc1nn2c(c1-c1ccc(Br)cc1)N=C(c1ccco1)C[C@H]2c1ccccn1 ZINC000014607641 557447785 /nfs/dbraw/zinc/44/77/85/557447785.db2.gz UEFXNWNNHCSXIY-IBGZPJMESA-N 0 0 433.309 5.723 40 0 IKABRN COc1ccccc1C1=Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@H](c2cccnc2)C1 ZINC000014607629 557447798 /nfs/dbraw/zinc/44/77/98/557447798.db2.gz WHOVEMUIHBOSJL-QFIPXVFZSA-N 0 0 428.923 6.029 40 0 IKABRN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)NC2CCCCC2)cc1OC ZINC000014608049 557448180 /nfs/dbraw/zinc/44/81/80/557448180.db2.gz LWHBPEJRIUSWCR-QHCPKHFHSA-N 0 0 434.540 5.256 40 0 IKABRN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)NC2CCCCC2)cc1OC ZINC000014608050 557448272 /nfs/dbraw/zinc/44/82/72/557448272.db2.gz LWHBPEJRIUSWCR-HSZRJFAPSA-N 0 0 434.540 5.256 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223227189 557448470 /nfs/dbraw/zinc/44/84/70/557448470.db2.gz BHYATXBLZDYPIE-HSZRJFAPSA-N 0 0 440.653 5.508 40 0 IKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000014649217 557448999 /nfs/dbraw/zinc/44/89/99/557448999.db2.gz HPGWFUXGBSTTEP-UHFFFAOYSA-N 0 0 440.337 6.673 40 0 IKABRN C[C@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3cccc(C(F)(F)F)c3)c3cccc1c32 ZINC000014671878 557449005 /nfs/dbraw/zinc/44/90/05/557449005.db2.gz KZMXARTWDDEFJL-XMHCIUCPSA-N 0 0 446.494 5.271 40 0 IKABRN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1cc(C)cc(C)c1 ZINC000014671886 557449175 /nfs/dbraw/zinc/44/91/75/557449175.db2.gz VKVQOWBDFKULEO-SANMLTNESA-N 0 0 448.588 5.177 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C ZINC000223236053 557449431 /nfs/dbraw/zinc/44/94/31/557449431.db2.gz CHMIOLGFEVAYLE-LJQANCHMSA-N 0 0 445.003 5.176 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223235110 557449509 /nfs/dbraw/zinc/44/95/09/557449509.db2.gz PGZIUTDMBBSQMN-LJQANCHMSA-N 0 0 447.044 5.215 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223237437 557449669 /nfs/dbraw/zinc/44/96/69/557449669.db2.gz UBMBZYUBLBWXGU-HNNXBMFYSA-N 0 0 439.358 5.009 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223237381 557449704 /nfs/dbraw/zinc/44/97/04/557449704.db2.gz UBMBZYUBLBWXGU-OAHLLOKOSA-N 0 0 439.358 5.009 40 0 IKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223253863 557451303 /nfs/dbraw/zinc/45/13/03/557451303.db2.gz MIDGVGNXEAWZHG-MHZLTWQESA-N 0 0 442.603 5.012 40 0 IKABRN CCc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000223253356 557451385 /nfs/dbraw/zinc/45/13/85/557451385.db2.gz IFXWRCMCUSGGJF-XHCCPWGMSA-N 0 0 444.600 5.514 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223258041 557451730 /nfs/dbraw/zinc/45/17/30/557451730.db2.gz ZJIXNXRSMWFIMZ-QFIPXVFZSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223264039 557452514 /nfs/dbraw/zinc/45/25/14/557452514.db2.gz MXQVJCGOXXCURC-YIXXDRMTSA-N 0 0 442.603 5.174 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 ZINC000223266621 557453099 /nfs/dbraw/zinc/45/30/99/557453099.db2.gz XAELAQGQLQBPPT-HSZRJFAPSA-N 0 0 440.653 5.259 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223267177 557453134 /nfs/dbraw/zinc/45/31/34/557453134.db2.gz KYWKQZLSNPAAKA-HXUWFJFHSA-N 0 0 440.603 5.389 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223268839 557453691 /nfs/dbraw/zinc/45/36/91/557453691.db2.gz ZBHLDPBAJVOUSD-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000223269638 557453837 /nfs/dbraw/zinc/45/38/37/557453837.db2.gz XGDLRJMZXOVKLL-ULJHMMPZSA-N 0 0 446.503 5.019 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl ZINC000223277764 557455010 /nfs/dbraw/zinc/45/50/10/557455010.db2.gz NAFSVUXJAPKVGC-LJQANCHMSA-N 0 0 441.786 5.133 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccccc1 ZINC000223286323 557456080 /nfs/dbraw/zinc/45/60/80/557456080.db2.gz UEUUCXYEVOBXEC-IBGZPJMESA-N 0 0 439.408 5.029 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCCC1 ZINC000223305939 557457175 /nfs/dbraw/zinc/45/71/75/557457175.db2.gz COWJWFKIRMTNBW-NKKJXINNSA-N 0 0 438.641 5.157 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000223304762 557457194 /nfs/dbraw/zinc/45/71/94/557457194.db2.gz MVFTVGGNGSHEKA-RJDQKLELSA-N 0 0 430.548 5.534 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 ZINC000223303206 557457203 /nfs/dbraw/zinc/45/72/03/557457203.db2.gz BZUPVWOZLNFIJS-QHCPKHFHSA-N 0 0 440.653 5.340 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223302943 557457238 /nfs/dbraw/zinc/45/72/38/557457238.db2.gz DEBSYTVFBDVCKN-DEOSSOPVSA-N 0 0 438.612 5.219 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223313329 557458035 /nfs/dbraw/zinc/45/80/35/557458035.db2.gz WSQHBFLJPYDJCL-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 ZINC000223315600 557458215 /nfs/dbraw/zinc/45/82/15/557458215.db2.gz SACAOULGSAVZSI-OAQYLSRUSA-N 0 0 447.044 5.463 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000223314425 557458224 /nfs/dbraw/zinc/45/82/24/557458224.db2.gz YIEBMLHQBRORMD-HOFKKMOUSA-N 0 0 442.603 5.092 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223313771 557458227 /nfs/dbraw/zinc/45/82/27/557458227.db2.gz JWTFYRLMTRTBMZ-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000223314171 557458229 /nfs/dbraw/zinc/45/82/29/557458229.db2.gz WLXHMTARLDNJQJ-HOFKKMOUSA-N 0 0 442.603 5.092 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 ZINC000223315453 557458231 /nfs/dbraw/zinc/45/82/31/557458231.db2.gz NMBQTJLGIFJFDO-HXUWFJFHSA-N 0 0 433.017 5.154 40 0 IKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C(C)C)c(OC)cc3C)ccc21 ZINC000223317655 557458748 /nfs/dbraw/zinc/45/87/48/557458748.db2.gz TYGSYJODHLBXRN-UHFFFAOYSA-N 0 0 436.577 6.056 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223321453 557458965 /nfs/dbraw/zinc/45/89/65/557458965.db2.gz ISENZCOTEAPPEG-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1C(C)C ZINC000223325934 557459186 /nfs/dbraw/zinc/45/91/86/557459186.db2.gz FMJRZIANKIOQEL-CQSZACIVSA-N 0 0 430.397 5.614 40 0 IKABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1C(C)C ZINC000223323220 557459208 /nfs/dbraw/zinc/45/92/08/557459208.db2.gz CCAGYPBHPLWGPU-CQSZACIVSA-N 0 0 430.397 5.614 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C ZINC000223329549 557459727 /nfs/dbraw/zinc/45/97/27/557459727.db2.gz VXYANJFWSDOFAX-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 ZINC000223330233 557459802 /nfs/dbraw/zinc/45/98/02/557459802.db2.gz WIHNGECJHSYRBP-KRFWEUHSSA-N 0 0 446.547 5.271 40 0 IKABRN Cn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000015277295 557460125 /nfs/dbraw/zinc/46/01/25/557460125.db2.gz SWUUDFZSGURBPG-UHFFFAOYSA-N 0 0 427.744 5.173 40 0 IKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000015270065 557460195 /nfs/dbraw/zinc/46/01/95/557460195.db2.gz SMGAKOQRPKSWRZ-UHFFFAOYSA-N 0 0 448.950 5.410 40 0 IKABRN CCSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 ZINC000223351265 557461384 /nfs/dbraw/zinc/46/13/84/557461384.db2.gz AVEBKRCHTPJDKP-HKWRFOASSA-N 0 0 438.574 5.278 40 0 IKABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223355240 557461798 /nfs/dbraw/zinc/46/17/98/557461798.db2.gz CWVYFMHORANMRW-MHZLTWQESA-N 0 0 428.576 5.306 40 0 IKABRN Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)ccc1Cl ZINC000223359432 557462357 /nfs/dbraw/zinc/46/23/57/557462357.db2.gz RSTUTVRWUDZHMZ-PKTZIBPZSA-N 0 0 448.979 5.600 40 0 IKABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223358899 557462360 /nfs/dbraw/zinc/46/23/60/557462360.db2.gz ACCTWFOVINLVTF-MUUNZHRXSA-N 0 0 442.603 5.696 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 ZINC000223361064 557462471 /nfs/dbraw/zinc/46/24/71/557462471.db2.gz BOPFOHRSDWPLEC-FQEVSTJZSA-N 0 0 433.017 5.154 40 0 IKABRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223362125 557462809 /nfs/dbraw/zinc/46/28/09/557462809.db2.gz GFGRSTYBYLYNAS-RPWUZVMVSA-N 0 0 445.544 5.506 40 0 IKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223365753 557463230 /nfs/dbraw/zinc/46/32/30/557463230.db2.gz RBZDAXCSBRUUJK-VWLOTQADSA-N 0 0 448.994 5.049 40 0 IKABRN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000015787652 557463674 /nfs/dbraw/zinc/46/36/74/557463674.db2.gz NKRKXKFXNFSZJH-UHFFFAOYSA-N 0 0 432.392 5.012 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000223372594 557463710 /nfs/dbraw/zinc/46/37/10/557463710.db2.gz DYRIBMRVSQKERX-YIXXDRMTSA-N 0 0 442.603 5.092 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1Cc1ccccc1 ZINC000223370521 557463745 /nfs/dbraw/zinc/46/37/45/557463745.db2.gz QEQOUURWBSKWNI-MSOLQXFVSA-N 0 0 430.396 5.078 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1Cc1ccccc1 ZINC000223370574 557463785 /nfs/dbraw/zinc/46/37/85/557463785.db2.gz KQKADZZBKIELCK-ZWKOTPCHSA-N 0 0 430.396 5.078 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1Cc1ccccc1 ZINC000223370472 557463794 /nfs/dbraw/zinc/46/37/94/557463794.db2.gz QEQOUURWBSKWNI-ROUUACIJSA-N 0 0 430.396 5.078 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1ccccc1 ZINC000223370434 557463805 /nfs/dbraw/zinc/46/38/05/557463805.db2.gz QEQOUURWBSKWNI-QZTJIDSGSA-N 0 0 430.396 5.078 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1nccs1 ZINC000223373368 557463910 /nfs/dbraw/zinc/46/39/10/557463910.db2.gz VLHDJCHLDVAPIK-YADHBBJMSA-N 0 0 445.617 5.118 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000223373609 557464040 /nfs/dbraw/zinc/46/40/40/557464040.db2.gz XPXWMGZSMMBVMA-LEWJYISDSA-N 0 0 444.575 6.015 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccnc1 ZINC000223374648 557464303 /nfs/dbraw/zinc/46/43/03/557464303.db2.gz CBQJTVITEXIMMD-RPBOFIJWSA-N 0 0 439.588 5.057 40 0 IKABRN 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O=C(COc1cccc2ccccc21)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000017100113 557483983 /nfs/dbraw/zinc/48/39/83/557483983.db2.gz NKRLGOIWOYMYPD-UHFFFAOYSA-N 0 0 436.467 5.856 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000017094250 557484163 /nfs/dbraw/zinc/48/41/63/557484163.db2.gz YMLMWAXZQQYTEP-UHFFFAOYSA-N 0 0 425.109 6.170 40 0 IKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)cc1C ZINC000017094255 557484203 /nfs/dbraw/zinc/48/42/03/557484203.db2.gz NFUPGSRMBAKBIQ-FPYGCLRLSA-N 0 0 425.120 5.181 40 0 IKABRN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc([C@@H](C)CC)cc3)cc2s1 ZINC000017094536 557484374 /nfs/dbraw/zinc/48/43/74/557484374.db2.gz CTJDBIMBQDRPQD-HNNXBMFYSA-N 0 0 425.554 5.566 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000017094322 557484388 /nfs/dbraw/zinc/48/43/88/557484388.db2.gz YSWPPEGYKGROBQ-KPKJPENVSA-N 0 0 425.340 6.922 40 0 IKABRN O=C(/C=C/c1ccccc1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000017094319 557484392 /nfs/dbraw/zinc/48/43/92/557484392.db2.gz JOYKESHYROJZEF-ZHACJKMWSA-N 0 0 425.340 6.922 40 0 IKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000017094568 557484599 /nfs/dbraw/zinc/48/45/99/557484599.db2.gz MARSEBUPJCYZEL-UHFFFAOYSA-N 0 0 425.598 5.085 40 0 IKABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000017094611 557484648 /nfs/dbraw/zinc/48/46/48/557484648.db2.gz IHAPSAAKYHEDKN-UHFFFAOYSA-N 0 0 425.779 5.527 40 0 IKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 ZINC000017094575 557484664 /nfs/dbraw/zinc/48/46/64/557484664.db2.gz NQHQQDOLOQTWNJ-SFHVURJKSA-N 0 0 425.598 5.227 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1C ZINC000223549805 557484743 /nfs/dbraw/zinc/48/47/43/557484743.db2.gz ARHYMFFZYJUQBK-RPBOFIJWSA-N 0 0 439.588 5.057 40 0 IKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)nc21 ZINC000017094687 557484796 /nfs/dbraw/zinc/48/47/96/557484796.db2.gz HXDCLQQEDZGGKR-UHFFFAOYSA-N 0 0 425.966 5.847 40 0 IKABRN Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1Br ZINC000017094699 557484838 /nfs/dbraw/zinc/48/48/38/557484838.db2.gz NSPFRZAOCRKLMG-UHFFFAOYSA-N 0 0 426.097 5.972 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccn1 ZINC000223551091 557485031 /nfs/dbraw/zinc/48/50/31/557485031.db2.gz OLKPFSAZFWIUEG-DHIUTWEWSA-N 0 0 444.585 5.394 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C ZINC000017094730 557485080 /nfs/dbraw/zinc/48/50/80/557485080.db2.gz UWTPPQFXADHAKL-UHFFFAOYSA-N 0 0 426.303 6.106 40 0 IKABRN Cc1cc2sc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)nc2c(C)c1 ZINC000017094886 557485308 /nfs/dbraw/zinc/48/53/08/557485308.db2.gz UTCPPPVBIOCMHW-UHFFFAOYSA-N 0 0 426.497 5.939 40 0 IKABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223555316 557485475 /nfs/dbraw/zinc/48/54/75/557485475.db2.gz ASQXZUMJPCROJF-QFIPXVFZSA-N 0 0 444.641 5.140 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc(OCC)c1OCC ZINC000017095032 557485511 /nfs/dbraw/zinc/48/55/11/557485511.db2.gz KRUOYSNVYPZEIR-GOSISDBHSA-N 0 0 426.557 5.514 40 0 IKABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000223557435 557485647 /nfs/dbraw/zinc/48/56/47/557485647.db2.gz MGRCSAOALFCUOT-QFIPXVFZSA-N 0 0 430.592 5.149 40 0 IKABRN CCc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 ZINC000017095175 557485651 /nfs/dbraw/zinc/48/56/51/557485651.db2.gz HGUHTQVQDSSUPY-UHFFFAOYSA-N 0 0 426.903 7.116 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(Cl)c1Cl ZINC000017095237 557485720 /nfs/dbraw/zinc/48/57/20/557485720.db2.gz MCRULDQCOVDJBS-FNORWQNLSA-N 0 0 427.114 7.212 40 0 IKABRN Cc1cc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1C ZINC000017095204 557485729 /nfs/dbraw/zinc/48/57/29/557485729.db2.gz ZPIKBDSXFSURNQ-CSKARUKUSA-N 0 0 426.925 5.449 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc(Cl)ccc1Cl ZINC000017095238 557485866 /nfs/dbraw/zinc/48/58/66/557485866.db2.gz QJLARLQGRQOTNK-ZZXKWVIFSA-N 0 0 427.114 7.212 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1 ZINC000017095278 557485871 /nfs/dbraw/zinc/48/58/71/557485871.db2.gz WSPNDKXFYMVCTI-UHFFFAOYSA-N 0 0 427.287 6.371 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000017095280 557485954 /nfs/dbraw/zinc/48/59/54/557485954.db2.gz TVKJJLXXYQAACH-UHFFFAOYSA-N 0 0 427.287 6.371 40 0 IKABRN Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 ZINC000017095271 557485969 /nfs/dbraw/zinc/48/59/69/557485969.db2.gz CVXIPTLVLVVFFX-UHFFFAOYSA-N 0 0 427.287 6.128 40 0 IKABRN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1Cl ZINC000017095282 557486171 /nfs/dbraw/zinc/48/61/71/557486171.db2.gz WOLJCONQSMVAJN-UHFFFAOYSA-N 0 0 427.291 5.053 40 0 IKABRN O=C(CSc1ccc(Cl)cc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017095610 557486346 /nfs/dbraw/zinc/48/63/46/557486346.db2.gz SCGASNORSHFANB-UHFFFAOYSA-N 0 0 427.736 6.742 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223563384 557486449 /nfs/dbraw/zinc/48/64/49/557486449.db2.gz FVVOXQPWSBTWCH-JOCHJYFZSA-N 0 0 447.044 5.297 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223563441 557486472 /nfs/dbraw/zinc/48/64/72/557486472.db2.gz FVVOXQPWSBTWCH-QFIPXVFZSA-N 0 0 447.044 5.297 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2N2CCCC2)c1Cl ZINC000017095619 557486531 /nfs/dbraw/zinc/48/65/31/557486531.db2.gz GRFRFMIUAJJOJV-UHFFFAOYSA-N 0 0 427.759 5.881 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)ccc1Cl ZINC000017095693 557486534 /nfs/dbraw/zinc/48/65/34/557486534.db2.gz UKBLREKAIZWFBP-UHFFFAOYSA-N 0 0 428.275 5.523 40 0 IKABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000017095614 557486565 /nfs/dbraw/zinc/48/65/65/557486565.db2.gz YZQSSSPVGLFQIO-UHFFFAOYSA-N 0 0 427.751 5.017 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000017095822 557486769 /nfs/dbraw/zinc/48/67/69/557486769.db2.gz ZYZSLOBFYMOLJN-KRWDZBQOSA-N 0 0 428.488 5.018 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2)cc1 ZINC000017095708 557486862 /nfs/dbraw/zinc/48/68/62/557486862.db2.gz GJFFTIFYAJYHSE-UHFFFAOYSA-N 0 0 428.315 6.017 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000017095821 557486881 /nfs/dbraw/zinc/48/68/81/557486881.db2.gz ZYZSLOBFYMOLJN-QGZVFWFLSA-N 0 0 428.488 5.018 40 0 IKABRN CC(C)CSc1nnc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)s1 ZINC000223564512 557486905 /nfs/dbraw/zinc/48/69/05/557486905.db2.gz QSGQIUNSLHJZMZ-UHFFFAOYSA-N 0 0 433.986 5.771 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 ZINC000017095838 557486974 /nfs/dbraw/zinc/48/69/74/557486974.db2.gz ONDQNCPGYURNRU-INIZCTEOSA-N 0 0 428.488 6.032 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1 ZINC000017095878 557486978 /nfs/dbraw/zinc/48/69/78/557486978.db2.gz WMICVGATPIIJPD-UHFFFAOYSA-N 0 0 428.513 5.204 40 0 IKABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccccc1 ZINC000223568569 557486975 /nfs/dbraw/zinc/48/69/75/557486975.db2.gz UOXNZXHOIVUGBW-PMACEKPBSA-N 0 0 442.559 5.462 40 0 IKABRN CCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1 ZINC000017095926 557487037 /nfs/dbraw/zinc/48/70/37/557487037.db2.gz IENYWXCJIAOMSM-SFHVURJKSA-N 0 0 428.532 7.049 40 0 IKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cccc(OCc2ccccc2)c1 ZINC000017095888 557487070 /nfs/dbraw/zinc/48/70/70/557487070.db2.gz XRYXSLQOKJFJPW-UHFFFAOYSA-N 0 0 428.513 5.251 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccccc1 ZINC000223568406 557487054 /nfs/dbraw/zinc/48/70/54/557487054.db2.gz UOXNZXHOIVUGBW-WOJBJXKFSA-N 0 0 442.559 5.462 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000017095835 557487091 /nfs/dbraw/zinc/48/70/91/557487091.db2.gz HBRRXYOCYMXRGF-UHFFFAOYSA-N 0 0 428.488 5.826 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 ZINC000017095942 557487337 /nfs/dbraw/zinc/48/73/37/557487337.db2.gz QNZAQWXWKPEAGI-SFHVURJKSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000017095968 557487359 /nfs/dbraw/zinc/48/73/59/557487359.db2.gz BPPHUBGMPNJDET-QGZVFWFLSA-N 0 0 428.532 6.643 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)c1 ZINC000017095945 557487372 /nfs/dbraw/zinc/48/73/72/557487372.db2.gz JIUGYAGMUXNARC-UHFFFAOYSA-N 0 0 428.532 6.427 40 0 IKABRN CCc1ccc(-c2nc3cc(NC(=O)COc4ccc([C@H](C)CC)cc4)ccc3o2)cc1 ZINC000017095962 557487390 /nfs/dbraw/zinc/48/73/90/557487390.db2.gz XWUWQLRTLNUDNP-GOSISDBHSA-N 0 0 428.532 6.588 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)nc2c1 ZINC000017095948 557487402 /nfs/dbraw/zinc/48/74/02/557487402.db2.gz NJVXNYZLZQEUSN-SFHVURJKSA-N 0 0 428.532 7.048 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)nc2c1 ZINC000017095947 557487424 /nfs/dbraw/zinc/48/74/24/557487424.db2.gz NJVXNYZLZQEUSN-GOSISDBHSA-N 0 0 428.532 7.048 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1 ZINC000017095986 557487737 /nfs/dbraw/zinc/48/77/37/557487737.db2.gz BLXQJVDQYSUXCG-UHFFFAOYSA-N 0 0 428.536 5.723 40 0 IKABRN CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 ZINC000017095983 557487740 /nfs/dbraw/zinc/48/77/40/557487740.db2.gz FRPVWHGSTCVWNR-UHFFFAOYSA-N 0 0 428.536 5.893 40 0 IKABRN O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cccnc1Cl ZINC000017096153 557487813 /nfs/dbraw/zinc/48/78/13/557487813.db2.gz NQELUQIYTNWCON-UHFFFAOYSA-N 0 0 428.673 5.558 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000017096116 557487946 /nfs/dbraw/zinc/48/79/46/557487946.db2.gz SYAONAWYYYWIOR-INIZCTEOSA-N 0 0 428.598 5.139 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000017096306 557488159 /nfs/dbraw/zinc/48/81/59/557488159.db2.gz FGEQWMTUCPZICP-UHFFFAOYSA-N 0 0 429.303 5.412 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000017096310 557488163 /nfs/dbraw/zinc/48/81/63/557488163.db2.gz WEZQVJYWRAYNPL-UHFFFAOYSA-N 0 0 429.303 5.412 40 0 IKABRN O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017096269 557488167 /nfs/dbraw/zinc/48/81/67/557488167.db2.gz DOQIICDDUDEVKA-UHFFFAOYSA-N 0 0 429.072 6.407 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223577390 557488183 /nfs/dbraw/zinc/48/81/83/557488183.db2.gz DHHBZSJHQZDLSL-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN O=C(NCCOc1cccc2ccccc21)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000223578867 557488200 /nfs/dbraw/zinc/48/82/00/557488200.db2.gz BPFCNRYESDOWIN-UHFFFAOYSA-N 0 0 440.946 5.040 40 0 IKABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1F ZINC000017096272 557488201 /nfs/dbraw/zinc/48/82/01/557488201.db2.gz GJYVQGRPTHWBGB-VOTSOKGWSA-N 0 0 429.083 5.011 40 0 IKABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc2ccccc2c1 ZINC000017096355 557488289 /nfs/dbraw/zinc/48/82/89/557488289.db2.gz HHCPNEJVTKNUMW-UHFFFAOYSA-N 0 0 429.339 5.046 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(Cl)c2Cl)cc1 ZINC000017096312 557488299 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Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(F)(F)F)cc3Cl)o2)cc1Cl ZINC000019631048 557506837 /nfs/dbraw/zinc/50/68/37/557506837.db2.gz VLDNBUPSDYCEBZ-RMKNXTFCSA-N 0 0 440.248 7.233 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccc3ccccc3c2)cc1 ZINC000019631723 557506963 /nfs/dbraw/zinc/50/69/63/557506963.db2.gz XORAVKHLLFVPRV-UHFFFAOYSA-N 0 0 440.499 5.024 40 0 IKABRN CC(=O)NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 ZINC000019631214 557507047 /nfs/dbraw/zinc/50/70/47/557507047.db2.gz GEQKZBSYMGQXQD-UHFFFAOYSA-N 0 0 440.322 5.243 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc21 ZINC000223735180 557507478 /nfs/dbraw/zinc/50/74/78/557507478.db2.gz IBQLNBNBABAWCY-VWLOTQADSA-N 0 0 446.591 5.251 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl ZINC000223741015 557507814 /nfs/dbraw/zinc/50/78/14/557507814.db2.gz OXJBSDXMNHWOHV-HSZRJFAPSA-N 0 0 429.004 5.305 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl ZINC000223741076 557507860 /nfs/dbraw/zinc/50/78/60/557507860.db2.gz OXJBSDXMNHWOHV-QHCPKHFHSA-N 0 0 429.004 5.305 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223746119 557508340 /nfs/dbraw/zinc/50/83/40/557508340.db2.gz YDMPGKFSGDXDMQ-QFIPXVFZSA-N 0 0 449.422 5.568 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223746251 557508454 /nfs/dbraw/zinc/50/84/54/557508454.db2.gz UVWLXMUTGCQWMI-QFIPXVFZSA-N 0 0 449.422 5.568 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 ZINC000223746905 557508647 /nfs/dbraw/zinc/50/86/47/557508647.db2.gz KWYVRBPCIXRANO-QZTJIDSGSA-N 0 0 446.395 5.091 40 0 IKABRN CN(c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1)S(=O)(=O)c1ccccc1 ZINC000223746818 557508649 /nfs/dbraw/zinc/50/86/49/557508649.db2.gz JLVZIPPQWIUSRN-UHFFFAOYSA-N 0 0 442.540 5.016 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000223752820 557509102 /nfs/dbraw/zinc/50/91/02/557509102.db2.gz UGVWLLOTIGUBEB-NRFANRHFSA-N 0 0 428.576 5.249 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000223753174 557509116 /nfs/dbraw/zinc/50/91/16/557509116.db2.gz OSSPWNLPRXAZHD-JWQCQUIFSA-N 0 0 440.572 5.366 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223768879 557510677 /nfs/dbraw/zinc/51/06/77/557510677.db2.gz XRAJEQVHBITZKQ-RPWUZVMVSA-N 0 0 432.593 5.574 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1 ZINC000019946186 557510920 /nfs/dbraw/zinc/51/09/20/557510920.db2.gz AOAXOHNHKABGHS-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 ZINC000223770156 557510987 /nfs/dbraw/zinc/51/09/87/557510987.db2.gz BVQPCCSHSZEDGS-RPWUZVMVSA-N 0 0 444.535 5.197 40 0 IKABRN Cc1cccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000019946626 557511123 /nfs/dbraw/zinc/51/11/23/557511123.db2.gz JVNNKZDBJCOBLV-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000019946832 557511131 /nfs/dbraw/zinc/51/11/31/557511131.db2.gz RXSRPKRTIBTTTO-UHFFFAOYSA-N 0 0 436.577 5.261 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223770732 557511201 /nfs/dbraw/zinc/51/12/01/557511201.db2.gz IKSAEEODPZJUOL-BJKOFHAPSA-N 0 0 444.535 5.197 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cc(C)cc(C)c2)cc1 ZINC000019947538 557511408 /nfs/dbraw/zinc/51/14/08/557511408.db2.gz HOUSLTXDCIRJPU-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000223774886 557511567 /nfs/dbraw/zinc/51/15/67/557511567.db2.gz RFNKLZXGZNTELG-ZEQRLZLVSA-N 0 0 445.519 5.666 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 ZINC000223778284 557512073 /nfs/dbraw/zinc/51/20/73/557512073.db2.gz CJSYFYQHKXRBIU-QHCPKHFHSA-N 0 0 445.003 5.223 40 0 IKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223780315 557512231 /nfs/dbraw/zinc/51/22/31/557512231.db2.gz ZOROMJNDKQMGLJ-IBGZPJMESA-N 0 0 447.044 5.134 40 0 IKABRN CC(C)c1ccccc1OCCNC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223781178 557512429 /nfs/dbraw/zinc/51/24/29/557512429.db2.gz ALDDMWGJUCAYAZ-UHFFFAOYSA-N 0 0 448.401 5.444 40 0 IKABRN Cc1ccccc1CN(C(=O)COc1cccc2ccccc21)[C@@H](C)C(=O)NC1CCCC1 ZINC000223781391 557512455 /nfs/dbraw/zinc/51/24/55/557512455.db2.gz LEJIOLPLGKNLKU-NRFANRHFSA-N 0 0 444.575 5.003 40 0 IKABRN Cc1cccc(CSCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223788580 557513411 /nfs/dbraw/zinc/51/34/11/557513411.db2.gz XDFYWZBZXITSOY-OAQYLSRUSA-N 0 0 438.637 5.013 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223788567 557513416 /nfs/dbraw/zinc/51/34/16/557513416.db2.gz OEXBTJDPSFGCOD-JOCHJYFZSA-N 0 0 449.422 5.650 40 0 IKABRN Cc1ccccc1CN(C(=O)Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1 ZINC000223791049 557513864 /nfs/dbraw/zinc/51/38/64/557513864.db2.gz OQXNOZFWUFGRGC-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1c2oc(-c3ccc(F)c(Cl)c3)nc2c(Br)c(N)c1Br ZINC000020343589 557514181 /nfs/dbraw/zinc/51/41/81/557514181.db2.gz SZOPCXJLZXEQEJ-UHFFFAOYSA-N 0 0 434.490 5.703 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223793718 557514315 /nfs/dbraw/zinc/51/43/15/557514315.db2.gz FRCQHPDTTJWCHY-BJKOFHAPSA-N 0 0 434.609 5.657 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223793637 557514346 /nfs/dbraw/zinc/51/43/46/557514346.db2.gz FRCQHPDTTJWCHY-ZEQRLZLVSA-N 0 0 434.609 5.657 40 0 IKABRN CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000223793787 557514352 /nfs/dbraw/zinc/51/43/52/557514352.db2.gz LZENRPLMGZHAOO-UHFFFAOYSA-N 0 0 449.422 5.524 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223793541 557514387 /nfs/dbraw/zinc/51/43/87/557514387.db2.gz OIVKEBPLDBWJCO-NRFANRHFSA-N 0 0 435.395 5.260 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223794546 557514412 /nfs/dbraw/zinc/51/44/12/557514412.db2.gz SDHGIMQCFNMPDA-QHCPKHFHSA-N 0 0 429.004 5.223 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 ZINC000223795647 557514582 /nfs/dbraw/zinc/51/45/82/557514582.db2.gz AUOMCKSSKLZXLH-OAQYLSRUSA-N 0 0 433.017 5.156 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223806240 557515236 /nfs/dbraw/zinc/51/52/36/557515236.db2.gz VSRYCIDZONBYOV-QHCPKHFHSA-N 0 0 429.004 5.305 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223806211 557515273 /nfs/dbraw/zinc/51/52/73/557515273.db2.gz VLVBSJNISSYTSL-NRFANRHFSA-N 0 0 435.395 5.260 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 ZINC000223806521 557515424 /nfs/dbraw/zinc/51/54/24/557515424.db2.gz KKNMIOUVMZDQOU-QHCPKHFHSA-N 0 0 445.003 5.223 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223806796 557515427 /nfs/dbraw/zinc/51/54/27/557515427.db2.gz ZZSGGSUDJAHTFP-QHCPKHFHSA-N 0 0 429.004 5.223 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223806464 557515488 /nfs/dbraw/zinc/51/54/88/557515488.db2.gz XPPNGKJQPRKNSS-QHCPKHFHSA-N 0 0 445.003 5.059 40 0 IKABRN Cc1ccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807766 557515726 /nfs/dbraw/zinc/51/57/26/557515726.db2.gz GFMFFRXGFJAQAR-SFHVURJKSA-N 0 0 445.028 5.217 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223807741 557515729 /nfs/dbraw/zinc/51/57/29/557515729.db2.gz UHEOGYSCPCVHII-QHCPKHFHSA-N 0 0 429.004 5.223 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223807877 557515733 /nfs/dbraw/zinc/51/57/33/557515733.db2.gz SUULLWKERHGGLB-DEOSSOPVSA-N 0 0 443.031 5.559 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223809686 557516171 /nfs/dbraw/zinc/51/61/71/557516171.db2.gz JTRCCLZDVAZUCL-HSZRJFAPSA-N 0 0 444.616 5.340 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223809694 557516273 /nfs/dbraw/zinc/51/62/73/557516273.db2.gz JTRCCLZDVAZUCL-QHCPKHFHSA-N 0 0 444.616 5.340 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814306 557516488 /nfs/dbraw/zinc/51/64/88/557516488.db2.gz IUMCCKUGHBNXMR-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814216 557516502 /nfs/dbraw/zinc/51/65/02/557516502.db2.gz BIRSBAGJRDBHHR-KRWDZBQOSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813023 557516557 /nfs/dbraw/zinc/51/65/57/557516557.db2.gz DMWGPQFDVHLAED-JOCHJYFZSA-N 0 0 434.624 5.527 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223815020 557516693 /nfs/dbraw/zinc/51/66/93/557516693.db2.gz OKNBPAOUSKBYHA-XMMPIXPASA-N 0 0 442.575 5.017 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 ZINC000223814914 557516707 /nfs/dbraw/zinc/51/67/07/557516707.db2.gz VLDUYTIKZJWRKU-SFHVURJKSA-N 0 0 445.028 5.298 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223819396 557517174 /nfs/dbraw/zinc/51/71/74/557517174.db2.gz YCUACOKPSVAPTO-IBGZPJMESA-N 0 0 426.988 5.057 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000223818963 557517177 /nfs/dbraw/zinc/51/71/77/557517177.db2.gz DMQNQFAHRRHICG-JOCHJYFZSA-N 0 0 449.422 5.650 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223828455 557517902 /nfs/dbraw/zinc/51/79/02/557517902.db2.gz SAKACRPOZMEHOV-INIZCTEOSA-N 0 0 433.379 5.012 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223828510 557517921 /nfs/dbraw/zinc/51/79/21/557517921.db2.gz SAKACRPOZMEHOV-MRXNPFEDSA-N 0 0 433.379 5.012 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223828638 557518104 /nfs/dbraw/zinc/51/81/04/557518104.db2.gz PBZJQBBQXZTLFR-MRXNPFEDSA-N 0 0 433.379 5.012 40 0 IKABRN Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223830910 557518397 /nfs/dbraw/zinc/51/83/97/557518397.db2.gz BGPSQWYVJCVEPR-SFHVURJKSA-N 0 0 445.028 5.217 40 0 IKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(Cl)c(C(=O)OC)c3)ccc21 ZINC000223833909 557518600 /nfs/dbraw/zinc/51/86/00/557518600.db2.gz CRBXMUUKGQGXTR-UHFFFAOYSA-N 0 0 442.924 5.055 40 0 IKABRN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000223835908 557518861 /nfs/dbraw/zinc/51/88/61/557518861.db2.gz XCMSSIJMCXHNLH-UHFFFAOYSA-N 0 0 439.577 5.050 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 ZINC000223836047 557518918 /nfs/dbraw/zinc/51/89/18/557518918.db2.gz XWTDPXWSQXLWJC-HNNXBMFYSA-N 0 0 439.408 5.029 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4ccc(Cl)cc4)cc3)sc2c1 ZINC000020238569 557519002 /nfs/dbraw/zinc/51/90/02/557519002.db2.gz RXBNSCLNTIBFOX-HNNXBMFYSA-N 0 0 439.005 7.044 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223838585 557519076 /nfs/dbraw/zinc/51/90/76/557519076.db2.gz AOODPMUUKIDTIC-LOSJGSFVSA-N 0 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449.422 5.648 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000223905580 557527244 /nfs/dbraw/zinc/52/72/44/557527244.db2.gz HCYRXFWWTSLLCF-QGZVFWFLSA-N 0 0 447.406 5.402 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000223905524 557527256 /nfs/dbraw/zinc/52/72/56/557527256.db2.gz HCYRXFWWTSLLCF-KRWDZBQOSA-N 0 0 447.406 5.402 40 0 IKABRN Cc1nc(NC(=S)NCc2ccc(-c3ccccc3)o2)c(Cl)cc1Br ZINC000223908857 557527657 /nfs/dbraw/zinc/52/76/57/557527657.db2.gz BJSPCWGXKQJWPA-UHFFFAOYSA-N 0 0 436.762 5.553 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223915912 557528325 /nfs/dbraw/zinc/52/83/25/557528325.db2.gz BINDJUFZMMWZCK-LOSJGSFVSA-N 0 0 445.636 5.631 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223915623 557528352 /nfs/dbraw/zinc/52/83/52/557528352.db2.gz XJEOJCKKUOOREW-ZEQRLZLVSA-N 0 0 431.609 5.241 40 0 IKABRN C[C@@H]1CCCN(c2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)C1 ZINC000223916126 557528576 /nfs/dbraw/zinc/52/85/76/557528576.db2.gz NDFSUPRGQDQOCS-MRXNPFEDSA-N 0 0 441.000 5.718 40 0 IKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 ZINC000003865097 557529880 /nfs/dbraw/zinc/52/98/80/557529880.db2.gz ZCJKFYHNWQJUCU-WOYJLCBPSA-N 0 0 430.529 5.220 40 0 IKABRN CC(C)[C@@H](O)[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000003864902 557529912 /nfs/dbraw/zinc/52/99/12/557529912.db2.gz ITBZCTBEJMCLOU-UYGUEYGGSA-N 0 0 430.610 7.109 40 0 IKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 ZINC000003865098 557529923 /nfs/dbraw/zinc/52/99/23/557529923.db2.gz ZCJKFYHNWQJUCU-OAUMQMJJSA-N 0 0 430.529 5.220 40 0 IKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000223929113 557530012 /nfs/dbraw/zinc/53/00/12/557530012.db2.gz SKSZAKYVJOVXDF-UHFFFAOYSA-N 0 0 442.496 5.639 40 0 IKABRN 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ZINC000224343640 557595058 /nfs/dbraw/zinc/59/50/58/557595058.db2.gz HTUNSQYEHUUXRC-RPBOFIJWSA-N 0 0 442.563 5.751 40 0 IKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000224343779 557595065 /nfs/dbraw/zinc/59/50/65/557595065.db2.gz DYVOUSNSFHYXAH-DQEYMECFSA-N 0 0 442.563 5.751 40 0 IKABRN COc1ccc(CNC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 ZINC000224345700 557595248 /nfs/dbraw/zinc/59/52/48/557595248.db2.gz KTIJCMUQQDBDHM-UHFFFAOYSA-N 0 0 427.953 5.580 40 0 IKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1 ZINC000224346920 557595413 /nfs/dbraw/zinc/59/54/13/557595413.db2.gz KDQKEXDEOOKGQK-JWQCQUIFSA-N 0 0 439.588 5.066 40 0 IKABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1CSc1ccc(Cl)cc1 ZINC000224350412 557596435 /nfs/dbraw/zinc/59/64/35/557596435.db2.gz XUIXEFSTLLBQAD-UHFFFAOYSA-N 0 0 427.909 5.622 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1CSc1ccc(Cl)cc1 ZINC000224350812 557596441 /nfs/dbraw/zinc/59/64/41/557596441.db2.gz XOJDDDSDCHWUPC-UHFFFAOYSA-N 0 0 429.994 6.615 40 0 IKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 ZINC000224350589 557596446 /nfs/dbraw/zinc/59/64/46/557596446.db2.gz BQIUVGWDDFACEH-DEOSSOPVSA-N 0 0 441.015 5.447 40 0 IKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000224352269 557596839 /nfs/dbraw/zinc/59/68/39/557596839.db2.gz XBLVMCHGXBZMDE-RPBOFIJWSA-N 0 0 430.621 6.128 40 0 IKABRN CCN(c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224355296 557597213 /nfs/dbraw/zinc/59/72/13/557597213.db2.gz OGICQEJITVARHV-UHFFFAOYSA-N 0 0 448.466 5.173 40 0 IKABRN COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COCc1ccccc1 ZINC000224356756 557597409 /nfs/dbraw/zinc/59/74/09/557597409.db2.gz WILHQJQVKKDCNZ-UHFFFAOYSA-N 0 0 439.511 6.457 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 ZINC000224357509 557597448 /nfs/dbraw/zinc/59/74/48/557597448.db2.gz JIXIAITVHOHREE-DQEYMECFSA-N 0 0 439.588 5.568 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 ZINC000224357657 557597455 /nfs/dbraw/zinc/59/74/55/557597455.db2.gz JIXIAITVHOHREE-JWQCQUIFSA-N 0 0 439.588 5.568 40 0 IKABRN CCN(c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224357891 557597589 /nfs/dbraw/zinc/59/75/89/557597589.db2.gz JVOOIVZOYCFNPS-UHFFFAOYSA-N 0 0 428.941 5.116 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000224363541 557598135 /nfs/dbraw/zinc/59/81/35/557598135.db2.gz VRFVULCKIQAHKV-JWQCQUIFSA-N 0 0 430.621 6.299 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C(C)C ZINC000224364574 557598315 /nfs/dbraw/zinc/59/83/15/557598315.db2.gz PEUVQORQFMMQSW-RPBOFIJWSA-N 0 0 432.637 6.381 40 0 IKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000224365278 557598332 /nfs/dbraw/zinc/59/83/32/557598332.db2.gz LQKGRAKDFQNSJB-JOCHJYFZSA-N 0 0 447.406 5.402 40 0 IKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000224365151 557598368 /nfs/dbraw/zinc/59/83/68/557598368.db2.gz XHAVEWQQPUWBOI-JOCHJYFZSA-N 0 0 447.406 5.402 40 0 IKABRN CCN(c1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224365452 557598378 /nfs/dbraw/zinc/59/83/78/557598378.db2.gz ZSQPJYZLTLKCEV-FQEVSTJZSA-N 0 0 436.577 5.010 40 0 IKABRN COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224365349 557598384 /nfs/dbraw/zinc/59/83/84/557598384.db2.gz QAGKRAHSXGCNKI-RPBOFIJWSA-N 0 0 448.636 5.447 40 0 IKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224366198 557598562 /nfs/dbraw/zinc/59/85/62/557598562.db2.gz NWSKNCVKVCLGKK-XMMPIXPASA-N 0 0 441.015 5.366 40 0 IKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 ZINC000224366008 557598595 /nfs/dbraw/zinc/59/85/95/557598595.db2.gz DMRJLKFTKLSKAM-QHCPKHFHSA-N 0 0 426.988 5.057 40 0 IKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224366139 557598629 /nfs/dbraw/zinc/59/86/29/557598629.db2.gz NWSKNCVKVCLGKK-DEOSSOPVSA-N 0 0 441.015 5.366 40 0 IKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 ZINC000224367337 557598730 /nfs/dbraw/zinc/59/87/30/557598730.db2.gz ZHEQUIFKHZUNKD-QHCPKHFHSA-N 0 0 442.600 5.092 40 0 IKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000224371414 557598962 /nfs/dbraw/zinc/59/89/62/557598962.db2.gz LLEGDGBPDVIPNB-FQEVSTJZSA-N 0 0 439.606 5.505 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000224374610 557599142 /nfs/dbraw/zinc/59/91/42/557599142.db2.gz KOFXVWGLMRTEJT-IZZNHLLZSA-N 0 0 444.648 6.689 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1C ZINC000224373371 557599147 /nfs/dbraw/zinc/59/91/47/557599147.db2.gz YFRDWTHNRCEEFL-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000224374867 557599150 /nfs/dbraw/zinc/59/91/50/557599150.db2.gz LSFNLEUDUDMKNO-CLJLJLNGSA-N 0 0 438.600 6.173 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000224374775 557599182 /nfs/dbraw/zinc/59/91/82/557599182.db2.gz LSFNLEUDUDMKNO-FTJBHMTQSA-N 0 0 438.600 6.173 40 0 IKABRN O=C(NCCOc1ccccc1Cl)c1ccc(OCCSc2ccccc2)cc1 ZINC000224380315 557599564 /nfs/dbraw/zinc/59/95/64/557599564.db2.gz NIQAEOYRODDMLP-UHFFFAOYSA-N 0 0 427.953 5.320 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000224379659 557599567 /nfs/dbraw/zinc/59/95/67/557599567.db2.gz ZZIOYFOKSMDXHD-FTJBHMTQSA-N 0 0 439.584 6.642 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224384220 557599870 /nfs/dbraw/zinc/59/98/70/557599870.db2.gz IUZRSWNDDXYLNV-DQEYMECFSA-N 0 0 430.621 6.299 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224384295 557599882 /nfs/dbraw/zinc/59/98/82/557599882.db2.gz IUZRSWNDDXYLNV-LOSJGSFVSA-N 0 0 430.621 6.299 40 0 IKABRN COc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000224385545 557600126 /nfs/dbraw/zinc/60/01/26/557600126.db2.gz WMXGERDBMMSMGH-UHFFFAOYSA-N 0 0 430.548 5.735 40 0 IKABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224386590 557600301 /nfs/dbraw/zinc/60/03/01/557600301.db2.gz JYNDGTTYXGCXKB-SFHVURJKSA-N 0 0 449.422 5.342 40 0 IKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 ZINC000224389088 557600484 /nfs/dbraw/zinc/60/04/84/557600484.db2.gz SBOOTRZMEBFHOQ-DLBZAZTESA-N 0 0 434.359 5.222 40 0 IKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 ZINC000224389056 557600513 /nfs/dbraw/zinc/60/05/13/557600513.db2.gz SBOOTRZMEBFHOQ-SJORKVTESA-N 0 0 434.359 5.222 40 0 IKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 ZINC000224388866 557600520 /nfs/dbraw/zinc/60/05/20/557600520.db2.gz RZFUDYCFZDGJGM-SJORKVTESA-N 0 0 434.359 5.222 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1nccs1 ZINC000224391518 557600931 /nfs/dbraw/zinc/60/09/31/557600931.db2.gz FCMPCXRZKCACQT-SFTDATJTSA-N 0 0 449.580 5.262 40 0 IKABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 ZINC000224393287 557601163 /nfs/dbraw/zinc/60/11/63/557601163.db2.gz HVTXMEJTENBAAU-RPWUZVMVSA-N 0 0 444.535 5.197 40 0 IKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1CSc1ccc(Cl)cc1 ZINC000224392492 557601196 /nfs/dbraw/zinc/60/11/96/557601196.db2.gz WTMWAVMUHDYNKW-HNNXBMFYSA-N 0 0 446.399 6.785 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC2CCCC2)cc1 ZINC000224400565 557602088 /nfs/dbraw/zinc/60/20/88/557602088.db2.gz QCVXHLYOHHPTCV-VWLOTQADSA-N 0 0 438.587 5.187 40 0 IKABRN CCCC[C@H](CC)CNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224400416 557602099 /nfs/dbraw/zinc/60/20/99/557602099.db2.gz YPFADRVQSDCPBS-KRWDZBQOSA-N 0 0 437.005 5.395 40 0 IKABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 ZINC000224408371 557602924 /nfs/dbraw/zinc/60/29/24/557602924.db2.gz VKLMGWAHHUSCQA-RPWUZVMVSA-N 0 0 444.535 5.197 40 0 IKABRN Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224407801 557602994 /nfs/dbraw/zinc/60/29/94/557602994.db2.gz YGRWEZWEJISUSA-XZOQPEGZSA-N 0 0 432.499 5.328 40 0 IKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000224408776 557603199 /nfs/dbraw/zinc/60/31/99/557603199.db2.gz OTFOIGLEMALJMY-QFIPXVFZSA-N 0 0 447.406 5.402 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1C ZINC000224409890 557603212 /nfs/dbraw/zinc/60/32/12/557603212.db2.gz OOKMGEFIFFQYRR-JWQCQUIFSA-N 0 0 442.563 5.805 40 0 IKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000224410321 557603380 /nfs/dbraw/zinc/60/33/80/557603380.db2.gz BWIIXZSNTGBEJG-FCHUYYIVSA-N 0 0 449.942 5.237 40 0 IKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)cc1 ZINC000224410893 557603394 /nfs/dbraw/zinc/60/33/94/557603394.db2.gz YFJKQMHWQIKOSB-XZOQPEGZSA-N 0 0 447.560 6.142 40 0 IKABRN Cc1ccc(C)c(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224415682 557603875 /nfs/dbraw/zinc/60/38/75/557603875.db2.gz SMDDAGMZLSGUFA-SFHVURJKSA-N 0 0 449.422 5.342 40 0 IKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000224420547 557604269 /nfs/dbraw/zinc/60/42/69/557604269.db2.gz JCPHXWOBLDVDGG-IRXDYDNUSA-N 0 0 434.359 5.222 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000224421251 557604320 /nfs/dbraw/zinc/60/43/20/557604320.db2.gz SZLNBEIZTONKHO-UHFFFAOYSA-N 0 0 444.556 5.221 40 0 IKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000224420445 557604363 /nfs/dbraw/zinc/60/43/63/557604363.db2.gz NTHDFYVWSPKIML-DLBZAZTESA-N 0 0 434.359 5.222 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 ZINC000224424818 557604898 /nfs/dbraw/zinc/60/48/98/557604898.db2.gz YARGDXUGJWKWNC-UHFFFAOYSA-N 0 0 436.577 5.191 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000224425811 557605005 /nfs/dbraw/zinc/60/50/05/557605005.db2.gz JJZIFIIYAZWQFL-LJQANCHMSA-N 0 0 449.595 5.892 40 0 IKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000224426398 557605012 /nfs/dbraw/zinc/60/50/12/557605012.db2.gz VPWCSPBZCLJJRT-DHIUTWEWSA-N 0 0 448.954 5.842 40 0 IKABRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 ZINC000224426858 557605222 /nfs/dbraw/zinc/60/52/22/557605222.db2.gz GUMDQYFYYAYDGZ-BJKOFHAPSA-N 0 0 428.536 5.497 40 0 IKABRN CN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224431523 557605598 /nfs/dbraw/zinc/60/55/98/557605598.db2.gz CUBPOAIYKNFPTL-UHFFFAOYSA-N 0 0 449.359 5.066 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CCCCC1 ZINC000224430294 557605703 /nfs/dbraw/zinc/60/57/03/557605703.db2.gz IQKVUKJNCXVNFW-DQEYMECFSA-N 0 0 448.611 6.321 40 0 IKABRN CN(Cc1ccc(C(=O)NC2CCCCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224434864 557605944 /nfs/dbraw/zinc/60/59/44/557605944.db2.gz XZQDUPGNCGNHGM-UHFFFAOYSA-N 0 0 449.016 5.003 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000224438177 557606180 /nfs/dbraw/zinc/60/61/80/557606180.db2.gz JGBZDDQJHOAACP-NRFANRHFSA-N 0 0 435.395 5.096 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224440215 557606357 /nfs/dbraw/zinc/60/63/57/557606357.db2.gz BDTRHVVDTOUEEU-BJKOFHAPSA-N 0 0 428.536 5.497 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224440139 557606375 /nfs/dbraw/zinc/60/63/75/557606375.db2.gz BDTRHVVDTOUEEU-DNQXCXABSA-N 0 0 428.536 5.497 40 0 IKABRN Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 ZINC000224440974 557606568 /nfs/dbraw/zinc/60/65/68/557606568.db2.gz FHTUSXBZUJRNMJ-XZOQPEGZSA-N 0 0 432.499 5.328 40 0 IKABRN Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F ZINC000224440741 557606577 /nfs/dbraw/zinc/60/65/77/557606577.db2.gz PBOXQNNBVLUPDP-PKTZIBPZSA-N 0 0 432.499 5.328 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1C ZINC000224443315 557606697 /nfs/dbraw/zinc/60/66/97/557606697.db2.gz CWRGBBFDUGXWLL-DQEYMECFSA-N 0 0 442.563 5.805 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1C ZINC000224443260 557606708 /nfs/dbraw/zinc/60/67/08/557606708.db2.gz CWRGBBFDUGXWLL-LOSJGSFVSA-N 0 0 442.563 5.805 40 0 IKABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224441925 557606728 /nfs/dbraw/zinc/60/67/28/557606728.db2.gz BBZKIIHVGBYGTH-BJKOFHAPSA-N 0 0 444.535 5.197 40 0 IKABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 ZINC000224441705 557606732 /nfs/dbraw/zinc/60/67/32/557606732.db2.gz VRNNMIKJZZVQAD-RPWUZVMVSA-N 0 0 444.535 5.197 40 0 IKABRN CCCCOCc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OC ZINC000224442508 557606746 /nfs/dbraw/zinc/60/67/46/557606746.db2.gz GSCRALTVEGCWBS-UHFFFAOYSA-N 0 0 439.939 6.710 40 0 IKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000224444195 557606893 /nfs/dbraw/zinc/60/68/93/557606893.db2.gz UPCRRKBBOINMPL-PKTZIBPZSA-N 0 0 447.560 6.142 40 0 IKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000224443694 557606903 /nfs/dbraw/zinc/60/69/03/557606903.db2.gz CVABTFNWTLGMBI-FGZHOGPDSA-N 0 0 449.942 5.237 40 0 IKABRN Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 ZINC000224444864 557607078 /nfs/dbraw/zinc/60/70/78/557607078.db2.gz AJPYFDHVYPSXQU-GOTSBHOMSA-N 0 0 433.483 5.797 40 0 IKABRN CCN(Cc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224447757 557607261 /nfs/dbraw/zinc/60/72/61/557607261.db2.gz HOOLOTYLKZYHFV-UHFFFAOYSA-N 0 0 436.577 5.075 40 0 IKABRN CCN(Cc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224454151 557607808 /nfs/dbraw/zinc/60/78/08/557607808.db2.gz NOBZKOPUUYSETA-UHFFFAOYSA-N 0 0 436.577 5.075 40 0 IKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000224453647 557607829 /nfs/dbraw/zinc/60/78/29/557607829.db2.gz YIXUZGYNCBWXQL-OAHLLOKOSA-N 0 0 438.420 5.689 40 0 IKABRN 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Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)c1C ZINC000059176113 557817380 /nfs/dbraw/zinc/81/73/80/557817380.db2.gz UFNSLMUAUILYTL-UHFFFAOYSA-N 0 0 438.336 5.303 40 0 IKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc(C)c3C)o2)c1 ZINC000059179501 557817540 /nfs/dbraw/zinc/81/75/40/557817540.db2.gz XISNYIQLVXTGCG-UHFFFAOYSA-N 0 0 425.554 5.428 40 0 IKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)c1 ZINC000059179528 557817587 /nfs/dbraw/zinc/81/75/87/557817587.db2.gz VLRGHUIKXAFHQL-UHFFFAOYSA-N 0 0 445.972 5.773 40 0 IKABRN Cc1ccc(OCCSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 ZINC000059182085 557817703 /nfs/dbraw/zinc/81/77/03/557817703.db2.gz FVGHPQFFRXHFEY-UHFFFAOYSA-N 0 0 448.613 5.806 40 0 IKABRN Cc1ccccc1OCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000059182082 557817720 /nfs/dbraw/zinc/81/77/20/557817720.db2.gz RMKPJRBVUZDHDQ-UHFFFAOYSA-N 0 0 448.613 5.806 40 0 IKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 ZINC000059212660 557818528 /nfs/dbraw/zinc/81/85/28/557818528.db2.gz XCBGJQALEDMSLT-UHFFFAOYSA-N 0 0 442.953 5.553 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000059267775 557819388 /nfs/dbraw/zinc/81/93/88/557819388.db2.gz ZXZZOJCQSDRHGM-UHFFFAOYSA-N 0 0 428.728 5.736 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(I)cc2)cc1 ZINC000059294024 557819469 /nfs/dbraw/zinc/81/94/69/557819469.db2.gz CJJANTHATUTKRX-UHFFFAOYSA-N 0 0 437.321 5.385 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)c(C)c1 ZINC000059294303 557819800 /nfs/dbraw/zinc/81/98/00/557819800.db2.gz IWZUQDVQRNHAQV-RVDMUPIBSA-N 0 0 434.495 7.024 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000059294546 557820047 /nfs/dbraw/zinc/82/00/47/557820047.db2.gz PAVHMPXIUAQGGQ-UHFFFAOYSA-N 0 0 444.600 7.057 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000059294562 557820050 /nfs/dbraw/zinc/82/00/50/557820050.db2.gz LVAJFIAHYHXXNJ-JQIJEIRASA-N 0 0 442.902 6.504 40 0 IKABRN Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1C ZINC000059109417 557820408 /nfs/dbraw/zinc/82/04/08/557820408.db2.gz YDIPDPDGMRAOKS-UHFFFAOYSA-N 0 0 440.259 5.845 40 0 IKABRN COc1ccc(OCCSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1 ZINC000059109304 557820483 /nfs/dbraw/zinc/82/04/83/557820483.db2.gz ZUGFLZKDANKNJX-UHFFFAOYSA-N 0 0 438.574 5.244 40 0 IKABRN COc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2-c2ccc(OC)cc2)cc1 ZINC000059464310 557821815 /nfs/dbraw/zinc/82/18/15/557821815.db2.gz NVGSYUYKAXDOLR-UHFFFAOYSA-N 0 0 430.529 6.055 40 0 IKABRN COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1Cl ZINC000059409172 557822623 /nfs/dbraw/zinc/82/26/23/557822623.db2.gz HGJZQTXCHRODDF-QFIPXVFZSA-N 0 0 445.371 6.278 40 0 IKABRN COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc2ccccc2c1 ZINC000059409181 557822637 /nfs/dbraw/zinc/82/26/37/557822637.db2.gz MBHBDQXASQUWLB-SANMLTNESA-N 0 0 426.541 6.124 40 0 IKABRN COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059409215 557822801 /nfs/dbraw/zinc/82/28/01/557822801.db2.gz FKPQUSIQXFDQSB-QFIPXVFZSA-N 0 0 445.371 6.278 40 0 IKABRN O=C(Nc1ccc2nc(SCc3ccccn3)sc2c1)c1ccc(Cl)cc1Cl ZINC000059417571 557822998 /nfs/dbraw/zinc/82/29/98/557822998.db2.gz CGVNVNNQELUSBO-UHFFFAOYSA-N 0 0 446.384 6.543 40 0 IKABRN CN(C)S(=O)(=O)c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 ZINC000059417623 557823012 /nfs/dbraw/zinc/82/30/12/557823012.db2.gz UEDOTXHULJLNCW-UHFFFAOYSA-N 0 0 433.407 5.146 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000059418134 557823180 /nfs/dbraw/zinc/82/31/80/557823180.db2.gz WUVMDSGNUKSTGM-HZHRSRAPSA-N 0 0 449.503 6.044 40 0 IKABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(CC)c4ccccc4C3c3ccccc32)cc1 ZINC000059433367 557823887 /nfs/dbraw/zinc/82/38/87/557823887.db2.gz OQPPFTCYHJDUAM-PAHSPFOQSA-N 0 0 437.539 5.436 40 0 IKABRN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000059639212 557824275 /nfs/dbraw/zinc/82/42/75/557824275.db2.gz FYUXSGYLJPSRNS-INIZCTEOSA-N 0 0 429.687 5.098 40 0 IKABRN O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3ccccc3Cl)sc2c1 ZINC000059474759 557824437 /nfs/dbraw/zinc/82/44/37/557824437.db2.gz DKEHMHFKDZRBPC-UHFFFAOYSA-N 0 0 436.945 6.043 40 0 IKABRN Fc1ccccc1CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 ZINC000059474537 557824509 /nfs/dbraw/zinc/82/45/09/557824509.db2.gz UIUGKTYOIFODNL-UHFFFAOYSA-N 0 0 440.341 6.128 40 0 IKABRN O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000059475325 557824710 /nfs/dbraw/zinc/82/47/10/557824710.db2.gz GDMHUKZYQXWVMY-UHFFFAOYSA-N 0 0 436.924 5.024 40 0 IKABRN Cc1cc2nc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)oc2c(C)c1 ZINC000059477573 557824899 /nfs/dbraw/zinc/82/48/99/557824899.db2.gz SYFMKHHGWGZJST-FYWRMAATSA-N 0 0 434.495 7.024 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000059477602 557824935 /nfs/dbraw/zinc/82/49/35/557824935.db2.gz OWHDZPRSVKHPRC-NTCAYCPXSA-N 0 0 440.886 7.060 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000059483602 557825053 /nfs/dbraw/zinc/82/50/53/557825053.db2.gz LYVGQJAHXBQXED-RUZDIDTESA-N 0 0 427.931 6.083 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000059483600 557825085 /nfs/dbraw/zinc/82/50/85/557825085.db2.gz LYVGQJAHXBQXED-VWLOTQADSA-N 0 0 427.931 6.083 40 0 IKABRN O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2ccccc21 ZINC000059488780 557825804 /nfs/dbraw/zinc/82/58/04/557825804.db2.gz JOYBAURVRDKZJY-MUUNZHRXSA-N 0 0 437.495 5.666 40 0 IKABRN C[C@H](Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1)C(=O)Nc1nccs1 ZINC000059489612 557825867 /nfs/dbraw/zinc/82/58/67/557825867.db2.gz DVNWOCBSPHFQLQ-LBPRGKRZSA-N 0 0 440.575 5.124 40 0 IKABRN Fc1cccc(-c2nnc(SCc3cc(Cl)ccc3Cl)n2-c2ccccc2)c1 ZINC000059497622 557826367 /nfs/dbraw/zinc/82/63/67/557826367.db2.gz AKVSWQZODNBCEX-UHFFFAOYSA-N 0 0 430.335 6.673 40 0 IKABRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000059500414 557826525 /nfs/dbraw/zinc/82/65/25/557826525.db2.gz GNTDGAJRAGDPMV-QQNJPBSNSA-N 0 0 448.349 5.954 40 0 IKABRN Cc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000059502204 557826676 /nfs/dbraw/zinc/82/66/76/557826676.db2.gz QYUTUHYNRZPKHB-UHFFFAOYSA-N 0 0 439.298 5.202 40 0 IKABRN CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000059502723 557826686 /nfs/dbraw/zinc/82/66/86/557826686.db2.gz UYVXKJWTJRZPPK-KQWNVCNZSA-N 0 0 445.946 6.561 40 0 IKABRN CCN(CC)C(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 ZINC000059843009 557827651 /nfs/dbraw/zinc/82/76/51/557827651.db2.gz UNPXUZCDXJDAQK-UHFFFAOYSA-N 0 0 442.140 6.046 40 0 IKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000059960943 557828116 /nfs/dbraw/zinc/82/81/16/557828116.db2.gz YMMKABHAHAVIKN-DUXBZUBYSA-N 0 0 426.025 6.927 40 0 IKABRN O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Br)cc1 ZINC000059961022 557828150 /nfs/dbraw/zinc/82/81/50/557828150.db2.gz SPXOLMPUDAPOSY-UHFFFAOYSA-N 0 0 446.410 5.718 40 0 IKABRN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000231423039 557835881 /nfs/dbraw/zinc/83/58/81/557835881.db2.gz KDQCTUZGUPZLOQ-OAHLLOKOSA-N 0 0 427.397 5.018 40 0 IKABRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000000863707 557836646 /nfs/dbraw/zinc/83/66/46/557836646.db2.gz DTTYETOWKYXTEI-UHFFFAOYSA-N 0 0 434.952 5.242 40 0 IKABRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000123291921 557837155 /nfs/dbraw/zinc/83/71/55/557837155.db2.gz DJODDBKOSONKJI-COFWFLTOSA-N 0 0 448.644 5.137 40 0 IKABRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000123288997 557837193 /nfs/dbraw/zinc/83/71/93/557837193.db2.gz DVIUCIPCTDVQAP-KNKKRCMWSA-N 0 0 432.645 6.166 40 0 IKABRN CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1=O ZINC000123318744 557837313 /nfs/dbraw/zinc/83/73/13/557837313.db2.gz DKOFZQMYSDOQHR-WWYAHNEDSA-N 0 0 444.700 7.218 40 0 IKABRN Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CN4C(=O)C5=C(CCCC5)C4=O)C=C3C)nc21 ZINC000077262079 560046746 /nfs/dbraw/zinc/04/67/46/560046746.db2.gz AZBKKELNGXLHNF-JTAQYXEDSA-N 0 0 445.607 5.508 40 0 biogenic,in-vitro IKABRN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3CC(=O)[C@@]2(O)C1 ZINC000036020277 560086792 /nfs/dbraw/zinc/08/67/92/560086792.db2.gz MCXULCLKYCWUMP-ULVDALPQSA-N 0 0 432.689 6.417 40 0 biogenic,in-vitro IKABRN Fc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3cc4ccccc4o3)n2)cc1Cl ZINC000015707288 560096716 /nfs/dbraw/zinc/09/67/16/560096716.db2.gz WHXZFDIRXYNOLX-FQEVSTJZSA-N 0 0 449.873 5.298 40 0 biogenic,in-vitro IKABRN COC(=O)CC[C@@H](C)C1=C2[C@@H](CC1)[C@@H]1CC[C@@H]3C[C@H](OC(C)=O)CC[C@]3(C)[C@H]1C[C@H]2C ZINC000004104901 560197017 /nfs/dbraw/zinc/19/70/17/560197017.db2.gz RURACZOOLZNYIQ-VCDUDIKXSA-N 0 0 430.629 6.086 40 0 biogenic,in-vitro IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@@H]4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000005761091 560202974 /nfs/dbraw/zinc/20/29/74/560202974.db2.gz NGEVNHYPVVOXPB-RZZBNZQCSA-N 0 0 438.696 7.902 40 0 in-vitro IKABRN O=C(Nc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(/C=C/c3ccc(Cl)cc3)c12 ZINC000008296347 560208115 /nfs/dbraw/zinc/20/81/15/560208115.db2.gz RVTHCDHHKOWYGB-NTPJFSOPSA-N 0 0 445.950 5.323 40 0 biogenic,in-vitro IKABRN Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccs2)C1 ZINC000008624043 560210033 /nfs/dbraw/zinc/21/00/33/560210033.db2.gz JQBKVUNSNCNFPX-NVXWUHKLSA-N 0 0 431.483 5.412 40 0 biogenic,in-vitro IKABRN CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C ZINC000004289017 562943026 /nfs/dbraw/zinc/94/30/26/562943026.db2.gz VNGFAWSISVJGAU-UHFFFAOYSA-N 0 0 431.310 5.092 40 0 IKABRN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3o2)cc1 ZINC000008860093 562965265 /nfs/dbraw/zinc/96/52/65/562965265.db2.gz WKLKIUIJGJSSCD-LJQANCHMSA-N 0 0 449.557 5.368 40 0 IKABRN CC(C)Cn1c2nnc(SCc3ccc(Cl)cc3)n2c2ccc(Cl)cc2c1=O ZINC000032985589 563084350 /nfs/dbraw/zinc/08/43/50/563084350.db2.gz FWKMAZQGRVQBSP-UHFFFAOYSA-N 0 0 433.364 5.299 40 0 IKABRN CCOc1ccc2[nH]c(=O)c(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)cc2c1 ZINC000000879528 568620441 /nfs/dbraw/zinc/62/04/41/568620441.db2.gz VRTRKGXIGCNWAQ-GOSISDBHSA-N 0 0 449.620 5.307 40 0 IKABRN CCOc1ccc2[nH]c(=O)c(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)cc2c1 ZINC000000879526 568620484 /nfs/dbraw/zinc/62/04/84/568620484.db2.gz VRTRKGXIGCNWAQ-SFHVURJKSA-N 0 0 449.620 5.307 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000222546799 568626490 /nfs/dbraw/zinc/62/64/90/568626490.db2.gz OFTQIVIVGLLPKF-UHFFFAOYSA-N 0 0 448.466 5.091 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1C ZINC000223181830 568626603 /nfs/dbraw/zinc/62/66/03/568626603.db2.gz MLXJDUJNCRSNKO-LJQANCHMSA-N 0 0 448.588 5.084 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2cccc(F)c2)c1C ZINC000026770907 568738745 /nfs/dbraw/zinc/73/87/45/568738745.db2.gz FVEAYCONINERQC-DEOSSOPVSA-N 0 0 430.548 6.958 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccc(Cl)cc2)c2ccccc2)c1C ZINC000026770755 568738748 /nfs/dbraw/zinc/73/87/48/568738748.db2.gz AYNUWIUZNJYLFX-XMMPIXPASA-N 0 0 447.003 7.472 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)c2C)c2ccccc2)c1C ZINC000026770828 568738757 /nfs/dbraw/zinc/73/87/57/568738757.db2.gz CODHVVDXVUPHND-AREMUKBSSA-N 0 0 440.612 7.436 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(Cl)c2)c2ccccc2)c1C ZINC000026770782 568738829 /nfs/dbraw/zinc/73/88/29/568738829.db2.gz ILLISAUVLKWISO-DEOSSOPVSA-N 0 0 447.003 7.472 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)cc(C)c2)c2ccccc2)c1C ZINC000026770835 568738844 /nfs/dbraw/zinc/73/88/44/568738844.db2.gz JGFKBRHKPVGJHK-AREMUKBSSA-N 0 0 440.612 7.436 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2F)c2ccccc2)c1C ZINC000026770808 568738856 /nfs/dbraw/zinc/73/88/56/568738856.db2.gz BGPTYQGNTLXTQQ-DEOSSOPVSA-N 0 0 430.548 6.958 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2cccc(Cl)c2)c1C ZINC000026770904 568738885 /nfs/dbraw/zinc/73/88/85/568738885.db2.gz UUGPYEIUDUAKPM-XMMPIXPASA-N 0 0 447.003 7.472 40 0 IKABRN O=C(Nc1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000026780050 568738998 /nfs/dbraw/zinc/73/89/98/568738998.db2.gz QETSMPMCEHQLGZ-UHFFFAOYSA-N 0 0 448.759 5.075 40 0 IKABRN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000004074097 568760484 /nfs/dbraw/zinc/76/04/84/568760484.db2.gz XGDVSJLOTVQNKY-UEADHGJPSA-N 0 0 440.712 7.446 40 0 biogenic IKABRN Nc1c(Br)cc2nc(-c3cc(Cl)ccc3Cl)oc2c1Br ZINC000070461365 568782781 /nfs/dbraw/zinc/78/27/81/568782781.db2.gz SOIKKRPSLMVXFB-UHFFFAOYSA-N 0 0 436.918 5.909 40 0 IKABRN O=C(Nc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccccc1)c1cccs1 ZINC000027562553 568783194 /nfs/dbraw/zinc/78/31/94/568783194.db2.gz LQECOMIXMMGEHE-UHFFFAOYSA-N 0 0 430.510 5.897 40 0 IKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000072229915 568783222 /nfs/dbraw/zinc/78/32/22/568783222.db2.gz HMTAWPGVQRRMKW-QHCPKHFHSA-N 0 0 438.310 6.587 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230058 568783245 /nfs/dbraw/zinc/78/32/45/568783245.db2.gz PBHYEDMQUNYDPD-OAQYLSRUSA-N 0 0 436.722 5.746 40 0 IKABRN COc1cc(/C=C/c2ccccc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000001744249 568788000 /nfs/dbraw/zinc/78/80/00/568788000.db2.gz HDSKFYUHRHIQTJ-OUKQBFOZSA-N 0 0 436.507 6.517 40 0 IKABRN CC(C)c1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000001787372 568788014 /nfs/dbraw/zinc/78/80/14/568788014.db2.gz XTEIDMKAMBDQDV-UHFFFAOYSA-N 0 0 432.402 6.668 40 0 IKABRN CCCCOc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 ZINC000001791025 568788036 /nfs/dbraw/zinc/78/80/36/568788036.db2.gz VARBDXMNAXEDTL-UHFFFAOYSA-N 0 0 442.584 6.760 40 0 IKABRN CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C)c1-c1ccc(Cl)cc1 ZINC000001791059 568788058 /nfs/dbraw/zinc/78/80/58/568788058.db2.gz WZSXZDSIMBDBBT-UHFFFAOYSA-N 0 0 434.344 6.459 40 0 IKABRN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000001782448 568788084 /nfs/dbraw/zinc/78/80/84/568788084.db2.gz UTUQNWPPLVQMBR-DHZHZOJOSA-N 0 0 436.375 5.399 40 0 IKABRN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001279218 568788261 /nfs/dbraw/zinc/78/82/61/568788261.db2.gz JWOXGBPNHNPCOG-QHCPKHFHSA-N 0 0 444.332 5.897 40 0 IKABRN Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c(C)c1 ZINC000001436544 568788270 /nfs/dbraw/zinc/78/82/70/568788270.db2.gz SBIHRMCKSCSROC-VWLOTQADSA-N 0 0 441.531 5.261 40 0 IKABRN Cc1ccc(Br)cc1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000001810830 568788443 /nfs/dbraw/zinc/78/84/43/568788443.db2.gz FWALLJZLUUAOAV-UHFFFAOYSA-N 0 0 426.379 5.755 40 0 IKABRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCCOc1ccc(C)cc1 ZINC000001903870 568788488 /nfs/dbraw/zinc/78/84/88/568788488.db2.gz DSRCIIPNIHULMA-UHFFFAOYSA-N 0 0 437.561 6.006 40 0 IKABRN CCCC(=O)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2-c1ccc(OC)c(Cl)c1 ZINC000001522215 568788510 /nfs/dbraw/zinc/78/85/10/568788510.db2.gz RHLVEODNFJQBAL-UHFFFAOYSA-N 0 0 429.900 5.483 40 0 IKABRN CC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000001916385 568788648 /nfs/dbraw/zinc/78/86/48/568788648.db2.gz VBPQKEMRKXPCKS-UHFFFAOYSA-N 0 0 442.584 6.792 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000001916449 568788665 /nfs/dbraw/zinc/78/86/65/568788665.db2.gz WSOMBKVJNFYRSF-UHFFFAOYSA-N 0 0 446.547 6.293 40 0 IKABRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccc(Cl)cc1C ZINC000001916447 568788776 /nfs/dbraw/zinc/78/87/76/568788776.db2.gz GUGXWXCXAPOFEV-UHFFFAOYSA-N 0 0 443.952 5.880 40 0 IKABRN O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000002729734 568788813 /nfs/dbraw/zinc/78/88/13/568788813.db2.gz DVVYKDUJMCBMHQ-UHFFFAOYSA-N 0 0 441.409 5.375 40 0 IKABRN O=C(Nc1cccc2ccccc21)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000002753372 568789127 /nfs/dbraw/zinc/78/91/27/568789127.db2.gz XGQRJHNDABGZGI-VQIMIIECSA-N 0 0 442.466 6.010 40 0 IKABRN CCN1c2cc(F)c(F)cc2N[C@@H]2C(C(=O)OC3CCC(C(C)(C)C)CC3)=C(C)O[C@@H]21 ZINC000002795850 568789364 /nfs/dbraw/zinc/78/93/64/568789364.db2.gz XJHWBHNGPXTZCD-HIZRVXGDSA-N 0 0 434.527 5.364 40 0 IKABRN COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002889707 568789563 /nfs/dbraw/zinc/78/95/63/568789563.db2.gz YWDSUIMVZDDKJL-UHFFFAOYSA-N 0 0 436.316 5.769 40 0 IKABRN CCOC(=O)/C=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000062715917 568791740 /nfs/dbraw/zinc/79/17/40/568791740.db2.gz OJIOICMZQMWGQH-CMDGGOBGSA-N 0 0 425.706 5.266 40 0 IKABRN CC[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000006821466 568792120 /nfs/dbraw/zinc/79/21/20/568792120.db2.gz FMHHFDNLURANAG-XHSDSOJGSA-N 0 0 440.897 5.602 40 0 IKABRN Cc1ccc(C(=O)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)N[C@H]2c2ccccc2F)cc1 ZINC000102429804 568792143 /nfs/dbraw/zinc/79/21/43/568792143.db2.gz VMKHXZYXIDXLPX-PKTZIBPZSA-N 0 0 430.479 5.048 40 0 IKABRN O=C(NCc1cc(-c2cccc(Cl)c2)no1)NCc1cc(-c2cccc(Cl)c2)no1 ZINC000066089165 568794975 /nfs/dbraw/zinc/79/49/75/568794975.db2.gz BPHVHBURCOYMEY-UHFFFAOYSA-N 0 0 443.290 5.303 40 0 IKABRN CC(C)(C)OC(=O)CC[C@@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000248165242 568811679 /nfs/dbraw/zinc/81/16/79/568811679.db2.gz NYRSZLHHHLKYST-XMMPIXPASA-N 0 0 445.559 5.143 40 0 IKABRN Cc1ccc(/N=c2\scc(-c3ccc4c(c3)OCCO4)n2C2CCCC2)cc1Cl ZINC000015910643 568858471 /nfs/dbraw/zinc/85/84/71/568858471.db2.gz LLUVMWIKTYTQEW-BZZOAKBMSA-N 0 0 426.969 6.297 40 0 IKABRN CC(C)c1ccccc1NC(=O)CSc1nnc(CSCc2ccc(F)cc2)n1C ZINC000001106003 568859049 /nfs/dbraw/zinc/85/90/49/568859049.db2.gz SWQWTLBLRVRHNA-UHFFFAOYSA-N 0 0 444.601 5.242 40 0 IKABRN CC(C)c1ccc(NC(=O)CSc2nnc(CSCc3ccc(F)cc3)n2C)cc1 ZINC000001106004 568859102 /nfs/dbraw/zinc/85/91/02/568859102.db2.gz CFPVTXBQGLMILS-UHFFFAOYSA-N 0 0 444.601 5.242 40 0 IKABRN O=C(Oc1ccccc1)c1ccc(Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 ZINC000024522869 568860651 /nfs/dbraw/zinc/86/06/51/568860651.db2.gz PYTLOBJFTRGQGY-UHFFFAOYSA-N 0 0 432.479 5.331 40 0 IKABRN COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2Cc2ccc(Cl)cc2)cc1 ZINC000015981494 568861933 /nfs/dbraw/zinc/86/19/33/568861933.db2.gz YJCVYKSVUZFAKI-RWEWTDSWSA-N 0 0 441.383 6.813 40 0 IKABRN OCc1csc(-c2cccc(-c3cccc(-c4cccc5c6ccccc6oc54)c3)c2)n1 ZINC000585090240 568872685 /nfs/dbraw/zinc/87/26/85/568872685.db2.gz RYJPHGLRKDQHOW-UHFFFAOYSA-N 0 0 433.532 7.536 40 0 IKABRN OCc1csc(-c2ccc(-c3cccc(-c4cccc5c6ccccc6oc54)c3)cc2)n1 ZINC000585090208 568872718 /nfs/dbraw/zinc/87/27/18/568872718.db2.gz MRGZMTCBYXAPNO-UHFFFAOYSA-N 0 0 433.532 7.536 40 0 IKABRN Cc1cnc(Nc2cccc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)n2)s1 ZINC000585263400 568873676 /nfs/dbraw/zinc/87/36/76/568873676.db2.gz GRVSDYFYPZOMCA-UHFFFAOYSA-N 0 0 444.963 5.478 40 0 IKABRN Cc1cnc(Nc2ccnc(CC3CCC(N(C)C(=O)C4CCCCC4)CC3)n2)s1 ZINC000585262976 568873830 /nfs/dbraw/zinc/87/38/30/568873830.db2.gz GINIEGPXQHVTQQ-UHFFFAOYSA-N 0 0 427.618 5.125 40 0 IKABRN O=C(Nc1nc([C@H]2CCCN2Cc2ccc(Cl)cn2)cs1)c1cccc(Cl)c1 ZINC000585294420 568874578 /nfs/dbraw/zinc/87/45/78/568874578.db2.gz FBURIZCZZGNDNT-GOSISDBHSA-N 0 0 433.364 5.434 40 0 IKABRN CC[C@H](C)NC(=O)COc1cccc([C@@H]2OC[C@@H](c3ccccc3Cl)C[C@H]2C(C)C)c1 ZINC000585295394 568874708 /nfs/dbraw/zinc/87/47/08/568874708.db2.gz XYDBMXYRMWTJFX-BYHUZDBLSA-N 0 0 444.015 6.151 40 0 IKABRN CCN(CC)C(=O)COc1cccc([C@@H]2OC[C@@H](c3cccc(Cl)c3)C[C@H]2C(C)C)c1 ZINC000585293423 568874771 /nfs/dbraw/zinc/87/47/71/568874771.db2.gz WLLJMFPEUUIUFR-CVJWPJSTSA-N 0 0 444.015 6.105 40 0 IKABRN COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@H](c2ccsc2)N2CCOCC2)cc1 ZINC000001236180 568886346 /nfs/dbraw/zinc/88/63/46/568886346.db2.gz FTUIHSZENVVENA-NRFANRHFSA-N 0 0 442.606 5.109 40 0 IKABRN Cn1c2ccccc2s/c1=N/C(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC000103040176 568891838 /nfs/dbraw/zinc/89/18/38/568891838.db2.gz BIZHCUPRRQNLQM-OCEACIFDSA-N 0 0 444.581 6.161 40 0 IKABRN CCC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)C1 ZINC000103359882 568896084 /nfs/dbraw/zinc/89/60/84/568896084.db2.gz GODSADNWHHFTCY-JDITYXQVSA-N 0 0 439.983 5.496 40 0 IKABRN CC(C)c1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 ZINC000000871692 568897692 /nfs/dbraw/zinc/89/76/92/568897692.db2.gz PHOVBURROUESKW-VWLOTQADSA-N 0 0 441.531 5.630 40 0 IKABRN O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1 ZINC000000804305 568897706 /nfs/dbraw/zinc/89/77/06/568897706.db2.gz ZTLLORPHIKIGIP-UHFFFAOYSA-N 0 0 429.545 5.336 40 0 IKABRN O=C(c1ccncc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000096400843 568899166 /nfs/dbraw/zinc/89/91/66/568899166.db2.gz SEHDOBWHDBZZQU-OAXRCCLXSA-N 0 0 429.470 5.797 40 0 IKABRN CCOc1ccc(/N=c2/scc(-c3ccc(OC(F)F)cc3)n2CCCOC)cc1 ZINC000102962615 568900601 /nfs/dbraw/zinc/90/06/01/568900601.db2.gz DEGYSRRDTSOBHX-YYDJUVGSSA-N 0 0 434.508 5.486 40 0 IKABRN COc1ccccc1OCCCn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000008994116 568905000 /nfs/dbraw/zinc/90/50/00/568905000.db2.gz QZCUPEPFYSXVSF-UHFFFAOYSA-N 0 0 432.520 5.122 40 0 IKABRN COc1cc(S(=O)(=O)Nc2cc(-c3cn4ccc(C)cc4n3)ccc2C)c(C)cc1C ZINC000224137191 568906663 /nfs/dbraw/zinc/90/66/63/568906663.db2.gz HLQZECYPBJCLHN-UHFFFAOYSA-N 0 0 435.549 5.044 40 0 IKABRN Cn1c2ccc(Cl)cc2s/c1=N/C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000105145130 568908356 /nfs/dbraw/zinc/90/83/56/568908356.db2.gz NLENPYKIBCWGBH-YYDJUVGSSA-N 0 0 435.961 5.911 40 0 IKABRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OC[C@@H](C)COc1ccccc1 ZINC000026712822 568908530 /nfs/dbraw/zinc/90/85/30/568908530.db2.gz SKPPWZMHSUYYSZ-VQIMKDEXSA-N 0 0 449.981 5.772 40 0 IKABRN Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C ZINC000001916472 568922505 /nfs/dbraw/zinc/92/25/05/568922505.db2.gz BLGLVJYTPIUQKV-UHFFFAOYSA-N 0 0 428.557 6.420 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Oc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000001917857 568922711 /nfs/dbraw/zinc/92/27/11/568922711.db2.gz VDBCYFBGIHMBKV-UHFFFAOYSA-N 0 0 427.500 5.042 40 0 IKABRN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1cc(C)cc(C)c1 ZINC000001944152 568923702 /nfs/dbraw/zinc/92/37/02/568923702.db2.gz YLKBDHNNEYECDP-UHFFFAOYSA-N 0 0 437.561 5.843 40 0 IKABRN CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(C)c(C)c1 ZINC000045890595 568927760 /nfs/dbraw/zinc/92/77/60/568927760.db2.gz SLTKFYHXFHVPGC-UHFFFAOYSA-N 0 0 440.179 5.534 40 0 IKABRN Cc1cc(-n2cnnc2)cc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1O ZINC000045920623 568927936 /nfs/dbraw/zinc/92/79/36/568927936.db2.gz MSODBPBJJXBVOR-UHFFFAOYSA-N 0 0 447.292 5.519 40 0 IKABRN Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1cccc(Cl)c1 ZINC000045891026 568927942 /nfs/dbraw/zinc/92/79/42/568927942.db2.gz ZASOQIJCBHJZLO-UHFFFAOYSA-N 0 0 432.543 5.316 40 0 IKABRN CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1cccc(C)c1 ZINC000045890921 568927944 /nfs/dbraw/zinc/92/79/44/568927944.db2.gz LHCGKKMFJPHXFY-UHFFFAOYSA-N 0 0 426.152 5.225 40 0 IKABRN CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(Cl)cc1 ZINC000045891040 568927962 /nfs/dbraw/zinc/92/79/62/568927962.db2.gz BTAZPQVTMBMECK-UHFFFAOYSA-N 0 0 446.570 5.570 40 0 IKABRN CCOC(=O)C(C(=O)OCC)C(c1cccc2ccccc21)c1cccc2ccccc21 ZINC000001599997 568952339 /nfs/dbraw/zinc/95/23/39/568952339.db2.gz KFWYQQUZFMMZDN-UHFFFAOYSA-N 0 0 426.512 5.867 40 0 IKABRN O=C(c1cn(C2CCCCC2)c(-c2ccccc2)c1NC1CCCCC1)c1ccccc1 ZINC000001744748 569082711 /nfs/dbraw/zinc/08/27/11/569082711.db2.gz IOTOUGCBJVENNG-UHFFFAOYSA-N 0 0 426.604 7.636 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c1C ZINC000002546457 569097461 /nfs/dbraw/zinc/09/74/61/569097461.db2.gz XKRJOCZTXQEHDJ-QHCPKHFHSA-N 0 0 447.991 6.867 40 0 IKABRN Cc1ccc(S/C(=C/Cl)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000036625364 569126978 /nfs/dbraw/zinc/12/69/78/569126978.db2.gz AMPPSGBDTDFKMW-GXDHUFHOSA-N 0 0 435.039 6.136 40 0 IKABRN CCCC1CCC([C@@H](C)NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000071260642 569150585 /nfs/dbraw/zinc/15/05/85/569150585.db2.gz QGVZRMLLKPOPCV-QNGMFEMESA-N 0 0 426.601 5.344 40 0 IKABRN CCOC(=O)C1=C(C(=O)OCC)[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000004822498 569155524 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IKABRN O=C(Cn1nc(-c2ccc(Cl)cc2)n(-n2cccc2)c1=S)Nc1ccccc1Cl ZINC000016777968 569162016 /nfs/dbraw/zinc/16/20/16/569162016.db2.gz KLXDFPPASGLCDS-UHFFFAOYSA-N 0 0 444.347 5.139 40 0 IKABRN COc1ccc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C(C)(C)C)C3 ZINC000017083547 569172285 /nfs/dbraw/zinc/17/22/85/569172285.db2.gz LRJUYPMKLYBAOY-ADLMAVQZSA-N 0 0 449.414 5.524 40 0 IKABRN CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000006074164 569173165 /nfs/dbraw/zinc/17/31/65/569173165.db2.gz RTBDTLIEYVOJFB-UHFFFAOYSA-N 0 0 435.310 6.664 40 0 IKABRN Cc1cc(NC(=O)c2cccc3c(Br)cccc23)cc(Br)c1O ZINC000226242644 569177866 /nfs/dbraw/zinc/17/78/66/569177866.db2.gz QYKQJMPHHIOCDT-UHFFFAOYSA-N 0 0 435.115 5.631 40 0 IKABRN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cc(Cl)c(OC)c(Cl)c3)nc2c1 ZINC000226283769 569178074 /nfs/dbraw/zinc/17/80/74/569178074.db2.gz QDXDWLRWCFGXDE-UHFFFAOYSA-N 0 0 433.213 5.725 40 0 IKABRN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1 ZINC000226283756 569178095 /nfs/dbraw/zinc/17/80/95/569178095.db2.gz DYMLFPORKKATGK-UHFFFAOYSA-N 0 0 443.219 5.181 40 0 IKABRN COc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)cc(C)c3o2)cc1Br ZINC000226272148 569178101 /nfs/dbraw/zinc/17/81/01/569178101.db2.gz FLNPGXCVJGTCRW-UHFFFAOYSA-N 0 0 443.219 5.099 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)cc1Br ZINC000226272141 569178112 /nfs/dbraw/zinc/17/81/12/569178112.db2.gz MWCFLVCBNNABRH-UHFFFAOYSA-N 0 0 429.192 5.075 40 0 IKABRN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(Cc3ccc(Br)cc3)oc21 ZINC000226271349 569178127 /nfs/dbraw/zinc/17/81/27/569178127.db2.gz DUJHOLUVAQLTRQ-UHFFFAOYSA-N 0 0 427.220 5.015 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2)sc1NC(=O)c1cccc(Cl)c1 ZINC000000871383 569180445 /nfs/dbraw/zinc/18/04/45/569180445.db2.gz UHIAHKMVXIJSFO-UHFFFAOYSA-N 0 0 442.924 5.310 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000000902389 569180450 /nfs/dbraw/zinc/18/04/50/569180450.db2.gz DNJDOOHMGZEJTC-UHFFFAOYSA-N 0 0 434.952 5.627 40 0 IKABRN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000000892187 569180488 /nfs/dbraw/zinc/18/04/88/569180488.db2.gz BETDQCDDJKLLOV-UHFFFAOYSA-N 0 0 442.544 5.176 40 0 IKABRN C[C@H](NC(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)c1ccccc1 ZINC000226574460 569182950 /nfs/dbraw/zinc/18/29/50/569182950.db2.gz MCDMIBHTTQBFAB-CORIIIEPSA-N 0 0 438.837 5.281 40 0 IKABRN COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1 ZINC000169343833 569210068 /nfs/dbraw/zinc/21/00/68/569210068.db2.gz NBNNDUZYMXBCOX-UHFFFAOYSA-N 0 0 431.517 5.875 40 0 IKABRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@@H]21)[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000004028970 569212041 /nfs/dbraw/zinc/21/20/41/569212041.db2.gz DCGMIQMNIOQACA-CSAIHQNMSA-N 0 0 426.597 5.149 40 0 IKABRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000000711899 569212189 /nfs/dbraw/zinc/21/21/89/569212189.db2.gz BRIOINWOBOGTMV-SSVHHLKVSA-N 0 0 437.926 5.764 40 0 IKABRN 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ZINC000033251357 569217646 /nfs/dbraw/zinc/21/76/46/569217646.db2.gz ZZBZOCXMLHUEHQ-UHFFFAOYSA-N 0 0 431.926 5.288 40 0 IKABRN CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C ZINC000004521458 569218487 /nfs/dbraw/zinc/21/84/87/569218487.db2.gz NJICGAVMYWKCMW-HCCQZQLGSA-N 0 0 442.728 7.738 40 0 IKABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)c1 ZINC000006386557 569218539 /nfs/dbraw/zinc/21/85/39/569218539.db2.gz RAXBOMADBJEYQB-INIZCTEOSA-N 0 0 427.570 5.119 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(Cl)c1N1CCCCC1 ZINC000006547967 569218541 /nfs/dbraw/zinc/21/85/41/569218541.db2.gz SKKOTEVSKXGXTK-UHFFFAOYSA-N 0 0 426.988 6.396 40 0 IKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)CCCC)c2)cc1 ZINC000006386539 569218572 /nfs/dbraw/zinc/21/85/72/569218572.db2.gz LIDGQIPWEXVKDI-UHFFFAOYSA-N 0 0 427.570 5.121 40 0 IKABRN CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccc1 ZINC000006226050 569218601 /nfs/dbraw/zinc/21/86/01/569218601.db2.gz LEQKFIOSBHONRV-UHFFFAOYSA-N 0 0 426.630 5.551 40 0 IKABRN Cc1cccc(C)c1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O ZINC000007929452 569218893 /nfs/dbraw/zinc/21/88/93/569218893.db2.gz NBRCWVTYHNQMRC-NRFANRHFSA-N 0 0 427.544 5.588 40 0 IKABRN O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000009062195 569219432 /nfs/dbraw/zinc/21/94/32/569219432.db2.gz FLTRBCYXLQTDAH-FOCLMDBBSA-N 0 0 426.501 5.109 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4ccc(C)cc4)c3)s2)cc1 ZINC000009062316 569219443 /nfs/dbraw/zinc/21/94/43/569219443.db2.gz VLBJMVSRCXSTQR-UHFFFAOYSA-N 0 0 444.516 5.027 40 0 IKABRN O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1)c1cc2ccccc2o1 ZINC000009062155 569219462 /nfs/dbraw/zinc/21/94/62/569219462.db2.gz IRMRYPCBKIFGOF-UHFFFAOYSA-N 0 0 440.484 5.456 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)s2)cc1 ZINC000009062352 569219520 /nfs/dbraw/zinc/21/95/20/569219520.db2.gz JJSLSNGSBOAEMK-UHFFFAOYSA-N 0 0 436.345 5.988 40 0 IKABRN CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl ZINC000009848359 569220064 /nfs/dbraw/zinc/22/00/64/569220064.db2.gz JSZUMIQDTMJTQL-BLLLJJGKSA-N 0 0 427.401 5.059 40 0 IKABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000009665753 569220116 /nfs/dbraw/zinc/22/01/16/569220116.db2.gz JCXUYXNRSYZDLT-UHFFFAOYSA-N 0 0 435.380 5.317 40 0 IKABRN COc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000010041671 569220879 /nfs/dbraw/zinc/22/08/79/569220879.db2.gz BLVOKSYYSRUUMY-JOCHJYFZSA-N 0 0 440.879 5.147 40 0 IKABRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000010127540 569221470 /nfs/dbraw/zinc/22/14/70/569221470.db2.gz CLUNOTNNODFYEN-OZZUTDSSSA-N 0 0 440.628 6.032 40 0 IKABRN O=C(NCCSCc1ccccc1F)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000010280395 569222001 /nfs/dbraw/zinc/22/20/01/569222001.db2.gz WYINDTGJXNEOMQ-LTGZKZEYSA-N 0 0 425.956 6.069 40 0 IKABRN Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010314794 569222524 /nfs/dbraw/zinc/22/25/24/569222524.db2.gz HVKIECMOJXKRNS-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2C)cc1 ZINC000010314417 569222532 /nfs/dbraw/zinc/22/25/32/569222532.db2.gz UYQAELMXZLXTBU-UHFFFAOYSA-N 0 0 438.549 5.144 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2C)cc1 ZINC000010314874 569222734 /nfs/dbraw/zinc/22/27/34/569222734.db2.gz PSZGCSMNYYEBPR-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010326288 569223039 /nfs/dbraw/zinc/22/30/39/569223039.db2.gz KLGZOGGBKVFUAT-SFHVURJKSA-N 0 0 448.588 5.204 40 0 IKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(C)c4C)cc3C[C@@H]2C)cc1 ZINC000010326561 569223160 /nfs/dbraw/zinc/22/31/60/569223160.db2.gz CTMGWNKGNOQHPU-SFHVURJKSA-N 0 0 434.561 5.004 40 0 IKABRN CSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000010327864 569223183 /nfs/dbraw/zinc/22/31/83/569223183.db2.gz LISRLKJNWBAOFY-UHFFFAOYSA-N 0 0 426.563 5.078 40 0 IKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000010331355 569223288 /nfs/dbraw/zinc/22/32/88/569223288.db2.gz RIWOSMODRLUAIO-UHFFFAOYSA-N 0 0 446.931 5.006 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2C)cc1 ZINC000010333060 569223419 /nfs/dbraw/zinc/22/34/19/569223419.db2.gz BWOPHFPVXIQPJU-UHFFFAOYSA-N 0 0 448.466 5.375 40 0 IKABRN Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000010335737 569223539 /nfs/dbraw/zinc/22/35/39/569223539.db2.gz UIIRXEPVANZOHJ-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000010337729 569223553 /nfs/dbraw/zinc/22/35/53/569223553.db2.gz DJXFRAOIYWULTR-UHFFFAOYSA-N 0 0 442.968 5.275 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 ZINC000010360541 569223692 /nfs/dbraw/zinc/22/36/92/569223692.db2.gz ZZZPBPBBMBAAAD-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000010358510 569223739 /nfs/dbraw/zinc/22/37/39/569223739.db2.gz LSJIYZVAYPZQSD-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O ZINC000010359205 569223784 /nfs/dbraw/zinc/22/37/84/569223784.db2.gz DUNFCVAIYIYULN-UHFFFAOYSA-N 0 0 437.005 5.265 40 0 IKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000010364453 569223814 /nfs/dbraw/zinc/22/38/14/569223814.db2.gz HBZFZCRNQHBYKS-UHFFFAOYSA-N 0 0 449.359 5.033 40 0 IKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000010368446 569223963 /nfs/dbraw/zinc/22/39/63/569223963.db2.gz BMEWRAWADHUHET-UHFFFAOYSA-N 0 0 448.519 5.197 40 0 IKABRN O=C(NCCSCc1c(F)cccc1Cl)c1ccccc1SCc1ccccc1 ZINC000010367224 569223973 /nfs/dbraw/zinc/22/39/73/569223973.db2.gz WZWWMZFHKSKJKU-UHFFFAOYSA-N 0 0 446.012 6.435 40 0 IKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000010366771 569224024 /nfs/dbraw/zinc/22/40/24/569224024.db2.gz PCQAWOLMBOZLRZ-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010369619 569224095 /nfs/dbraw/zinc/22/40/95/569224095.db2.gz DDAHRLGPAWMDSJ-UHFFFAOYSA-N 0 0 426.563 5.078 40 0 IKABRN O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1SCc1ccccc1 ZINC000010371410 569224190 /nfs/dbraw/zinc/22/41/90/569224190.db2.gz DGYHBCQOSWSKNB-UHFFFAOYSA-N 0 0 432.770 6.647 40 0 IKABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)cc1 ZINC000011197329 569224614 /nfs/dbraw/zinc/22/46/14/569224614.db2.gz VTCABZRFSKJYFQ-UHFFFAOYSA-N 0 0 444.560 5.372 40 0 IKABRN Cc1ccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C(C)(C)C)N4)C2)cc1 ZINC000012160701 569224778 /nfs/dbraw/zinc/22/47/78/569224778.db2.gz CKRQYAJBMKDSML-IHPCNDPISA-N 0 0 448.533 5.084 40 0 IKABRN CC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C[C@H]1C ZINC000014607262 569225099 /nfs/dbraw/zinc/22/50/99/569225099.db2.gz VRFXGUPNMCVBFM-KBMIEXCESA-N 0 0 434.561 5.077 40 0 IKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000015226965 569225383 /nfs/dbraw/zinc/22/53/83/569225383.db2.gz JUXJKVNZRXVILL-YVLHZVERSA-N 0 0 448.338 5.011 40 0 IKABRN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000017648594 569225996 /nfs/dbraw/zinc/22/59/96/569225996.db2.gz HZUJGKBJNSBMPZ-KBKYJPHKSA-N 0 0 446.385 5.042 40 0 IKABRN O=C(Nc1cccc2ccccc21)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000019677074 569227433 /nfs/dbraw/zinc/22/74/33/569227433.db2.gz GXDNDGMFGAIDKO-UHFFFAOYSA-N 0 0 437.337 5.093 40 0 IKABRN CCOCc1ccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)cc1 ZINC000019690987 569227584 /nfs/dbraw/zinc/22/75/84/569227584.db2.gz ZNOYDKQPPIDESN-UHFFFAOYSA-N 0 0 444.575 5.622 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)[C@@H]3OCCc4ccccc43)c2)cc1 ZINC000019690698 569227586 /nfs/dbraw/zinc/22/75/86/569227586.db2.gz FKCOCCHRXLPCSI-CLJLJLNGSA-N 0 0 428.532 5.043 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3cc(C)ccc3OC)c2)cc1 ZINC000019690665 569227588 /nfs/dbraw/zinc/22/75/88/569227588.db2.gz UTGCRCYSGXOTTR-VWLOTQADSA-N 0 0 430.548 5.289 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3nc4cc(F)ccc4[nH]3)c2)cc1 ZINC000019690658 569227603 /nfs/dbraw/zinc/22/76/03/569227603.db2.gz QCHMHRGXAIOTJK-HSZRJFAPSA-N 0 0 430.483 5.058 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)n1 ZINC000019691208 569227697 /nfs/dbraw/zinc/22/76/97/569227697.db2.gz QTXHNEOOJQQCNF-UHFFFAOYSA-N 0 0 434.559 5.247 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)OCCCO3)n1 ZINC000019691274 569227703 /nfs/dbraw/zinc/22/77/03/569227703.db2.gz UVWHUYCMGMWTCM-XMMPIXPASA-N 0 0 446.522 5.264 40 0 IKABRN COc1ccc(-c2cc(C)nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)c2)cc1 ZINC000019691089 569227712 /nfs/dbraw/zinc/22/77/12/569227712.db2.gz LPQVTCSWJYQAEV-UHFFFAOYSA-N 0 0 439.559 5.496 40 0 IKABRN CCOCc1ccc(C(=O)N2CCC(c3cc(-c4ccc(OC)cc4)cc(C)n3)CC2)cc1 ZINC000019691086 569227717 /nfs/dbraw/zinc/22/77/17/569227717.db2.gz AEQAYGAYOKVEJR-UHFFFAOYSA-N 0 0 444.575 5.622 40 0 IKABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1OC ZINC000019691497 569227822 /nfs/dbraw/zinc/22/78/22/569227822.db2.gz NTLWKXQOCXUOGF-HSZRJFAPSA-N 0 0 434.511 5.120 40 0 IKABRN Cc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 ZINC000019692259 569227825 /nfs/dbraw/zinc/22/78/25/569227825.db2.gz YUNMICOYAXNELP-VWLOTQADSA-N 0 0 439.003 5.294 40 0 IKABRN Cc1ccc2oc(C(=O)N3CC[C@@H](c4nc(N(C)C)ncc4-c4cccc(F)c4)C3)cc2c1 ZINC000019695090 569229647 /nfs/dbraw/zinc/22/96/47/569229647.db2.gz XMVHLYNBHMSZKI-GOSISDBHSA-N 0 0 444.510 5.033 40 0 IKABRN Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(C(=O)C3CCCC3)CC2)c1 ZINC000019700401 569231148 /nfs/dbraw/zinc/23/11/48/569231148.db2.gz SUYHNOGEZNHGOI-UHFFFAOYSA-N 0 0 446.635 5.528 40 0 IKABRN CCN(C(=O)c1ccn(CC)n1)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 ZINC000019711913 569235021 /nfs/dbraw/zinc/23/50/21/569235021.db2.gz PHNNXVXCZCHVEK-GBXCKJPGSA-N 0 0 439.506 5.231 40 0 IKABRN CCN(C(=O)c1cnn(C)c1C)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 ZINC000019711970 569235109 /nfs/dbraw/zinc/23/51/09/569235109.db2.gz HBLITQKVMHXDDK-LADGPHEKSA-N 0 0 439.506 5.056 40 0 IKABRN CCN(C(=O)c1scnc1C)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 ZINC000019712008 569235233 /nfs/dbraw/zinc/23/52/33/569235233.db2.gz CEUBCDXCORPJPD-FCHUYYIVSA-N 0 0 442.531 5.779 40 0 IKABRN Cc1nc([C@@H]2CCCCN2Cc2cccc3ncccc23)ncc1C(=O)Nc1ccccc1 ZINC000019755774 569236842 /nfs/dbraw/zinc/23/68/42/569236842.db2.gz MKTLIYMYMZJBGZ-VWLOTQADSA-N 0 0 437.547 5.313 40 0 IKABRN COc1ccccc1N1CCN(C(=O)c2ccc(CSCc3ccccc3)cc2)CC1 ZINC000020238892 569241003 /nfs/dbraw/zinc/24/10/03/569241003.db2.gz RIXCKUIBOZQSDV-UHFFFAOYSA-N 0 0 432.589 5.091 40 0 IKABRN O=C(CSCc1cccc(Br)c1)NCCSCc1ccc(Cl)cc1 ZINC000020238280 569241028 /nfs/dbraw/zinc/24/10/28/569241028.db2.gz MBYXDXDNIOIAAM-UHFFFAOYSA-N 0 0 444.847 5.385 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000020239780 569241119 /nfs/dbraw/zinc/24/11/19/569241119.db2.gz NSVLWHFUCASAKX-XMMPIXPASA-N 0 0 436.964 5.675 40 0 IKABRN Cc1cc(NC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1Br ZINC000020238989 569241262 /nfs/dbraw/zinc/24/12/62/569241262.db2.gz JQKWKVXXWCWVDY-UHFFFAOYSA-N 0 0 426.379 6.443 40 0 IKABRN O=C(CSc1n[nH]c(COc2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1Cl ZINC000021112825 569241484 /nfs/dbraw/zinc/24/14/84/569241484.db2.gz WUKQXKUPLYGWMM-UHFFFAOYSA-N 0 0 443.743 5.075 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)c(C)c1 ZINC000024672926 569241878 /nfs/dbraw/zinc/24/18/78/569241878.db2.gz DGKYJRRPQFLFNI-UHFFFAOYSA-N 0 0 443.576 5.294 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118211 569242528 /nfs/dbraw/zinc/24/25/28/569242528.db2.gz LPZRLGAOENWWGM-UHFFFAOYSA-N 0 0 446.638 5.205 40 0 IKABRN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc4ccccc43)ccc2N1C(=O)c1ccccc1 ZINC000028206878 569242652 /nfs/dbraw/zinc/24/26/52/569242652.db2.gz BDLDQNYZESTBMG-GOSISDBHSA-N 0 0 442.540 5.232 40 0 IKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CSc2ccccc2)cc1 ZINC000027918364 569242654 /nfs/dbraw/zinc/24/26/54/569242654.db2.gz KTECVDLYWVLROO-UHFFFAOYSA-N 0 0 430.573 5.857 40 0 IKABRN CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000028206681 569242666 /nfs/dbraw/zinc/24/26/66/569242666.db2.gz KIMIGAZQUARLBT-UHFFFAOYSA-N 0 0 434.561 5.033 40 0 IKABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000028206928 569242750 /nfs/dbraw/zinc/24/27/50/569242750.db2.gz XREYFOITZGSADG-MRXNPFEDSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1Cl ZINC000028206939 569242758 /nfs/dbraw/zinc/24/27/58/569242758.db2.gz IEZKVPNQGLSJJY-MRXNPFEDSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1sc2nc(SCC(=O)N(C(C)C)C(C)C)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000028807576 569243309 /nfs/dbraw/zinc/24/33/09/569243309.db2.gz IBTKEYJGCLVGLJ-UHFFFAOYSA-N 0 0 443.638 5.110 40 0 IKABRN CCOc1ccc(N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000028579250 569243355 /nfs/dbraw/zinc/24/33/55/569243355.db2.gz BAZTWQKUSCEFGM-UHFFFAOYSA-N 0 0 446.366 5.243 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-c2ccccc2)c1 ZINC000032685726 569243545 /nfs/dbraw/zinc/24/35/45/569243545.db2.gz IRVDSBKFSYAZIC-UHFFFAOYSA-N 0 0 428.561 5.590 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-c2ccccc2)c1 ZINC000032685823 569243558 /nfs/dbraw/zinc/24/35/58/569243558.db2.gz XUBUGIFNTSMLPE-UHFFFAOYSA-N 0 0 428.561 5.590 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)c1 ZINC000032691915 569243567 /nfs/dbraw/zinc/24/35/67/569243567.db2.gz BDZBUIUMCJCEFB-UHFFFAOYSA-N 0 0 438.336 5.303 40 0 IKABRN CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCc1ccc(C)cc1 ZINC000033392155 569243807 /nfs/dbraw/zinc/24/38/07/569243807.db2.gz CBZGQSDSIPBFJD-UHFFFAOYSA-N 0 0 435.380 5.136 40 0 IKABRN Cc1ccc(CSc2nnc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)cc1 ZINC000033403973 569243859 /nfs/dbraw/zinc/24/38/59/569243859.db2.gz LZNXQKDRPBTFRK-LJQANCHMSA-N 0 0 428.989 5.196 40 0 IKABRN Clc1ccccc1N1[C@H](n2nnc3ccccc32)CCC[C@H]1n1nnc2ccccc21 ZINC000033413356 569243955 /nfs/dbraw/zinc/24/39/55/569243955.db2.gz MTIZOFGVMJWOLE-DHIUTWEWSA-N 0 0 429.915 5.217 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c1 ZINC000033423782 569243971 /nfs/dbraw/zinc/24/39/71/569243971.db2.gz WRCQDPVSUPKEMV-UHFFFAOYSA-N 0 0 436.577 5.788 40 0 IKABRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000033409253 569244008 /nfs/dbraw/zinc/24/40/08/569244008.db2.gz FFDQWAANVJMDKT-UHFFFAOYSA-N 0 0 439.795 7.104 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5cccc(F)c5)nc4c3)o2)cc1C ZINC000033407564 569244011 /nfs/dbraw/zinc/24/40/11/569244011.db2.gz BWZWJCOCXIDFAF-UHFFFAOYSA-N 0 0 426.447 6.763 40 0 IKABRN Clc1ccc(COc2c(Cl)cc(CNc3cccc(Cl)c3)cc2Cl)cc1 ZINC000033422642 569244012 /nfs/dbraw/zinc/24/40/12/569244012.db2.gz UZQWPYKRKKNIPS-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN CCc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000033413476 569244020 /nfs/dbraw/zinc/24/40/20/569244020.db2.gz HDKFESBXPQIBMC-UHFFFAOYSA-N 0 0 442.968 5.045 40 0 IKABRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)c3)oc2c(C)c1 ZINC000033458824 569244113 /nfs/dbraw/zinc/24/41/13/569244113.db2.gz AUNRQRXQYWYXIV-UHFFFAOYSA-N 0 0 436.511 7.241 40 0 IKABRN CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000033454222 569244140 /nfs/dbraw/zinc/24/41/40/569244140.db2.gz PGVQEJPRHXGNGA-UHFFFAOYSA-N 0 0 438.380 5.793 40 0 IKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(Cl)c1N1CCCCC1 ZINC000033519380 569244430 /nfs/dbraw/zinc/24/44/30/569244430.db2.gz QZPSAMHIGWZPFY-DHZHZOJOSA-N 0 0 449.776 5.753 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1Cl ZINC000033570980 569244510 /nfs/dbraw/zinc/24/45/10/569244510.db2.gz RVTAHECXXXDXRS-UHFFFAOYSA-N 0 0 449.765 6.585 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1OCC ZINC000033553359 569244532 /nfs/dbraw/zinc/24/45/32/569244532.db2.gz PMNHIVOWEYNGJN-UHFFFAOYSA-N 0 0 439.293 5.121 40 0 IKABRN CCOc1c(Br)cc(C(=O)Nc2ccccc2)cc1OCc1ccccc1 ZINC000033573856 569244693 /nfs/dbraw/zinc/24/46/93/569244693.db2.gz 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CCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCc1ccccc1 ZINC000035168463 569248356 /nfs/dbraw/zinc/24/83/56/569248356.db2.gz CBHKBANODGVDNL-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN Clc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1 ZINC000035146138 569248375 /nfs/dbraw/zinc/24/83/75/569248375.db2.gz JYYAPAQSLFJFFL-UHFFFAOYSA-N 0 0 446.790 7.187 40 0 IKABRN CCCN(CCC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000035172770 569248379 /nfs/dbraw/zinc/24/83/79/569248379.db2.gz VNDCETFBKKPJKE-UHFFFAOYSA-N 0 0 428.989 5.328 40 0 IKABRN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035167911 569248394 /nfs/dbraw/zinc/24/83/94/569248394.db2.gz NMCCIZCPGSXTOS-UHFFFAOYSA-N 0 0 425.400 5.915 40 0 IKABRN COc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000035168827 569248398 /nfs/dbraw/zinc/24/83/98/569248398.db2.gz JOJKUGVCCPAHTI-UHFFFAOYSA-N 0 0 430.331 6.450 40 0 IKABRN CCOC(=O)c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1-c1ccc(C)cc1 ZINC000035153081 569248406 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/nfs/dbraw/zinc/36/24/84/569362484.db2.gz FFKWLASPGPRHGO-UHFFFAOYSA-N 0 0 449.000 6.722 40 0 IKABRN Cc1cccc(-c2sc(=S)n3c2n(Cc2cccc(Cl)c2)c(=O)c2ccccc23)c1 ZINC000020378642 569362553 /nfs/dbraw/zinc/36/25/53/569362553.db2.gz SGNXNDATNRSELV-UHFFFAOYSA-N 0 0 449.000 6.722 40 0 IKABRN Cc1ccccc1-c1sc(=S)n2c1n(Cc1ccccc1F)c(=O)c1ccccc12 ZINC000020378736 569362555 /nfs/dbraw/zinc/36/25/55/569362555.db2.gz WGALRMMSHPIJFL-UHFFFAOYSA-N 0 0 432.545 6.208 40 0 IKABRN Fc1ccc(-c2ccc(/C=C/c3nn4c(nnc4-c4cc5ccccc5o4)s3)o2)cc1 ZINC000096193973 569386196 /nfs/dbraw/zinc/38/61/96/569386196.db2.gz DHZATEPSKHZHJV-ZRDIBKRKSA-N 0 0 428.448 6.169 40 0 IKABRN CC(C)(C)c1cc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc(C(C)(C)C)c1 ZINC000096193784 569386225 /nfs/dbraw/zinc/38/62/25/569386225.db2.gz DLAZFKJERGWDCP-UHFFFAOYSA-N 0 0 430.577 6.861 40 0 IKABRN Cc1c2ccccc2oc1-c1nnc2sc(Cc3ccc(Oc4ccccc4)cc3)nn21 ZINC000096194267 569386230 /nfs/dbraw/zinc/38/62/30/569386230.db2.gz IPBPYOJBJQJUJZ-UHFFFAOYSA-N 0 0 438.512 6.291 40 0 IKABRN C[C@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@]1(C)C[C@H](Cc1ccccc1)[C@H]2O ZINC000242495353 569396295 /nfs/dbraw/zinc/39/62/95/569396295.db2.gz GCLTXTVXGOMTNM-LTMFJCOOSA-N 0 0 438.696 6.780 40 0 IKABRN Cc1cc(Br)cc(C)c1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000028284389 569409506 /nfs/dbraw/zinc/40/95/06/569409506.db2.gz PMKSXHGFEIPNHK-UHFFFAOYSA-N 0 0 436.655 5.756 40 0 IKABRN COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc(C)c1-c1cccc(Cl)c1 ZINC000028284447 569409512 /nfs/dbraw/zinc/40/95/12/569409512.db2.gz LSYQLOHVCSMVPW-UHFFFAOYSA-N 0 0 443.952 5.798 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(Cl)cc1 ZINC000028526983 569410605 /nfs/dbraw/zinc/41/06/05/569410605.db2.gz JRFCKPFKVCUAQS-UHFFFAOYSA-N 0 0 430.339 5.550 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 ZINC000028527647 569410699 /nfs/dbraw/zinc/41/06/99/569410699.db2.gz BWUORDMCNAHOOF-UHFFFAOYSA-N 0 0 448.329 5.689 40 0 IKABRN CCOc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1cccc(Cl)c1 ZINC000028527862 569410731 /nfs/dbraw/zinc/41/07/31/569410731.db2.gz VEQBDDBIUNHHFT-UHFFFAOYSA-N 0 0 439.947 5.295 40 0 IKABRN Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1C(=O)c1ccc(F)cc1 ZINC000028535297 569410907 /nfs/dbraw/zinc/41/09/07/569410907.db2.gz ZPVRMRQPPIKJRJ-UHFFFAOYSA-N 0 0 441.384 5.322 40 0 IKABRN COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cc(Cl)ccc2C)c1 ZINC000028534863 569410933 /nfs/dbraw/zinc/41/09/33/569410933.db2.gz ZEHBMFOUGIVSRO-UHFFFAOYSA-N 0 0 439.947 5.214 40 0 IKABRN COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)cc1Cl ZINC000028535299 569410965 /nfs/dbraw/zinc/41/09/65/569410965.db2.gz GANVSFTYBYGPMQ-UHFFFAOYSA-N 0 0 439.947 5.214 40 0 IKABRN CCc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000002799262 569422302 /nfs/dbraw/zinc/42/23/02/569422302.db2.gz YWGUSKVCTFZTCL-CQSZACIVSA-N 0 0 431.483 5.844 40 0 IKABRN O=c1[nH]c2c(s1)[C@H]1c3cc(Cl)ccc3OC(=O)[C@@H]1[C@@H](c1ccc(Cl)cc1)S2 ZINC000226807652 569429457 /nfs/dbraw/zinc/42/94/57/569429457.db2.gz JPPPXYICMMZYFE-SOUVJXGZSA-N 0 0 436.341 5.257 40 0 IKABRN Cc1nc2ccccn2c1-c1nnc2sc(Cc3ccc(Oc4ccccc4)cc3)nn21 ZINC000227143293 569431552 /nfs/dbraw/zinc/43/15/52/569431552.db2.gz ORBMESYZNMXEOM-UHFFFAOYSA-N 0 0 438.516 5.192 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3Cl)oc2c1 ZINC000003030093 569436841 /nfs/dbraw/zinc/43/68/41/569436841.db2.gz XOIMNWOBBCPXKO-UHFFFAOYSA-N 0 0 431.706 7.016 40 0 IKABRN CN(C)c1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000003093626 569440082 /nfs/dbraw/zinc/44/00/82/569440082.db2.gz MRUAHXCZYUISKC-UHFFFAOYSA-N 0 0 444.538 6.282 40 0 IKABRN CCOC(=O)c1sc(NC(=O)Nc2cccc3ccccc32)c(C(=O)OCC)c1C ZINC000003098825 569440163 /nfs/dbraw/zinc/44/01/63/569440163.db2.gz DRTDPSLNPLAFRI-UHFFFAOYSA-N 0 0 426.494 5.207 40 0 IKABRN CC(=O)c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 ZINC000003139313 569440772 /nfs/dbraw/zinc/44/07/72/569440772.db2.gz SKBPWSSDXIMBBL-UHFFFAOYSA-N 0 0 445.316 6.568 40 0 IKABRN O=C(N[C@H](C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1F ZINC000003146997 569440903 /nfs/dbraw/zinc/44/09/03/569440903.db2.gz FCJGZSWHPVMAOC-SANMLTNESA-N 0 0 438.502 5.203 40 0 IKABRN Cc1cc(C)c(/C(=C/C(c2ccccc2)c2ccccc2)OC(=O)c2ccccc2)c(C)c1 ZINC000003146778 569440907 /nfs/dbraw/zinc/44/09/07/569440907.db2.gz HJODASJLDVQJPA-ANYBSYGZSA-N 0 0 432.563 7.642 40 0 IKABRN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1)CCCC3 ZINC000003270678 569443607 /nfs/dbraw/zinc/44/36/07/569443607.db2.gz SOUFCTPSBUQTJF-UHFFFAOYSA-N 0 0 438.405 5.916 40 0 IKABRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)Oc1ccccc1 ZINC000003663226 569456002 /nfs/dbraw/zinc/45/60/02/569456002.db2.gz XKQHKPHKORTDTL-OAQYLSRUSA-N 0 0 443.528 5.149 40 0 IKABRN C[C@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@]1(C)C[C@@H](Cc1ccncc1)[C@H]2O ZINC000242722989 569462118 /nfs/dbraw/zinc/46/21/18/569462118.db2.gz YAVJNCRQEPHRIC-HMWHCUKNSA-N 0 0 439.684 6.175 40 0 IKABRN C[C@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@]1(C)C[C@@H](Cc1ccccn1)[C@H]2O ZINC000242688056 569462138 /nfs/dbraw/zinc/46/21/38/569462138.db2.gz VEFILIWPFIZDGV-GKKXXUTDSA-N 0 0 439.684 6.175 40 0 IKABRN O=C(Nc1ccc(F)cc1)c1cc2c(cc(-c3ccc(F)cc3)nc2-c2cccs2)s1 ZINC000008742325 569472929 /nfs/dbraw/zinc/47/29/29/569472929.db2.gz PHJQCKZHZWODCC-UHFFFAOYSA-N 0 0 448.519 7.222 40 0 IKABRN Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000041076843 569526537 /nfs/dbraw/zinc/52/65/37/569526537.db2.gz UDEIRLLMVSPZAV-UHFFFAOYSA-N 0 0 429.589 6.247 40 0 IKABRN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000041076876 569526538 /nfs/dbraw/zinc/52/65/38/569526538.db2.gz DOXXTSWYPWQTGQ-UHFFFAOYSA-N 0 0 425.916 5.608 40 0 IKABRN Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000041076844 569526551 /nfs/dbraw/zinc/52/65/51/569526551.db2.gz AZZQAVHXUCDGFG-UHFFFAOYSA-N 0 0 439.943 5.916 40 0 IKABRN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)NCc1ccc(Cl)cc1 ZINC000041076878 569526573 /nfs/dbraw/zinc/52/65/73/569526573.db2.gz YLWHIKOTMYKNSB-UHFFFAOYSA-N 0 0 439.943 5.286 40 0 IKABRN CC(C)(C)Nc1nc(NCc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329021754 569582912 /nfs/dbraw/zinc/58/29/12/569582912.db2.gz OIPLPSMUVOGRAG-UHFFFAOYSA-N 0 0 434.437 6.004 40 0 IKABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(NCc3ccccc3Br)n2)c1 ZINC000329037522 569582986 /nfs/dbraw/zinc/58/29/86/569582986.db2.gz ROBGXTXEXMIGTD-UHFFFAOYSA-N 0 0 442.666 6.190 40 0 IKABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(Nc3ccccc3Br)n2)c1 ZINC000329021318 569582999 /nfs/dbraw/zinc/58/29/99/569582999.db2.gz OFZGEBWQKGEIIW-UHFFFAOYSA-N 0 0 428.639 6.322 40 0 IKABRN CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329018899 569583029 /nfs/dbraw/zinc/58/30/29/569583029.db2.gz NTLIJMUGSJAKQS-UHFFFAOYSA-N 0 0 437.853 6.045 40 0 IKABRN Cc1cc(Br)ccc1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000328955846 569583182 /nfs/dbraw/zinc/58/31/82/569583182.db2.gz ACVZCSDSCNNVFS-UHFFFAOYSA-N 0 0 438.373 6.098 40 0 IKABRN Cc1c(Br)cccc1Nc1cc(Cl)nc(-c2cccc(C(F)(F)F)c2)n1 ZINC000328997317 569583135 /nfs/dbraw/zinc/58/31/35/569583135.db2.gz JOTDJOVWDNKYQI-UHFFFAOYSA-N 0 0 442.666 6.630 40 0 IKABRN CC(C)OC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc4ccccc43)sc2c1 ZINC000020411909 569583136 /nfs/dbraw/zinc/58/31/36/569583136.db2.gz YQOQTLYSBIUYKX-UHFFFAOYSA-N 0 0 449.557 5.142 40 0 IKABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2ccncc2)nc(NC(C)(C)C)n1 ZINC000329030346 569583195 /nfs/dbraw/zinc/58/31/95/569583195.db2.gz QDDQYTAKRBGXLC-UHFFFAOYSA-N 0 0 426.362 5.872 40 0 IKABRN CNc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328999996 569583456 /nfs/dbraw/zinc/58/34/56/569583456.db2.gz JYDIIFCRUGIILZ-UHFFFAOYSA-N 0 0 444.244 5.830 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccc(C(C)C)cc3)sc2c1 ZINC000032118682 569583641 /nfs/dbraw/zinc/58/36/41/569583641.db2.gz KDYGUBSIUUIFFM-UHFFFAOYSA-N 0 0 441.622 5.654 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(O[C@@H](C)CC)c3)sc2c1 ZINC000032118971 569583691 /nfs/dbraw/zinc/58/36/91/569583691.db2.gz LLXZAMXQCFQGLW-HNNXBMFYSA-N 0 0 441.622 5.943 40 0 IKABRN CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966925 569583966 /nfs/dbraw/zinc/58/39/66/569583966.db2.gz COVSWFCNZROZRZ-UHFFFAOYSA-N 0 0 430.474 6.515 40 0 IKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)ccc1F ZINC000329011496 569584012 /nfs/dbraw/zinc/58/40/12/569584012.db2.gz MFSAUTIJVTVBRT-UHFFFAOYSA-N 0 0 446.448 6.588 40 0 IKABRN Cc1cc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)ccc1Br ZINC000328978839 569584014 /nfs/dbraw/zinc/58/40/14/569584014.db2.gz GCPJKGSYOSSJTR-UHFFFAOYSA-N 0 0 429.284 6.055 40 0 IKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1 ZINC000329002175 569584075 /nfs/dbraw/zinc/58/40/75/569584075.db2.gz KGEZWARHJBUFOH-UHFFFAOYSA-N 0 0 429.446 5.844 40 0 IKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cc1F ZINC000328961910 569584244 /nfs/dbraw/zinc/58/42/44/569584244.db2.gz BEOWQKWZRYDKMB-UHFFFAOYSA-N 0 0 434.437 6.444 40 0 IKABRN COc1ccc(-c2csc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000033616437 569584408 /nfs/dbraw/zinc/58/44/08/569584408.db2.gz VVRMDWFZMWQOKU-UHFFFAOYSA-N 0 0 438.361 5.252 40 0 IKABRN CCOc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](C)CC)n2)cc1 ZINC000328984910 569584571 /nfs/dbraw/zinc/58/45/71/569584571.db2.gz HQMHBSONPQAJAY-OAHLLOKOSA-N 0 0 446.473 6.395 40 0 IKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329049053 569584620 /nfs/dbraw/zinc/58/46/20/569584620.db2.gz UNEYXQMGQSOQQE-CYBMUJFWSA-N 0 0 436.865 6.650 40 0 IKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4Cc5nc(N)sc5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000008616515 569585096 /nfs/dbraw/zinc/58/50/96/569585096.db2.gz LTSUMDUBQDQHJC-SJKNLDGCSA-N 0 0 442.757 7.761 40 0 IKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4Cc5nc(N)sc5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000008616514 569585137 /nfs/dbraw/zinc/58/51/37/569585137.db2.gz LTSUMDUBQDQHJC-FSAZTEAOSA-N 0 0 442.757 7.761 40 0 IKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000064453567 574415361 /nfs/dbraw/zinc/41/53/61/574415361.db2.gz VGSSUFQMXBFFTM-METNKUIYSA-N 0 0 448.732 6.190 40 0 endogenous,in-man IKABRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000003881330 290690881 /nfs/dbraw/zinc/69/08/81/290690881.db2.gz CAHGCLMLTWQZNJ-NFIHCTFXSA-N 0 0 426.729 8.479 40 0 biogenic IKABRN CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@@H](C2C(=O)NC=C(c3ccc(O)cc3)C2=O)CC[C@H]1C ZINC000257651043 291389798 /nfs/dbraw/zinc/38/97/98/291389798.db2.gz YDGOHTBOOYAVOP-RXGASFOTSA-N 0 0 439.596 6.740 40 0 biogenic,in-vitro IKABRN CC1(C)CC[C@]23CO[C@H]1[C@H]2[C@H]1CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]2(C)[C@@]1(C)CC3 ZINC000004721049 291397816 /nfs/dbraw/zinc/39/78/16/291397816.db2.gz BZNIIOGSANMIET-UNGYRXSUSA-N 0 0 442.728 7.238 40 0 biogenic,in-vitro IKABRN 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5.600 40 0 IKABRN Cc1cc(Br)ccc1NCc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000408602746 193972141 /nfs/dbraw/zinc/97/21/41/193972141.db2.gz AQGXSHLFUBHCJX-UHFFFAOYSA-N 0 0 425.326 5.387 40 0 IKABRN Cc1cccc(NC(=O)COc2cccc(CNc3ccc(Br)cc3C)c2)c1 ZINC000408604750 193973991 /nfs/dbraw/zinc/97/39/91/193973991.db2.gz FQWZYPUOXMFMPX-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)c(C(=O)NC(C)C)c3)ccc21 ZINC000408605068 193974104 /nfs/dbraw/zinc/97/41/04/193974104.db2.gz MMOQTWRKJCRODS-UHFFFAOYSA-N 0 0 449.576 5.062 40 0 IKABRN COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000408615263 193981353 /nfs/dbraw/zinc/98/13/53/193981353.db2.gz ODRIRCYQTPMICC-UHFFFAOYSA-N 0 0 429.303 5.184 40 0 IKABRN O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000001635186 132246154 /nfs/dbraw/zinc/24/61/54/132246154.db2.gz SNLUEZLITDQYGH-UHFFFAOYSA-N 0 0 442.028 5.222 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)cc1 ZINC000005675226 132275572 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CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)c1 ZINC000020611298 521775489 /nfs/dbraw/zinc/77/54/89/521775489.db2.gz AZFQFWKCNKWHSL-KRWDZBQOSA-N 0 0 430.508 5.167 40 0 IKABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc2ccccc2c1 ZINC000020611399 521836808 /nfs/dbraw/zinc/83/68/08/521836808.db2.gz RVJQQMSUIKCOBB-UHFFFAOYSA-N 0 0 429.863 5.957 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000041076884 521876286 /nfs/dbraw/zinc/87/62/86/521876286.db2.gz CYOAENAUVKJJQW-UHFFFAOYSA-N 0 0 435.980 6.031 40 0 IKABRN CCc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000012878207 521890337 /nfs/dbraw/zinc/89/03/37/521890337.db2.gz MAWFGVZGQPQKCI-UHFFFAOYSA-N 0 0 426.973 5.380 40 0 IKABRN COc1cc(/C=C/C(=O)N2CCC[C@@H]3CCC[C@@H](C)[C@H]32)ccc1OCc1c(C)noc1C ZINC000057991510 521926245 /nfs/dbraw/zinc/92/62/45/521926245.db2.gz SWKLBDWPNPBGNR-AIIVDWBLSA-N 0 0 438.568 5.319 40 0 IKABRN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000041078048 521948083 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ZINC000020487495 522536184 /nfs/dbraw/zinc/53/61/84/522536184.db2.gz RZFJRQLFSKUETF-QFIPXVFZSA-N 0 0 442.968 5.330 40 0 IKABRN CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 ZINC000020490845 522536981 /nfs/dbraw/zinc/53/69/81/522536981.db2.gz QNULUQVOXYZWDG-RPLLCQBOSA-N 0 0 444.600 5.384 40 0 IKABRN CCc1nn(Cc2nc(-c3cccc(Cl)c3)oc2C)c(=O)c2cc3cc(C)ccc3n21 ZINC000021166278 522704651 /nfs/dbraw/zinc/70/46/51/522704651.db2.gz XNFVTTPBQDQJEH-UHFFFAOYSA-N 0 0 432.911 5.185 40 0 IKABRN CCc1nn2c(nnc(C(=O)Nc3cccc(OC)c3)c2C)c1-c1cccc2ccccc21 ZINC000020672811 522713274 /nfs/dbraw/zinc/71/32/74/522713274.db2.gz VCAVCBGLEXPKIK-UHFFFAOYSA-N 0 0 437.503 5.076 40 0 IKABRN CCc1nn2c(nnc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1ccc(Cl)cc1 ZINC000020672672 522713958 /nfs/dbraw/zinc/71/39/58/522713958.db2.gz BPCXKYFOOIBMMS-UHFFFAOYSA-N 0 0 426.307 5.221 40 0 IKABRN CCc1nn2c(nnc(C(=O)Nc3ccccc3Cl)c2C)c1-c1cccc2ccccc21 ZINC000020672779 522714390 /nfs/dbraw/zinc/71/43/90/522714390.db2.gz 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CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000020460928 522896562 /nfs/dbraw/zinc/89/65/62/522896562.db2.gz APTKIHAGEOAOAX-VGSWGCGISA-N 0 0 436.939 5.627 40 0 IKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020456601 522896683 /nfs/dbraw/zinc/89/66/83/522896683.db2.gz DLGLDTJESFYJHR-FQEVSTJZSA-N 0 0 428.315 6.021 40 0 IKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000020451470 523040421 /nfs/dbraw/zinc/04/04/21/523040421.db2.gz UABJEQYNOAVCQS-HXUWFJFHSA-N 0 0 426.409 5.817 40 0 IKABRN CCc1onc(C)c1C(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2ccccn2)cc1 ZINC000012222229 523040443 /nfs/dbraw/zinc/04/04/43/523040443.db2.gz OHLHKHUOMASCPX-UHFFFAOYSA-N 0 0 441.535 5.118 40 0 IKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000020460925 523060843 /nfs/dbraw/zinc/06/08/43/523060843.db2.gz APTKIHAGEOAOAX-HTAPYJJXSA-N 0 0 436.939 5.627 40 0 IKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020456600 523061701 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IKABRN COC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000012636441 523248691 /nfs/dbraw/zinc/24/86/91/523248691.db2.gz GPIXJBHTCKHGDJ-LYTYMJBXSA-N 0 0 442.650 5.549 40 0 IKABRN CCn1c2ccc(Cl)cc2c(-c2ccccc2)c(Nc2ccc(OC)cc2OC)c1=O ZINC000017099277 523263437 /nfs/dbraw/zinc/26/34/37/523263437.db2.gz SVBVZVWBAAQBAA-UHFFFAOYSA-N 0 0 434.923 6.103 40 0 IKABRN CCn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)c2cc(Cl)ccc21 ZINC000022234877 523345395 /nfs/dbraw/zinc/34/53/95/523345395.db2.gz RTVCEHGVXXEVTC-UHFFFAOYSA-N 0 0 430.118 5.887 40 0 IKABRN CCn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236790 523346111 /nfs/dbraw/zinc/34/61/11/523346111.db2.gz ZYEWVYLICBVBTJ-UHFFFAOYSA-N 0 0 429.225 5.599 40 0 IKABRN CCn1cc(C(=O)Nc2ccccc2C(F)(F)F)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236806 523346908 /nfs/dbraw/zinc/34/69/08/523346908.db2.gz HYQDFRBMGAMHSX-UHFFFAOYSA-N 0 0 428.332 5.311 40 0 IKABRN CCn1cc(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236777 523347307 /nfs/dbraw/zinc/34/73/07/523347307.db2.gz BJXFIQNYNSMKPP-UHFFFAOYSA-N 0 0 429.225 5.599 40 0 IKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1Cl ZINC000020610734 523349872 /nfs/dbraw/zinc/34/98/72/523349872.db2.gz GCOSOLCNFMTGCF-UHFFFAOYSA-N 0 0 447.709 5.642 40 0 IKABRN COc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C(C)(C)C)C3 ZINC000017083544 523509632 /nfs/dbraw/zinc/50/96/32/523509632.db2.gz LRJUYPMKLYBAOY-VOJFVSQTSA-N 0 0 449.414 5.524 40 0 IKABRN CCc1c(C)sc2nc(C)nc(SCC(=O)N3c4ccc(F)cc4CC[C@@H]3C)c12 ZINC000012500059 523720774 /nfs/dbraw/zinc/72/07/74/523720774.db2.gz FEOWFEHHVBARQL-LBPRGKRZSA-N 0 0 429.586 5.470 40 0 IKABRN CCc1c(C)sc2nc(C3CC3)nc(SCC(=O)Nc3cc(C)ccc3OC)c12 ZINC000012500098 523721335 /nfs/dbraw/zinc/72/13/35/523721335.db2.gz NJIZZLHGOGYMQS-UHFFFAOYSA-N 0 0 427.595 5.487 40 0 IKABRN COc1ccc(C)cc1-n1c2nnc(S[C@H](C)c3ccccc3)n2c2ccccc2c1=O ZINC000009580855 523800038 /nfs/dbraw/zinc/80/00/38/523800038.db2.gz YGEYPMVQTKAWBT-QGZVFWFLSA-N 0 0 442.544 5.204 40 0 IKABRN COc1ccc(C)cc1CN(C(=O)Nc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000016769827 523808325 /nfs/dbraw/zinc/80/83/25/523808325.db2.gz JHKDVCMNYWUSNJ-UHFFFAOYSA-N 0 0 439.947 5.214 40 0 IKABRN CCc1ccc(-c2csc(S(=O)(=O)c3nc(-c4ccc(CC)cc4)cs3)n2)cc1 ZINC000016162083 523856871 /nfs/dbraw/zinc/85/68/71/523856871.db2.gz IONRZSDTTPATMB-UHFFFAOYSA-N 0 0 440.615 5.891 40 0 IKABRN CCc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1 ZINC000017097852 523861501 /nfs/dbraw/zinc/86/15/01/523861501.db2.gz AYWYPJNRMRUKCA-UHFFFAOYSA-N 0 0 432.348 6.005 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 ZINC000020611192 523868962 /nfs/dbraw/zinc/86/89/62/523868962.db2.gz CGASWLWMGHEAOM-UHFFFAOYSA-N 0 0 425.319 5.850 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1 ZINC000020611254 523869155 /nfs/dbraw/zinc/86/91/55/523869155.db2.gz UYAAMKNCDNBCPI-UHFFFAOYSA-N 0 0 448.954 5.579 40 0 IKABRN COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(Cl)cc32)cc1OC ZINC000012486174 523879857 /nfs/dbraw/zinc/87/98/57/523879857.db2.gz DINVMRKILWLQAS-UHFFFAOYSA-N 0 0 447.966 6.089 40 0 IKABRN COc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Cl)cc32)cc1OC ZINC000012486182 523879917 /nfs/dbraw/zinc/87/99/17/523879917.db2.gz WBUAZMZLNLIYRG-UHFFFAOYSA-N 0 0 426.303 5.445 40 0 IKABRN COc1ccc(CC(=O)N2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc1OC ZINC000012185227 523891238 /nfs/dbraw/zinc/89/12/38/523891238.db2.gz CRXSZYNDLMWFEN-SFHVURJKSA-N 0 0 426.538 5.107 40 0 IKABRN CN(C(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)C1CCCC1 ZINC000020456467 523931032 /nfs/dbraw/zinc/93/10/32/523931032.db2.gz FOKHPNAOEMSORO-UHFFFAOYSA-N 0 0 448.588 5.097 40 0 IKABRN CC[C@H](C)N(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022256900 523944888 /nfs/dbraw/zinc/94/48/88/523944888.db2.gz BLTXPGCUISWJCC-SFHVURJKSA-N 0 0 427.570 5.158 40 0 IKABRN CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCc2ccc(Br)cc2)cc1 ZINC000016161696 523990036 /nfs/dbraw/zinc/99/00/36/523990036.db2.gz YQMIAIPNCRTRQC-LEWJYISDSA-N 0 0 444.369 5.500 40 0 IKABRN CCc1ccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000035533950 523994181 /nfs/dbraw/zinc/99/41/81/523994181.db2.gz XMQVHYYOEYVATM-UHFFFAOYSA-N 0 0 438.506 5.694 40 0 IKABRN COc1ccc(CN(Cc2cc3cccc(C)c3nc2Cl)C(=O)c2ccc(C)cc2)cc1 ZINC000012482421 524014854 /nfs/dbraw/zinc/01/48/54/524014854.db2.gz ORNMAVUPHKSLLM-UHFFFAOYSA-N 0 0 444.962 6.356 40 0 IKABRN CCc1ccc([C@@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020970397 524033814 /nfs/dbraw/zinc/03/38/14/524033814.db2.gz VLXWZWJJQZWFIW-XMMPIXPASA-N 0 0 442.950 6.180 40 0 IKABRN CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)cc2c1 ZINC000012706668 524057652 /nfs/dbraw/zinc/05/76/52/524057652.db2.gz KVDWIWMEBIBGRK-UHFFFAOYSA-N 0 0 437.971 6.111 40 0 IKABRN CCc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000012486096 524059118 /nfs/dbraw/zinc/05/91/18/524059118.db2.gz WAUKMAUPBXNEMQ-UHFFFAOYSA-N 0 0 441.575 5.998 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020459337 524065928 /nfs/dbraw/zinc/06/59/28/524065928.db2.gz VVRXIXBVJKDERA-UHFFFAOYSA-N 0 0 428.941 5.264 40 0 IKABRN CCc1cccc(CC)c1NC(=O)CSc1nnc2c3cc(Cl)ccc3[nH]c2n1 ZINC000012496656 524068118 /nfs/dbraw/zinc/06/81/18/524068118.db2.gz NWCPMJLLUTYCGQ-UHFFFAOYSA-N 0 0 425.945 5.015 40 0 IKABRN CNC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000012636524 524075294 /nfs/dbraw/zinc/07/52/94/524075294.db2.gz SLMKCERHLKGIGX-LYTYMJBXSA-N 0 0 441.666 5.122 40 0 IKABRN CNC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c21)CC[C@H](C)C3 ZINC000012636517 524075322 /nfs/dbraw/zinc/07/53/22/524075322.db2.gz SLMKCERHLKGIGX-ZBNOLQPOSA-N 0 0 441.666 5.122 40 0 IKABRN Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1 ZINC000020450386 524095560 /nfs/dbraw/zinc/09/55/60/524095560.db2.gz PZRCZRCGEYSMEQ-UHFFFAOYSA-N 0 0 442.968 5.247 40 0 IKABRN Cc1ccc(C)c(Cn2c3c(-c4ccccc4)sc(=S)n3c3ccccc3c2=O)c1 ZINC000020378522 524111131 /nfs/dbraw/zinc/11/11/31/524111131.db2.gz JRGWJXWQDXYGIS-UHFFFAOYSA-N 0 0 428.582 6.377 40 0 IKABRN Cc1cccc(-c2noc(CNC(=O)c3cccc(OCc4ccccc4Cl)c3)n2)c1 ZINC000022255373 524132091 /nfs/dbraw/zinc/13/20/91/524132091.db2.gz OMGRRFJJFMUZHR-UHFFFAOYSA-N 0 0 433.895 5.207 40 0 IKABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccco2)c1 ZINC000012479091 524138132 /nfs/dbraw/zinc/13/81/32/524138132.db2.gz VRXIUUKHVIWMJD-RUZDIDTESA-N 0 0 446.547 5.121 40 0 IKABRN C[C@@H]1CCCN(C(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)nc3ccccc32)C1 ZINC000012646010 524193949 /nfs/dbraw/zinc/19/39/49/524193949.db2.gz AGDHXIGAYZDKRC-ZFGQVMFLSA-N 0 0 435.637 5.448 40 0 IKABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)cc2n1 ZINC000012257691 524202535 /nfs/dbraw/zinc/20/25/35/524202535.db2.gz SVMDUHPVAHGFCC-CQSZACIVSA-N 0 0 448.514 5.017 40 0 IKABRN Cc1cc(C(F)(F)F)n2nc(-c3nnc(C45CC6CC(CC(C6)C4)C5)o3)c(Cl)c2n1 ZINC000017101728 524204418 /nfs/dbraw/zinc/20/44/18/524204418.db2.gz JNRLVUVTCKWFDC-UHFFFAOYSA-N 0 0 437.853 5.228 40 0 IKABRN 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COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797421 525384965 /nfs/dbraw/zinc/38/49/65/525384965.db2.gz DNWLRSWAHGVDHK-QHCPKHFHSA-N 0 0 444.922 5.626 40 0 IKABRN Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2/SC(=N)NC2=O)c(C)c1 ZINC000041077995 525425594 /nfs/dbraw/zinc/42/55/94/525425594.db2.gz NOVZFJAKEZMOKL-RQZCQDPDSA-N 0 0 437.348 5.207 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1Cc1ccco1 ZINC000224392947 525500221 /nfs/dbraw/zinc/50/02/21/525500221.db2.gz QFYQPFUHESOCTM-BJKOFHAPSA-N 0 0 446.551 5.457 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000016309353 525501638 /nfs/dbraw/zinc/50/16/38/525501638.db2.gz FNBCCKTXQPPEHM-UHFFFAOYSA-N 0 0 436.577 5.504 40 0 IKABRN COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1ccc(Br)cc1)=N2 ZINC000012486551 525507756 /nfs/dbraw/zinc/50/77/56/525507756.db2.gz CHAVSBORJVCFHH-UHFFFAOYSA-N 0 0 440.728 5.545 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2Cl)cc1 ZINC000020492128 525600255 /nfs/dbraw/zinc/60/02/55/525600255.db2.gz SWSRTCOBUUFVMC-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3Cl)cc2Cl)cc1 ZINC000020453298 525600676 /nfs/dbraw/zinc/60/06/76/525600676.db2.gz LFMWLHDWEJECMK-UHFFFAOYSA-N 0 0 449.359 5.033 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 ZINC000022527195 525602606 /nfs/dbraw/zinc/60/26/06/525602606.db2.gz XHGQTYJKBARXTN-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3Cl)c2)cc1 ZINC000020460356 525602868 /nfs/dbraw/zinc/60/28/68/525602868.db2.gz WKDLNVNVISVXRR-UHFFFAOYSA-N 0 0 449.359 5.033 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000020489746 525603220 /nfs/dbraw/zinc/60/32/20/525603220.db2.gz QNTJAVQRLJGYPY-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(SCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020493662 525647878 /nfs/dbraw/zinc/64/78/78/525647878.db2.gz JLKKEZKKBYUMNP-UHFFFAOYSA-N 0 0 432.589 6.276 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000020610996 525686482 /nfs/dbraw/zinc/68/64/82/525686482.db2.gz JOFJWHSDJQHKRA-AWNIVKPZSA-N 0 0 430.939 6.158 40 0 IKABRN COc1cccc(-c2csc(-c3cc(NC(=O)C45CC6CC(CC(C6)C4)C5)n(C)n3)n2)c1 ZINC000035683035 525717245 /nfs/dbraw/zinc/71/72/45/525717245.db2.gz SOZCHZHATOAMHG-UHFFFAOYSA-N 0 0 448.592 5.374 40 0 IKABRN Cc1ccc([C@@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2)cc1 ZINC000020493676 525769279 /nfs/dbraw/zinc/76/92/79/525769279.db2.gz KOCFVGOCEUJXSP-QHCPKHFHSA-N 0 0 430.400 6.441 40 0 IKABRN Cc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3C)c(=S)n2-c2ccccc2)cc1 ZINC000016769552 525841624 /nfs/dbraw/zinc/84/16/24/525841624.db2.gz SBKJTJXXORBGOU-UHFFFAOYSA-N 0 0 448.979 5.979 40 0 IKABRN Cc1ccc(-c2nnc(CSc3nc(C4CC4)nc4sc5c(c43)CC[C@@H](C)C5)o2)cc1 ZINC000012639408 525845041 /nfs/dbraw/zinc/84/50/41/525845041.db2.gz VQGFYLKULVVNEV-CQSZACIVSA-N 0 0 448.617 6.344 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 ZINC000020490066 525909711 /nfs/dbraw/zinc/90/97/11/525909711.db2.gz DXJPEVAPARSGKX-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000020488249 525910386 /nfs/dbraw/zinc/91/03/86/525910386.db2.gz AOUJAWCHNHKSLD-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000020454175 525911190 /nfs/dbraw/zinc/91/11/90/525911190.db2.gz NMDZTOZSZTULIA-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000020609910 525924877 /nfs/dbraw/zinc/92/48/77/525924877.db2.gz JHPHBBLIQIYDQU-CYBMUJFWSA-N 0 0 427.291 5.133 40 0 IKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3n2)cc1 ZINC000020609970 525932533 /nfs/dbraw/zinc/93/25/33/525932533.db2.gz XVILBSWBPMCBJL-UHFFFAOYSA-N 0 0 446.869 6.034 40 0 IKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)cc1 ZINC000020609932 525932844 /nfs/dbraw/zinc/93/28/44/525932844.db2.gz LUQSGXFCPXPBAL-UHFFFAOYSA-N 0 0 434.499 5.560 40 0 IKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020456359 525948054 /nfs/dbraw/zinc/94/80/54/525948054.db2.gz KMQRAWXNXQJFPH-KRWDZBQOSA-N 0 0 435.951 6.275 40 0 IKABRN Cc1ccc([C@H](NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2)cc1 ZINC000022523268 525968627 /nfs/dbraw/zinc/96/86/27/525968627.db2.gz JOVSPVIJTUBTEP-HHHXNRCGSA-N 0 0 441.958 6.747 40 0 IKABRN Cc1ccc([C@H](NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c2ccccc2)cc1 ZINC000020462580 525968770 /nfs/dbraw/zinc/96/87/70/525968770.db2.gz ILAFQVDXZRGJRU-SSEXGKCCSA-N 0 0 446.594 6.467 40 0 IKABRN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@@H](C)O)c4)c3N2)cc1 ZINC000035832803 526036524 /nfs/dbraw/zinc/03/65/24/526036524.db2.gz HIFMEZWRVWHWBI-JSNMRZPZSA-N 0 0 444.457 5.157 40 0 IKABRN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000012447580 526051100 /nfs/dbraw/zinc/05/11/00/526051100.db2.gz UYSCUCREJHMFBD-DEOSSOPVSA-N 0 0 439.433 5.021 40 0 IKABRN CSc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797329 526075199 /nfs/dbraw/zinc/07/51/99/526075199.db2.gz QUCHDSBCAXHAJE-DEOSSOPVSA-N 0 0 440.572 5.994 40 0 IKABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)nc2c1 ZINC000012879520 526103981 /nfs/dbraw/zinc/10/39/81/526103981.db2.gz REQGIVUAXJJKCW-ZDUSSCGKSA-N 0 0 436.865 5.955 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1Cl ZINC000017101825 526145064 /nfs/dbraw/zinc/14/50/64/526145064.db2.gz NFQZKSFOXDZGFZ-UHFFFAOYSA-N 0 0 437.977 6.052 40 0 IKABRN CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000022508816 526177641 /nfs/dbraw/zinc/17/76/41/526177641.db2.gz GNKTXNSUMIZCFH-UHFFFAOYSA-N 0 0 446.981 5.423 40 0 IKABRN Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000020487503 526210327 /nfs/dbraw/zinc/21/03/27/526210327.db2.gz RFSZEIREEBRSMR-HSZRJFAPSA-N 0 0 442.625 5.077 40 0 IKABRN Cc1ccc2c(c1)c(=O)n(CC(C)C)c1nnc(SCc3c(F)cccc3Cl)n12 ZINC000032985551 526217156 /nfs/dbraw/zinc/21/71/56/526217156.db2.gz QXAYPROXXFBBPH-UHFFFAOYSA-N 0 0 430.936 5.093 40 0 IKABRN COc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000035167740 526231096 /nfs/dbraw/zinc/23/10/96/526231096.db2.gz SGQCHKKOPLESGH-FQEVSTJZSA-N 0 0 441.531 5.035 40 0 IKABRN CSc1nsc(SCSc2c(Cl)c(Cl)nc(Cl)c2Cl)n1 ZINC000016248837 526234618 /nfs/dbraw/zinc/23/46/18/526234618.db2.gz VQDNHPJTWXOTEA-UHFFFAOYSA-N 0 0 425.240 6.111 40 0 IKABRN COc1cccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000020494988 526239372 /nfs/dbraw/zinc/23/93/72/526239372.db2.gz WGLHYTIRNPGANK-GOSISDBHSA-N 0 0 446.547 5.651 40 0 IKABRN Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3nc4ccccc4s3)c2c1 ZINC000012708210 526242407 /nfs/dbraw/zinc/24/24/07/526242407.db2.gz LUDXGANTWKXXDP-UHFFFAOYSA-N 0 0 442.569 5.946 40 0 IKABRN Cc1ccc(C(C)C)c(OCc2nn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)c1 ZINC000015304086 526249029 /nfs/dbraw/zinc/24/90/29/526249029.db2.gz PMRKXCXUNXRYBD-UHFFFAOYSA-N 0 0 433.983 6.803 40 0 IKABRN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000012548967 526287254 /nfs/dbraw/zinc/28/72/54/526287254.db2.gz UVWGKYLODFTVNF-IGCHPXFFSA-N 0 0 434.411 5.800 40 0 IKABRN Cc1nn2c(nccc2-c2ccc(OCc3ccc(Cl)cc3)cc2)c1-c1ccccc1 ZINC000022607304 526313472 /nfs/dbraw/zinc/31/34/72/526313472.db2.gz YDEOYNNAIQWQIT-UHFFFAOYSA-N 0 0 425.919 6.604 40 0 IKABRN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020530703 526335456 /nfs/dbraw/zinc/33/54/56/526335456.db2.gz JDCFYWGCSKOXCE-UHFFFAOYSA-N 0 0 426.604 5.507 40 0 IKABRN Fc1ccc(F)c(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)c1 ZINC000016524023 526348056 /nfs/dbraw/zinc/34/80/56/526348056.db2.gz VJEJRZSQATWCBC-UHFFFAOYSA-N 0 0 427.281 6.890 40 0 IKABRN O=C(NCCSCc1ccccc1F)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020458286 526373502 /nfs/dbraw/zinc/37/35/02/526373502.db2.gz MIJKRTMJAIMZBR-UHFFFAOYSA-N 0 0 434.580 5.442 40 0 IKABRN S=C(Nc1cccc(Cl)c1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000012878363 526385687 /nfs/dbraw/zinc/38/56/87/526385687.db2.gz JHQOVYUULPFLSB-UHFFFAOYSA-N 0 0 449.432 5.636 40 0 IKABRN S=C(Nc1ccc(Cl)cc1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000012878319 526385941 /nfs/dbraw/zinc/38/59/41/526385941.db2.gz DJUDPZHVSNAXEK-UHFFFAOYSA-N 0 0 449.432 5.636 40 0 IKABRN Fc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000329013043 526414841 /nfs/dbraw/zinc/41/48/41/526414841.db2.gz MMTRNBYYGYKHMN-UHFFFAOYSA-N 0 0 446.448 5.513 40 0 IKABRN O=C(NCCc1ccccc1)/C(=C\c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 ZINC000016958403 526422144 /nfs/dbraw/zinc/42/21/44/526422144.db2.gz PKMMAATXOOEUIU-PXLXIMEGSA-N 0 0 439.342 5.123 40 0 IKABRN O=C(Oc1cccc2ccccc21)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Oc1cccc2ccccc21 ZINC000036020259 526445453 /nfs/dbraw/zinc/44/54/53/526445453.db2.gz XPWPZXGCDIIACE-FOCFSEODSA-N 0 0 434.491 5.942 40 0 IKABRN c1ccc(CC2(Cc3ccccc3)OC[C@@H](Cn3c4ccccc4c4ccccc43)O2)cc1 ZINC000016478809 526462928 /nfs/dbraw/zinc/46/29/28/526462928.db2.gz UDSYRVMIARHTTK-RUZDIDTESA-N 0 0 433.551 6.392 40 0 IKABRN Cc1noc(C)c1C(=O)N1CCCC[C@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 ZINC000012230065 526468771 /nfs/dbraw/zinc/46/87/71/526468771.db2.gz NZBFKENMPZZZKX-HNNXBMFYSA-N 0 0 449.477 5.018 40 0 IKABRN c1ccc2[nH]c(-c3cc(-c4nc5ccccc5[nH]4)cc(-c4nc5ccccc5[nH]4)c3)nc2c1 ZINC000020533756 526500695 /nfs/dbraw/zinc/50/06/95/526500695.db2.gz GEJNKGHTWHDVTK-UHFFFAOYSA-N 0 0 426.483 6.317 40 0 IKABRN O=C(CCc1nc(-c2cccs2)no1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000021586938 526646168 /nfs/dbraw/zinc/64/61/68/526646168.db2.gz YMUWBWREXORJNP-UHFFFAOYSA-N 0 0 435.349 5.407 40 0 IKABRN O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022258580 526775179 /nfs/dbraw/zinc/77/51/79/526775179.db2.gz UOTTXKHLVYFHOW-UHFFFAOYSA-N 0 0 441.358 5.535 40 0 IKABRN O=C(c1ccccc1F)N(Cc1ccco1)Cc1cc2cc3c(cc2nc1Cl)OCO3 ZINC000012493987 526803451 /nfs/dbraw/zinc/80/34/51/526803451.db2.gz NJVPMUKEIZSZTD-UHFFFAOYSA-N 0 0 438.842 5.192 40 0 IKABRN O=C(c1ccccc1F)N(CCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000012469199 526803932 /nfs/dbraw/zinc/80/39/32/526803932.db2.gz AZWCDPDROFDGDJ-UHFFFAOYSA-N 0 0 436.939 6.492 40 0 IKABRN N=C1S[C@@H](C(=O)c2ccccc2)[C@](Br)(c2ccccc2)N1c1ccccc1 ZINC000035185304 526840130 /nfs/dbraw/zinc/84/01/30/526840130.db2.gz AHUSPTPILYVXOB-UNMCSNQZSA-N 0 0 437.362 5.674 40 0 IKABRN O=C(N[C@@H]1CC1(c1ccccc1)c1ccccc1)N[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000017429838 526878479 /nfs/dbraw/zinc/87/84/79/526878479.db2.gz DIDKTFQKJBUMOX-HNRBIFIRSA-N 0 0 444.578 5.803 40 0 IKABRN O=C(COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc2c(c1)CCCC2 ZINC000024522628 526915244 /nfs/dbraw/zinc/91/52/44/526915244.db2.gz JSSJSZCZSUHCSP-UHFFFAOYSA-N 0 0 438.483 5.322 40 0 IKABRN Clc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000036056435 526939204 /nfs/dbraw/zinc/93/92/04/526939204.db2.gz AMGADLQGZRNVQK-KXENESABSA-N 0 0 433.382 7.794 40 0 IKABRN Clc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000015188056 526941870 /nfs/dbraw/zinc/94/18/70/526941870.db2.gz 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YBUAALSUKVNQFM-UHFFFAOYSA-N 0 0 440.510 5.738 40 0 in-vitro IKABRN O=C(Cc1ccccc1)Nc1c(Br)cc(Br)cc1Br ZINC000001599901 555705404 /nfs/dbraw/zinc/70/54/04/555705404.db2.gz MQCDVPNHMZSZFV-UHFFFAOYSA-N 0 0 447.952 5.155 40 0 IKABRN CC(C)Nc1nc(N)nc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc21 ZINC000001600324 555705462 /nfs/dbraw/zinc/70/54/62/555705462.db2.gz IUJVZZHXALKKFE-UHFFFAOYSA-N 0 0 425.323 5.463 40 0 IKABRN Clc1ccccc1-c1nnc(-c2cccc(-c3nnc(-c4ccccc4Cl)o3)n2)o1 ZINC000001607488 555705667 /nfs/dbraw/zinc/70/56/67/555705667.db2.gz SBEYXBYBLCHSPO-UHFFFAOYSA-N 0 0 436.258 5.822 40 0 IKABRN COc1ccc(-c2csc(NC(=O)Nc3nc(-c4ccc(OC)cc4)cs3)n2)cc1 ZINC000001611140 555705735 /nfs/dbraw/zinc/70/57/35/555705735.db2.gz IDXOJTFGKOZYMU-UHFFFAOYSA-N 0 0 438.534 5.595 40 0 IKABRN COc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000001620891 555706391 /nfs/dbraw/zinc/70/63/91/555706391.db2.gz ZQKUDMQDTFZXKI-UHFFFAOYSA-N 0 0 437.923 5.761 40 0 IKABRN O=C(Oc1ccc(-c2ccc(Br)cc2)cc1Br)c1ccccc1 ZINC000001621484 555706395 /nfs/dbraw/zinc/70/63/95/555706395.db2.gz CUDIVYPVRZWHOI-UHFFFAOYSA-N 0 0 432.111 6.098 40 0 IKABRN C[C@@H](OC(=O)Nc1cccc(Cl)c1)C(=O)OCCOc1ccc(Cl)cc1Cl ZINC000001621149 555706419 /nfs/dbraw/zinc/70/64/19/555706419.db2.gz RVTQCMLKXQQCPQ-LLVKDONJSA-N 0 0 432.687 5.206 40 0 IKABRN COC(=O)N1CC[C@@H](Sc2ccccc2)[C@@]2(CCSc3ccccc3)CCC=C12 ZINC000001623117 555706835 /nfs/dbraw/zinc/70/68/35/555706835.db2.gz QUCPPNXNVVBRLL-ISKFKSNPSA-N 0 0 425.619 6.466 40 0 IKABRN Cn1cc(Cc2ccc(-c3ccccc3)cc2)c(=O)c(Cc2ccc(-c3ccccc3)cc2)c1 ZINC000001626849 555707072 /nfs/dbraw/zinc/70/70/72/555707072.db2.gz BKYMWEZMONFPMN-UHFFFAOYSA-N 0 0 441.574 6.901 40 0 IKABRN S=C(NNc1ccccc1Oc1ccccc1)NNc1ccccc1Oc1ccccc1 ZINC000001653873 555708160 /nfs/dbraw/zinc/70/81/60/555708160.db2.gz MPENNSUECLPXKK-UHFFFAOYSA-N 0 0 442.544 6.089 40 0 IKABRN Clc1ccc(Oc2nc(Cl)nc(Oc3ccc(Cl)cc3Cl)n2)c(Cl)c1 ZINC000001657292 555708487 /nfs/dbraw/zinc/70/84/87/555708487.db2.gz ZHSWOGVRMMAMTP-UHFFFAOYSA-N 0 0 437.497 6.723 40 0 IKABRN Oc1ccccc1C(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1 ZINC000001681613 555709270 /nfs/dbraw/zinc/70/92/70/555709270.db2.gz FCSJSKBERJLLHH-UHFFFAOYSA-N 0 0 438.624 7.195 40 0 in-vitro IKABRN Cc1cnc(SCc2ccc(Cl)cc2)nc1N(Cc1ccccc1)Cc1ccccc1 ZINC000001679763 555709298 /nfs/dbraw/zinc/70/92/98/555709298.db2.gz XJIOSFCPIHBSIY-UHFFFAOYSA-N 0 0 446.019 6.938 40 0 IKABRN Cc1ccc(C(C)C)c(OC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000001703556 555710227 /nfs/dbraw/zinc/71/02/27/555710227.db2.gz NAACKRDMOVULBN-UHFFFAOYSA-N 0 0 430.570 5.340 40 0 IKABRN CCOP(=O)(OCC)C1=C(P(=O)(OCC)OCC)C(F)(F)C(F)(F)C1(F)F ZINC000001713072 555710565 /nfs/dbraw/zinc/71/05/65/555710565.db2.gz LBESMDBGRBPMJF-UHFFFAOYSA-N 0 0 448.233 5.650 40 0 IKABRN O=C(COC(=O)C(O)(C1CCCCC1)C1CCCCC1)c1ccc(Br)cc1 ZINC000001711011 555710674 /nfs/dbraw/zinc/71/06/74/555710674.db2.gz NQQWZBHXBMTGAD-UHFFFAOYSA-N 0 0 437.374 5.067 40 0 IKABRN O=S(=O)(Cc1ccccc1)[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000001723187 555710874 /nfs/dbraw/zinc/71/08/74/555710874.db2.gz LVNDFAKBQMCCEG-SANMLTNESA-N 0 0 428.553 5.279 40 0 IKABRN Cc1c(CC(C)C)cc(C(C)(C)C)c(O)c1-c1c(C)c(C(C)(C)C)cc(CC(C)C)c1O ZINC000001732683 555711185 /nfs/dbraw/zinc/71/11/85/555711185.db2.gz MCJGSAGKECCECV-UHFFFAOYSA-N 0 0 438.696 8.374 40 0 IKABRN c1ccc(CCN2C(c3ccccc3)=CN(Cc3ccccc3)C=C2c2ccccc2)cc1 ZINC000001731066 555711217 /nfs/dbraw/zinc/71/12/17/555711217.db2.gz SCUPTIYZDUPTIN-UHFFFAOYSA-N 0 0 428.579 7.044 40 0 IKABRN Clc1c(Cl)c(Cl)c(CSc2nc3ccccc3s2)c(Cl)c1Cl ZINC000001760542 555712702 /nfs/dbraw/zinc/71/27/02/555712702.db2.gz XLMDXMPJMPJRKQ-UHFFFAOYSA-N 0 0 429.608 7.856 40 0 IKABRN COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000001768495 555712972 /nfs/dbraw/zinc/71/29/72/555712972.db2.gz FYTPUGBZDOZFLR-WLRTZDKTSA-N 0 0 428.315 6.233 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000001838324 555719655 /nfs/dbraw/zinc/71/96/55/555719655.db2.gz IZOUESDGIYTLSV-NSCUHMNNSA-N 0 0 425.526 6.614 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4OC)c3)nc2c1 ZINC000001838558 555719704 /nfs/dbraw/zinc/71/97/04/555719704.db2.gz REGHWBMYBCVMJU-OAHLLOKOSA-N 0 0 434.923 6.923 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c(C)c1 ZINC000001838108 555719755 /nfs/dbraw/zinc/71/97/55/555719755.db2.gz YGMACGJAHQRLSN-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(C)c1 ZINC000001858065 555721180 /nfs/dbraw/zinc/72/11/80/555721180.db2.gz LLEBLHPAMLYKPH-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c(C)c1 ZINC000001861134 555721188 /nfs/dbraw/zinc/72/11/88/555721188.db2.gz SCSRTSKWIUPPCC-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccccc4)c3)nc2c1 ZINC000001860937 555721197 /nfs/dbraw/zinc/72/11/97/555721197.db2.gz DNYPEEKODQHKSR-RKCSUWQLSA-N 0 0 430.935 7.314 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccccc4)c3)nc2c1 ZINC000001860941 555721200 /nfs/dbraw/zinc/72/12/00/555721200.db2.gz DNYPEEKODQHKSR-ZGUWOUCSSA-N 0 0 430.935 7.314 40 0 IKABRN CC/C(=C(\CC)c1ccc(OC(=O)C(C)(C)C)cc1)c1ccc(OC(=O)C(C)(C)C)cc1 ZINC000001868495 555721798 /nfs/dbraw/zinc/72/17/98/555721798.db2.gz OUMSBFSNFMXYEA-VHXPQNKSSA-N 0 0 436.592 7.320 40 0 IKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 ZINC000035078217 555723269 /nfs/dbraw/zinc/72/32/69/555723269.db2.gz YBVNLEYXWMOFPQ-UHFFFAOYSA-N 0 0 446.016 5.492 40 0 IKABRN FC(F)(F)Sc1ccc(Nc2nc(Cl)c(C(F)(F)F)c(Cl)c2Cl)cc1 ZINC000002191505 555756513 /nfs/dbraw/zinc/75/65/13/555756513.db2.gz JRPQNONVZVEZKI-UHFFFAOYSA-N 0 0 441.611 7.416 40 0 IKABRN CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2sc(C)c(C)c2c1=O ZINC000002195546 555756863 /nfs/dbraw/zinc/75/68/63/555756863.db2.gz OZWWQQQTQHRZSF-UHFFFAOYSA-N 0 0 434.586 5.737 40 0 IKABRN CC(C)(C)NC(=O)[C@H]1[C@H]2C[C@]3(Oc4ccc5ccccc5c42)N1c1ccccc1C3(C)C ZINC000002273147 555764431 /nfs/dbraw/zinc/76/44/31/555764431.db2.gz CRSMIGCCDJDVOE-HGIQPGCESA-N 0 0 426.560 5.497 40 0 IKABRN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000002373377 555773194 /nfs/dbraw/zinc/77/31/94/555773194.db2.gz QIVRVXSEVRRQNM-UHFFFAOYSA-N 0 0 445.331 5.263 40 0 IKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000035104632 555774062 /nfs/dbraw/zinc/77/40/62/555774062.db2.gz DWJXLYJYEDRHGZ-CQSZACIVSA-N 0 0 449.407 5.697 40 0 IKABRN O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1ccc2ccccc2c1)OCc1ccccc1 ZINC000002516264 555785175 /nfs/dbraw/zinc/78/51/75/555785175.db2.gz OIFLAYGUGJCZKM-VWLOTQADSA-N 0 0 425.484 5.283 40 0 IKABRN Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl ZINC000002521602 555785592 /nfs/dbraw/zinc/78/55/92/555785592.db2.gz LJQOBQLZTUSEJA-UHFFFAOYSA-N 0 0 429.772 8.581 40 0 IKABRN Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000002521600 555785605 /nfs/dbraw/zinc/78/56/05/555785605.db2.gz PJHBSPRZHUOIAS-UHFFFAOYSA-N 0 0 429.772 8.581 40 0 IKABRN FC(F)(c1ccc(Oc2ccccc2)cc1)C(F)(F)c1ccc(Oc2ccccc2)cc1 ZINC000002540136 555786338 /nfs/dbraw/zinc/78/63/38/555786338.db2.gz VCQCRHYEQAMPCL-UHFFFAOYSA-N 0 0 438.420 8.155 40 0 IKABRN CC(C)(C)c1ccc(OC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1 ZINC000002572829 555788304 /nfs/dbraw/zinc/78/83/04/555788304.db2.gz KJYSXRBJOSZLEL-UHFFFAOYSA-N 0 0 438.652 7.801 40 0 IKABRN CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3o2)cc1 ZINC000002590320 555789222 /nfs/dbraw/zinc/78/92/22/555789222.db2.gz KIQZODWUTPRBRY-UHFFFAOYSA-N 0 0 429.545 5.801 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000002591077 555789234 /nfs/dbraw/zinc/78/92/34/555789234.db2.gz NHFUGDUTXIIEPR-MDZDMXLPSA-N 0 0 439.298 6.462 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c(C)c1 ZINC000002591031 555789238 /nfs/dbraw/zinc/78/92/38/555789238.db2.gz DJGNTJFQWDALSP-UHFFFAOYSA-N 0 0 429.545 5.855 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4C)c3)nc2c1 ZINC000002593784 555789464 /nfs/dbraw/zinc/78/94/64/555789464.db2.gz QKQUCEHQXAGKBT-MRXNPFEDSA-N 0 0 448.950 6.988 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4C)c3)nc2c1 ZINC000002593794 555789478 /nfs/dbraw/zinc/78/94/78/555789478.db2.gz ITDNQHXFJISAAX-INIZCTEOSA-N 0 0 432.951 7.531 40 0 IKABRN CCCCC(=O)NC(=S)Nc1cc(-c2nc3cc([C@@H](C)CC)ccc3o2)ccc1Cl ZINC000002593459 555789489 /nfs/dbraw/zinc/78/94/89/555789489.db2.gz KBPOBIKKNNQVDK-AWEZNQCLSA-N 0 0 444.000 6.665 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)cc4)c3)nc2c1 ZINC000002594147 555789553 /nfs/dbraw/zinc/78/95/53/555789553.db2.gz GNJLAQHHRZARCD-AWEZNQCLSA-N 0 0 439.342 7.567 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)cc1 ZINC000408544654 555792753 /nfs/dbraw/zinc/79/27/53/555792753.db2.gz IITLWHFXIWCMCT-UHFFFAOYSA-N 0 0 442.049 6.604 40 0 IKABRN c1cc(Cc2nc(-c3ccccc3)cs2)sc1Cc1nc(-c2ccccc2)cs1 ZINC000002666569 555796491 /nfs/dbraw/zinc/79/64/91/555796491.db2.gz MEVDBLBRCGGZDR-UHFFFAOYSA-N 0 0 430.623 7.177 40 0 IKABRN COc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)sc2c1 ZINC000002679739 555798050 /nfs/dbraw/zinc/79/80/50/555798050.db2.gz VOESSGAIXZEPQZ-UHFFFAOYSA-N 0 0 435.357 6.593 40 0 IKABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)C2 ZINC000002812564 555827650 /nfs/dbraw/zinc/82/76/50/555827650.db2.gz SGHSSVQTCJZYGH-FYSMJZIKSA-N 0 0 445.390 6.287 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 ZINC000408553587 555871826 /nfs/dbraw/zinc/87/18/26/555871826.db2.gz OKNUVKIGAQMMBP-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN CCOc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cc1 ZINC000003011851 555879381 /nfs/dbraw/zinc/87/93/81/555879381.db2.gz DPADNLRMRSKUJB-QUCCMNQESA-N 0 0 444.457 5.503 40 0 IKABRN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4Cl)c3N2)cc1 ZINC000003012769 555879690 /nfs/dbraw/zinc/87/96/90/555879690.db2.gz KTFLEGVYMUZVHD-MSOLQXFVSA-N 0 0 434.849 5.758 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(I)cc1 ZINC000003095289 555886118 /nfs/dbraw/zinc/88/61/18/555886118.db2.gz CWTJOJIOOQDFEP-UHFFFAOYSA-N 0 0 435.305 5.356 40 0 IKABRN O=C1CS[C@H](c2ccccc2OCc2cccc3ccccc32)N1c1ccc(Cl)cc1 ZINC000408555415 555888022 /nfs/dbraw/zinc/88/80/22/555888022.db2.gz FXQRTQMBYUDABG-AREMUKBSSA-N 0 0 445.971 6.851 40 0 IKABRN O=C(Nc1ccc(O)cc1)c1ccc(Oc2ccc(C(=O)Nc3ccc(O)cc3)cc2)cc1 ZINC000003144051 555891666 /nfs/dbraw/zinc/89/16/66/555891666.db2.gz SVYACLVBSZGDEK-UHFFFAOYSA-N 0 0 440.455 5.395 40 0 IKABRN O=C1CS[C@H](c2cn(Cc3ccccc3F)c3ccccc23)N1c1ccc(Cl)cc1 ZINC000408556621 555894256 /nfs/dbraw/zinc/89/42/56/555894256.db2.gz KTUOXCADHBEKAT-XMMPIXPASA-N 0 0 436.939 6.261 40 0 IKABRN COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408557566 555895601 /nfs/dbraw/zinc/89/56/01/555895601.db2.gz OSRNFYBDZFRLJB-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN O=C(Nc1ccccc1)Nc1ccc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000003192144 555896065 /nfs/dbraw/zinc/89/60/65/555896065.db2.gz MZMLMCOUYVDSBM-UHFFFAOYSA-N 0 0 438.487 6.767 40 0 IKABRN CCOC(=O)c1c2c(sc1NC(=O)CSCc1c(Cl)cccc1Cl)CCC2 ZINC000408563452 555896891 /nfs/dbraw/zinc/89/68/91/555896891.db2.gz AKORJDCKZLODPG-UHFFFAOYSA-N 0 0 444.405 5.592 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1F ZINC000035144907 555897151 /nfs/dbraw/zinc/89/71/51/555897151.db2.gz UGKPAEMUOVCAHH-UHFFFAOYSA-N 0 0 425.316 5.142 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(Cl)cc1 ZINC000408560153 555899887 /nfs/dbraw/zinc/89/98/87/555899887.db2.gz CGKNOVLDGVURIC-GFMRDNFCSA-N 0 0 439.795 6.500 40 0 IKABRN O=C1CS[C@@H](c2cccc(OCc3cccc4ccccc43)c2)N1c1ccc(Cl)cc1 ZINC000408560249 555900090 /nfs/dbraw/zinc/90/00/90/555900090.db2.gz YAVWQRCXQODHQH-SANMLTNESA-N 0 0 445.971 6.851 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408560205 555900141 /nfs/dbraw/zinc/90/01/41/555900141.db2.gz CNYGEOBFCAIWSN-GYHWCHFESA-N 0 0 443.410 5.919 40 0 IKABRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccccc1Br ZINC000408561524 555903809 /nfs/dbraw/zinc/90/38/09/555903809.db2.gz JEFAOAFBVMSELM-QOCHGBHMSA-N 0 0 435.774 5.702 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(Br)cc1 ZINC000408562508 555905655 /nfs/dbraw/zinc/90/56/55/555905655.db2.gz QKLBHQQMAZCAKD-ATJXCDBQSA-N 0 0 449.801 5.956 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562459 555905669 /nfs/dbraw/zinc/90/56/69/555905669.db2.gz PSCBYKREOIYWRB-DAFNUICNSA-N 0 0 437.367 6.376 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F ZINC000408562867 555906328 /nfs/dbraw/zinc/90/63/28/555906328.db2.gz FXXRMZOKJPXSDP-QHCPKHFHSA-N 0 0 446.469 5.001 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccccc1 ZINC000408562951 555906485 /nfs/dbraw/zinc/90/64/85/555906485.db2.gz SMORNZQZWANKHH-LNVKXUELSA-N 0 0 429.383 5.693 40 0 IKABRN COc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408571228 555915126 /nfs/dbraw/zinc/91/51/26/555915126.db2.gz AKUSYOLKQGYFBZ-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000408571759 555915331 /nfs/dbraw/zinc/91/53/31/555915331.db2.gz FICBVLHUFYLJIF-DHZHZOJOSA-N 0 0 439.949 5.736 40 0 IKABRN S=C(NC[C@@H]1CCCO1)c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408573167 555915631 /nfs/dbraw/zinc/91/56/31/555915631.db2.gz IQQPBADENHWCHL-HNNXBMFYSA-N 0 0 440.790 5.126 40 0 IKABRN Cc1cc(I)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000408572219 555915681 /nfs/dbraw/zinc/91/56/81/555915681.db2.gz HJWYWLWZLFKDMT-FMIVXFBMSA-N 0 0 429.257 5.512 40 0 IKABRN CCOc1cc(C(=S)NCc2cccc(OC)c2)ccc1OCc1ccc(F)cc1 ZINC000408572242 555915906 /nfs/dbraw/zinc/91/59/06/555915906.db2.gz FUIBOFANLGTQKX-UHFFFAOYSA-N 0 0 425.525 5.277 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(OC)c(OC)c3OC)ccc21 ZINC000408563806 555917147 /nfs/dbraw/zinc/91/71/47/555917147.db2.gz QSVWWINQGHXQOS-RVDMUPIBSA-N 0 0 430.504 5.492 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(C)cc1 ZINC000408564087 555917488 /nfs/dbraw/zinc/91/74/88/555917488.db2.gz XOZUFZZZQLWEFR-LNVKXUELSA-N 0 0 429.383 5.611 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(Br)cc1 ZINC000408564471 555917768 /nfs/dbraw/zinc/91/77/68/555917768.db2.gz YPHUSUQIHMNRSD-VZCXRCSSSA-N 0 0 435.412 5.754 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 ZINC000408578857 555918929 /nfs/dbraw/zinc/91/89/29/555918929.db2.gz ZWQXJVYIEWNQMU-UHFFFAOYSA-N 0 0 441.980 5.792 40 0 IKABRN O=C(CSCc1cccc(Cl)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408573363 555923362 /nfs/dbraw/zinc/92/33/62/555923362.db2.gz CUBNGKLAJDZQEV-UHFFFAOYSA-N 0 0 430.356 6.096 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408573744 555923621 /nfs/dbraw/zinc/92/36/21/555923621.db2.gz KFXSZSPWPKGTTK-UHFFFAOYSA-N 0 0 425.981 6.091 40 0 IKABRN CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000408574395 555924565 /nfs/dbraw/zinc/92/45/65/555924565.db2.gz QBVWRLHYLNNNHH-JLHYYAGUSA-N 0 0 443.284 5.766 40 0 IKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408573903 555924601 /nfs/dbraw/zinc/92/46/01/555924601.db2.gz FBJBFQRKYOKLTF-AWEZNQCLSA-N 0 0 430.356 6.344 40 0 IKABRN COC(=O)c1cc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc(C(=O)OC)c1 ZINC000408574000 555924644 /nfs/dbraw/zinc/92/46/44/555924644.db2.gz GVOVAHYAPIZJLT-UHFFFAOYSA-N 0 0 449.528 5.113 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2c(c1)oc1ccccc12 ZINC000408575368 555925969 /nfs/dbraw/zinc/92/59/69/555925969.db2.gz UOZONJDPEPNRFV-NTCAYCPXSA-N 0 0 438.508 6.372 40 0 IKABRN COc1cccc(C(=S)NCc2ccccc2)c1OCc1ccc(Br)cc1 ZINC000408575346 555926014 /nfs/dbraw/zinc/92/60/14/555926014.db2.gz NXPSAXGOJXLRTE-UHFFFAOYSA-N 0 0 442.378 5.502 40 0 IKABRN Fc1ccccc1N1CCN(C(=S)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 ZINC000408577294 555927832 /nfs/dbraw/zinc/92/78/32/555927832.db2.gz SGDFIHWGENEEIY-UHFFFAOYSA-N 0 0 440.971 5.556 40 0 IKABRN COc1cccc(C(=S)NCc2ccccc2Cl)c1OCc1ccccc1Cl ZINC000408577255 555927886 /nfs/dbraw/zinc/92/78/86/555927886.db2.gz SBZLKSDIBBHTQN-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408577290 555927944 /nfs/dbraw/zinc/92/79/44/555927944.db2.gz SFMWSLHQCBHECU-UHFFFAOYSA-N 0 0 446.399 6.436 40 0 IKABRN COc1cccc(C(=S)NCc2cccc(C)c2)c1OCc1c(F)cccc1Cl ZINC000408577445 555928347 /nfs/dbraw/zinc/92/83/47/555928347.db2.gz SORWCVZECIWHDY-UHFFFAOYSA-N 0 0 429.944 5.840 40 0 IKABRN CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000408582944 555934183 /nfs/dbraw/zinc/93/41/83/555934183.db2.gz GJAKILUROBSMQE-UHFFFAOYSA-N 0 0 429.586 5.238 40 0 IKABRN O=C(Nc1ccccc1Oc1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408588243 555938860 /nfs/dbraw/zinc/93/88/60/555938860.db2.gz VFHYDTZSGCUHSW-UHFFFAOYSA-N 0 0 429.903 6.964 40 0 IKABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408586500 555939164 /nfs/dbraw/zinc/93/91/64/555939164.db2.gz NHFIWODJJOEYSJ-UHFFFAOYSA-N 0 0 447.554 5.906 40 0 IKABRN COc1ccccc1Oc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408587170 555939812 /nfs/dbraw/zinc/93/98/12/555939812.db2.gz ROPRKTAMJITTTR-UHFFFAOYSA-N 0 0 425.484 6.319 40 0 IKABRN CN(C(=O)c1ccccc1/C=C/c1ccccc1C(=O)N(C)c1ccccc1)c1ccccc1 ZINC000003845504 555947996 /nfs/dbraw/zinc/94/79/96/555947996.db2.gz OPMBNIDNBKFJMP-QURGRASLSA-N 0 0 446.550 6.410 40 0 IKABRN CC(=O)C(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000003846280 555948079 /nfs/dbraw/zinc/94/80/79/555948079.db2.gz RGMXZJHDZJTGFP-VEXUSMLFSA-N 0 0 448.559 5.332 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CC[C@H](C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000003846379 555948388 /nfs/dbraw/zinc/94/83/88/555948388.db2.gz VPVSCDLLMXELSN-HATYCHJRSA-N 0 0 446.672 6.721 40 0 IKABRN CCOc1ccc2c(c1)S[C@H](c1ccc(N(C)C)cc1)CC(c1ccc(OC)cc1)=N2 ZINC000003846941 555948402 /nfs/dbraw/zinc/94/84/02/555948402.db2.gz GVSVDYLFQFMYIB-VWLOTQADSA-N 0 0 432.589 6.460 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000003846390 555948441 /nfs/dbraw/zinc/94/84/41/555948441.db2.gz KRLZDCUGJCHXMY-LIYXKOFYSA-N 0 0 448.688 6.801 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C=C[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000003846384 555948451 /nfs/dbraw/zinc/94/84/51/555948451.db2.gz GNVGQELMUVQTKO-LIUOYIQUSA-N 0 0 446.672 6.577 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1C=C[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000003846382 555948483 /nfs/dbraw/zinc/94/84/83/555948483.db2.gz GNVGQELMUVQTKO-IIWXGHDZSA-N 0 0 446.672 6.577 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1CCC(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000003846393 555948496 /nfs/dbraw/zinc/94/84/96/555948496.db2.gz KRLZDCUGJCHXMY-SCIMUGROSA-N 0 0 448.688 6.801 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CCC(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)=CC1 ZINC000003846377 555948498 /nfs/dbraw/zinc/94/84/98/555948498.db2.gz GSMGNZCKZIUPCV-BRHPATDUSA-N 0 0 444.656 6.641 40 0 IKABRN O=C(c1cccs1)c1coc(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1 ZINC000003849340 555948702 /nfs/dbraw/zinc/94/87/02/555948702.db2.gz SEYHOQHOZASYFG-UHFFFAOYSA-N 0 0 428.918 5.725 40 0 IKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)OC(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000003851324 555948934 /nfs/dbraw/zinc/94/89/34/555948934.db2.gz WKGUHYADFSJSGL-KUMCDHDYSA-N 0 0 426.685 7.880 40 0 IKABRN Cc1nc2ccccc2n1CCc1nnc(SCc2ccccc2)n1-c1ccccc1 ZINC000003851078 555948986 /nfs/dbraw/zinc/94/89/86/555948986.db2.gz KMDPCHVMFYXHBE-UHFFFAOYSA-N 0 0 425.561 5.460 40 0 IKABRN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003977954 555951815 /nfs/dbraw/zinc/95/18/15/555951815.db2.gz DOMWKUIIPQCAJU-MQCODARXSA-N 0 0 428.613 5.970 40 0 IKABRN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003977956 555951898 /nfs/dbraw/zinc/95/18/98/555951898.db2.gz DOMWKUIIPQCAJU-UMIMZVJRSA-N 0 0 428.613 5.970 40 0 IKABRN Fc1cccc(COc2ccc3ccccc3c2CNc2ccc(Cl)cc2Cl)c1 ZINC000408603201 555972229 /nfs/dbraw/zinc/97/22/29/555972229.db2.gz BLKNJYXSJCXRFU-UHFFFAOYSA-N 0 0 426.318 7.477 40 0 IKABRN Fc1cccc(COc2ccc(Br)cc2CNc2ccc(F)c(Cl)c2)c1 ZINC000408603889 555973043 /nfs/dbraw/zinc/97/30/43/555973043.db2.gz BZVWPOOAZOJKAW-UHFFFAOYSA-N 0 0 438.699 6.572 40 0 IKABRN CC(C)COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408604185 555973834 /nfs/dbraw/zinc/97/38/34/555973834.db2.gz UFFUULFOCWJPLQ-WQRHYEAKSA-N 0 0 432.339 5.725 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc2c(ccc3ccccc23)o1 ZINC000408608493 555979006 /nfs/dbraw/zinc/97/90/06/555979006.db2.gz NHTCWBYJKWFBMP-UHFFFAOYSA-N 0 0 425.871 6.723 40 0 IKABRN O=C(COc1ccc(CNc2ccc(Cl)cc2Cl)cc1)Nc1ccc(Cl)cc1 ZINC000408610669 555980709 /nfs/dbraw/zinc/98/07/09/555980709.db2.gz RGWYYKCOMFQYHN-UHFFFAOYSA-N 0 0 435.738 6.276 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1C ZINC000408610332 555980784 /nfs/dbraw/zinc/98/07/84/555980784.db2.gz SXVXPVDXZFFXHT-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000408610734 555981083 /nfs/dbraw/zinc/98/10/83/555981083.db2.gz RXQJTUCIZWKVMH-UHFFFAOYSA-N 0 0 440.729 6.986 40 0 IKABRN CC(=O)Nc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1 ZINC000408618775 555982396 /nfs/dbraw/zinc/98/23/96/555982396.db2.gz GMMHRVMWWXEOKD-UHFFFAOYSA-N 0 0 431.879 5.040 40 0 IKABRN COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408615055 555986192 /nfs/dbraw/zinc/98/61/92/555986192.db2.gz LHZPAKOBORWGPB-UHFFFAOYSA-N 0 0 429.303 5.184 40 0 IKABRN COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000408616579 555987644 /nfs/dbraw/zinc/98/76/44/555987644.db2.gz ZNBXZMJQVMPBGA-UHFFFAOYSA-N 0 0 429.303 5.184 40 0 IKABRN CC(=O)C[C@H](SCCSCCS[C@@H](CC(C)=O)c1ccccc1)c1ccccc1 ZINC000004352970 555988901 /nfs/dbraw/zinc/98/89/01/555988901.db2.gz AOKADWHXGUNZMD-ZEQRLZLVSA-N 0 0 446.703 6.627 40 0 IKABRN COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cccc(F)c2)cc1 ZINC000408624102 555992968 /nfs/dbraw/zinc/99/29/68/555992968.db2.gz FINYWWMNFWJVEA-UHFFFAOYSA-N 0 0 440.323 5.537 40 0 IKABRN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C ZINC000004429036 555994619 /nfs/dbraw/zinc/99/46/19/555994619.db2.gz FSLPMRQHCOLESF-WOHWNQJCSA-N 0 0 426.729 8.025 40 0 IKABRN CSc1nc2sc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2c(N2CCCC2)n1 ZINC000408624968 555995275 /nfs/dbraw/zinc/99/52/75/555995275.db2.gz WHNBTGWHSTXVFF-UHFFFAOYSA-N 0 0 439.393 5.573 40 0 IKABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NC2CCCCCCC2)cc1 ZINC000408629463 555995361 /nfs/dbraw/zinc/99/53/61/555995361.db2.gz BPMXDWBRYHUAGP-UHFFFAOYSA-N 0 0 449.016 5.149 40 0 IKABRN O=C(Nc1cccc(I)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408625173 555995784 /nfs/dbraw/zinc/99/57/84/555995784.db2.gz XEDNMPAWBMQERW-UHFFFAOYSA-N 0 0 441.627 5.596 40 0 IKABRN CCOc1ccccc1N(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 ZINC000408627659 555998352 /nfs/dbraw/zinc/99/83/52/555998352.db2.gz OINKJENEOFNFHF-UHFFFAOYSA-N 0 0 436.360 5.788 40 0 IKABRN Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cc(Cl)ccc1Cl ZINC000408627548 555998369 /nfs/dbraw/zinc/99/83/69/555998369.db2.gz OCYYGFOPIYTNAM-UHFFFAOYSA-N 0 0 447.343 5.116 40 0 IKABRN COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2F)cc1 ZINC000408628343 555998948 /nfs/dbraw/zinc/99/89/48/555998948.db2.gz XEUXYVWQGWDMQQ-UHFFFAOYSA-N 0 0 440.323 5.537 40 0 IKABRN COc1c2cc(C)cc1-c1cccc(c1)-c1cc(C)cc(c1OC)COCCOCCOC2 ZINC000004576995 556002228 /nfs/dbraw/zinc/00/22/28/556002228.db2.gz XPDQILBHEPNQKL-UHFFFAOYSA-N 0 0 448.559 5.718 40 0 IKABRN CCCCC[C@@H](CCC)COC(=O)c1ccccc1C(=O)OC[C@H](CCC)CCCCC ZINC000004683288 556006315 /nfs/dbraw/zinc/00/63/15/556006315.db2.gz MTYUOIVEVPTXFX-DNQXCXABSA-N 0 0 446.672 7.993 40 0 in-vitro IKABRN CC(C)COP(=O)(OCCOP(=O)(OCC(C)C)OCC(C)C)OCC(C)C ZINC000004705693 556006932 /nfs/dbraw/zinc/00/69/32/556006932.db2.gz LAANCYJYMQVVHV-UHFFFAOYSA-N 0 0 446.458 5.926 40 0 IKABRN Cc1cc(-c2ccc(NC(=O)N3[C@@H](C)C3(C)C)c(C)c2)ccc1NC(=O)N1[C@@H](C)C1(C)C ZINC000004722682 556008256 /nfs/dbraw/zinc/00/82/56/556008256.db2.gz KQVRLJDZJABHCL-NRBOPRNGSA-N 0 0 434.584 6.000 40 0 IKABRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N4C(=O)c5ccccc5C4=O)CCC[C@@]3(C)[C@@H]2CC1 ZINC000004726886 556008538 /nfs/dbraw/zinc/00/85/38/556008538.db2.gz ZZSCRJSMECRJMK-NAETUBRWSA-N 0 0 431.576 5.944 40 0 IKABRN O=C([C@H]1[C@H](c2ccccc2)N1C1CCCCC1)[C@@H]1[C@H](c2ccccc2)N1C1CCCCC1 ZINC000004726409 556008574 /nfs/dbraw/zinc/00/85/74/556008574.db2.gz YKMHGWDVZGNAER-QEBQPEIUSA-N 0 0 428.620 6.072 40 0 IKABRN CCOC(=O)COc1ccc(/C(CC)=C(\CC)c2ccc(OCC(=O)OCC)cc2)cc1 ZINC000004769048 556010939 /nfs/dbraw/zinc/01/09/39/556010939.db2.gz HPGJCKHTPLFVEI-WCWDXBQESA-N 0 0 440.536 5.301 40 0 IKABRN Cc1cc(C)cc(OC[C@@H]2[C@H](COC(=O)c3cccc(Cl)c3)c3ccccc3N2C)c1 ZINC000004773620 556011345 /nfs/dbraw/zinc/01/13/45/556011345.db2.gz GFOMBTVDBJDWDJ-ILBGXUMGSA-N 0 0 435.951 5.795 40 0 IKABRN CSc1nc2sc(C(=O)Nc3ccc(F)c(Cl)c3)cc2c(N2CCCCC2)n1 ZINC000408636012 556011609 /nfs/dbraw/zinc/01/16/09/556011609.db2.gz KNSZEKMEDROMBP-UHFFFAOYSA-N 0 0 436.965 5.448 40 0 IKABRN CCC(C)(C)SCC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]12 ZINC000004804319 556012443 /nfs/dbraw/zinc/01/24/43/556012443.db2.gz OGDFLFXEEQMLTP-VBWPBTNGSA-N 0 0 432.714 7.587 40 0 IKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000408635452 556013153 /nfs/dbraw/zinc/01/31/53/556013153.db2.gz BMACDLGQNPIPDW-UHFFFAOYSA-N 0 0 442.824 6.100 40 0 IKABRN C[C@H]1[C@@H](O)CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004831518 556013948 /nfs/dbraw/zinc/01/39/48/556013948.db2.gz XCDQFROEGGNAER-HYOYPCNISA-N 0 0 428.745 8.249 40 0 IKABRN Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408637812 556015296 /nfs/dbraw/zinc/01/52/96/556015296.db2.gz AFINUDQVEXNFFG-NSHDSACASA-N 0 0 442.140 5.056 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc5ccccc54)C3)cc2)cc1 ZINC000408638784 556015796 /nfs/dbraw/zinc/01/57/96/556015796.db2.gz DNBOULZPYRXRLS-NRFANRHFSA-N 0 0 436.511 5.932 40 0 IKABRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc(C)c1Br ZINC000408640892 556016937 /nfs/dbraw/zinc/01/69/37/556016937.db2.gz KEKQPIUBEFFTAU-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O ZINC000408647402 556022821 /nfs/dbraw/zinc/02/28/21/556022821.db2.gz VHYPXSLUHZAMQR-PKOBYXMFSA-N 0 0 434.923 5.681 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)cc1C ZINC000408644237 556024528 /nfs/dbraw/zinc/02/45/28/556024528.db2.gz SECUKNSPQUZJKP-SFHVURJKSA-N 0 0 434.923 5.741 40 0 IKABRN Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1C ZINC000408644530 556024582 /nfs/dbraw/zinc/02/45/82/556024582.db2.gz GJVZPAIGFLDSCQ-UHFFFAOYSA-N 0 0 428.463 5.453 40 0 IKABRN CC1(C)[C@@H]2CC[C@H]3[C@@]1(CC[C@@H]1[C@@]3(C)CC[C@]3(C)[C@@H]4CC(C)(C)CC[C@@]4(C)CC[C@@]13C)O2 ZINC000004972899 556024765 /nfs/dbraw/zinc/02/47/65/556024765.db2.gz JVGFZGDTAYCUDA-LGIOTMABSA-N 0 0 426.729 8.409 40 0 IKABRN O=C(Oc1ccc(Cl)cc1Cl)C1=C(C(=O)Oc2ccc(Cl)cc2Cl)CCC1 ZINC000004972389 556024770 /nfs/dbraw/zinc/02/47/70/556024770.db2.gz XCRJELHXZKQLJF-UHFFFAOYSA-N 0 0 446.113 6.292 40 0 IKABRN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1 ZINC000408645037 556025327 /nfs/dbraw/zinc/02/53/27/556025327.db2.gz UGJUPFYDKIRKNI-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN Cc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccc(C(F)(F)F)cc4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288635 556025336 /nfs/dbraw/zinc/02/53/36/556025336.db2.gz JLNJBCQHEIZPIN-ROUUACIJSA-N 0 0 445.485 5.046 40 0 biogenic,in-vitro IKABRN CN(C(=C(N(C)c1ccccc1)N(C)c1ccccc1)N(C)c1ccccc1)c1ccccc1 ZINC000004984199 556025717 /nfs/dbraw/zinc/02/57/17/556025717.db2.gz YQSXKGUPPXRUSR-UHFFFAOYSA-N 0 0 448.614 6.659 40 0 IKABRN C[C@H]1C(=O)[C@H](O)C[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000005004602 556027378 /nfs/dbraw/zinc/02/73/78/556027378.db2.gz DSEKYWAQQVUQTP-QCDJWZCHSA-N 0 0 442.728 7.428 40 0 IKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O ZINC000408651873 556027963 /nfs/dbraw/zinc/02/79/63/556027963.db2.gz CNFLQBFBBHWLPO-DEOSSOPVSA-N 0 0 427.544 5.361 40 0 IKABRN C[C@]12C(c3ccccc3)=C(c3ccccc3)[C@](C)(C[C@H]1c1ccccc1)[C@@]2(O)c1ccccc1 ZINC000005217097 556037538 /nfs/dbraw/zinc/03/75/38/556037538.db2.gz RYCCTEIDFGNPEH-RACJEYCXSA-N 0 0 442.602 7.699 40 0 IKABRN CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000408662897 556045337 /nfs/dbraw/zinc/04/53/37/556045337.db2.gz MXMKHUJDVKDLOF-HNNXBMFYSA-N 0 0 430.342 5.095 40 0 IKABRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408665581 556049581 /nfs/dbraw/zinc/04/95/81/556049581.db2.gz FZRRBLNFYYUUCH-UHFFFAOYSA-N 0 0 447.487 5.087 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035264242 556056918 /nfs/dbraw/zinc/05/69/18/556056918.db2.gz KDNMWUGXFRIYSN-VZUCSPMQSA-N 0 0 445.733 6.551 40 0 IKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 ZINC000035264343 556058703 /nfs/dbraw/zinc/05/87/03/556058703.db2.gz PFCBVJISKQAPOA-HNNXBMFYSA-N 0 0 448.906 5.570 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1Cl ZINC000035271045 556059377 /nfs/dbraw/zinc/05/93/77/556059377.db2.gz BFTKAGFEYCNPAW-UHFFFAOYSA-N 0 0 441.270 5.055 40 0 IKABRN O=C1CCC[C@@H](C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1 ZINC000005641067 556061400 /nfs/dbraw/zinc/06/14/00/556061400.db2.gz WPDWXBXPPXADDC-HXUWFJFHSA-N 0 0 436.667 7.776 40 0 IKABRN COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000408672823 556061713 /nfs/dbraw/zinc/06/17/13/556061713.db2.gz XFNTYCGSRYZQHC-UHFFFAOYSA-N 0 0 426.472 5.014 40 0 IKABRN CC1(C)CC[C@]2(C)CC=C3[C@](C)(CC[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@@H]2C1 ZINC000005699591 556062905 /nfs/dbraw/zinc/06/29/05/556062905.db2.gz GGGUGZHBAOMSFJ-SGYIZDKUSA-N 0 0 426.729 8.169 40 0 in-man IKABRN CCCCCC(=O)[C@@H]1[C@H](c2ccc(C)cc2)CC(=O)[C@H](CCCC)[C@@H]1c1ccc(C)cc1 ZINC000005707145 556063584 /nfs/dbraw/zinc/06/35/84/556063584.db2.gz WRFIWFQYNGCGCJ-ATACATFBSA-N 0 0 432.648 7.716 40 0 IKABRN CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000005714480 556063895 /nfs/dbraw/zinc/06/38/95/556063895.db2.gz ZMNQSAJGWRXSPA-DEOSSOPVSA-N 0 0 425.528 5.292 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccc(N)cc4)cc3)cc2)cc1 ZINC000408673752 556065481 /nfs/dbraw/zinc/06/54/81/556065481.db2.gz UUVXPDMDPLQRSX-UHFFFAOYSA-N 0 0 437.499 5.874 40 0 IKABRN Cc1ccc(S[C@@H](C)C=CNN=C2NN=C(c3ccccc3)[C@@H](c3ccccc3)N2)cc1 ZINC000005809035 556066463 /nfs/dbraw/zinc/06/64/63/556066463.db2.gz XVFLOSRILJBFTA-QXTFVTEWSA-N 0 0 441.604 5.188 40 0 IKABRN Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1 ZINC000408674172 556067029 /nfs/dbraw/zinc/06/70/29/556067029.db2.gz YRQCZPJIEPMLLT-OAQYLSRUSA-N 0 0 427.544 5.588 40 0 IKABRN COc1cc2c(OC)cc1CSCc1sc(C)c(c1Br)CSC2 ZINC000005837484 556067324 /nfs/dbraw/zinc/06/73/24/556067324.db2.gz SZRWPRLKDAHBTO-UHFFFAOYSA-N 0 0 431.442 6.016 40 0 IKABRN O=C(Nc1ccccc1Br)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408675794 556068100 /nfs/dbraw/zinc/06/81/00/556068100.db2.gz KNFIXHISIYVEQP-UHFFFAOYSA-N 0 0 437.268 5.329 40 0 IKABRN O=C(Nc1cccc(Cl)c1Cl)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408675627 556068236 /nfs/dbraw/zinc/06/82/36/556068236.db2.gz JWRJYCBEVQVONN-UHFFFAOYSA-N 0 0 427.262 5.874 40 0 IKABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000005944738 556070105 /nfs/dbraw/zinc/07/01/05/556070105.db2.gz SUCROPXIDNBOMJ-UHFFFAOYSA-N 0 0 447.585 5.877 40 0 IKABRN COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408681013 556075999 /nfs/dbraw/zinc/07/59/99/556075999.db2.gz ITNYGIUTGCVYBV-UHFFFAOYSA-N 0 0 443.286 5.285 40 0 IKABRN CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000035333431 556079559 /nfs/dbraw/zinc/07/95/59/556079559.db2.gz IIKRUEHVUIDGBE-UHFFFAOYSA-N 0 0 438.955 5.931 40 0 IKABRN CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000035351498 556080971 /nfs/dbraw/zinc/08/09/71/556080971.db2.gz ARULIFWPUXMFKW-AWEZNQCLSA-N 0 0 449.407 5.697 40 0 IKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2ccc(C)c(C)c2)cc1 ZINC000035352697 556081011 /nfs/dbraw/zinc/08/10/11/556081011.db2.gz BCLQSJBXXUNPPM-UHFFFAOYSA-N 0 0 444.394 5.770 40 0 IKABRN COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)n2c(C)ccc2C)c1 ZINC000408683215 556081393 /nfs/dbraw/zinc/08/13/93/556081393.db2.gz KVKVTDWFDJBLBR-UHFFFAOYSA-N 0 0 431.319 5.082 40 0 IKABRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000035362043 556083906 /nfs/dbraw/zinc/08/39/06/556083906.db2.gz ZFQOPFFVZAMZSD-NSHDSACASA-N 0 0 437.417 6.848 40 0 IKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 ZINC000035402972 556095734 /nfs/dbraw/zinc/09/57/34/556095734.db2.gz RCXKVVKQXDYLEN-NTEUORMPSA-N 0 0 443.930 6.889 40 0 IKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000408694369 556096531 /nfs/dbraw/zinc/09/65/31/556096531.db2.gz DOYSCTHMBJMQFF-GAJHUEQPSA-N 0 0 436.939 5.627 40 0 IKABRN COc1c(Br)cc(C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1 ZINC000035419739 556100462 /nfs/dbraw/zinc/10/04/62/556100462.db2.gz ARSSQOUAXXFISK-UHFFFAOYSA-N 0 0 446.728 5.942 40 0 IKABRN COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3C)n2)c1 ZINC000408699054 556101581 /nfs/dbraw/zinc/10/15/81/556101581.db2.gz UJCREJYUWSFLJW-UHFFFAOYSA-N 0 0 442.519 5.129 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)cc1Cl ZINC000408699911 556103171 /nfs/dbraw/zinc/10/31/71/556103171.db2.gz WZUYIDZNTXIWIV-UHFFFAOYSA-N 0 0 441.293 5.941 40 0 IKABRN CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1 ZINC000006921174 556110600 /nfs/dbraw/zinc/11/06/00/556110600.db2.gz SXXILWLQSQDLDL-UHFFFAOYSA-N 0 0 438.633 9.319 40 0 IKABRN O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1cccc(C(F)(F)F)c1 ZINC000408712952 556124517 /nfs/dbraw/zinc/12/45/17/556124517.db2.gz DDENZRTZJWNMNG-UHFFFAOYSA-N 0 0 432.467 5.799 40 0 IKABRN Cc1sc2nc(SCc3c(Cl)cccc3Cl)n(-c3ccccc3)c(=O)c2c1C ZINC000408723881 556151260 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CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000008794599 556216442 /nfs/dbraw/zinc/21/64/42/556216442.db2.gz LXFFUYQFDOWVAV-UHFFFAOYSA-N 0 0 433.530 5.019 40 0 IKABRN O=C1S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1cccc(O)c1 ZINC000008820713 556221027 /nfs/dbraw/zinc/22/10/27/556221027.db2.gz HUUIXIGWBIPGFP-ZDLGFXPLSA-N 0 0 432.284 6.200 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000008821673 556223369 /nfs/dbraw/zinc/22/33/69/556223369.db2.gz JHRXVSAJZZBIJZ-MOSHPQCFSA-N 0 0 431.941 5.764 40 0 IKABRN O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccc(Cl)cc1 ZINC000408751130 556228427 /nfs/dbraw/zinc/22/84/27/556228427.db2.gz WWNVDBIEDPIHFT-UHFFFAOYSA-N 0 0 445.396 7.148 40 0 IKABRN CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O ZINC000008871294 556229697 /nfs/dbraw/zinc/22/96/97/556229697.db2.gz QMDCBQGMNYISRV-QFIPXVFZSA-N 0 0 439.559 5.588 40 0 IKABRN FC(F)(F)c1cc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl ZINC000008870229 556229712 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ZINC000010008574 556320789 /nfs/dbraw/zinc/32/07/89/556320789.db2.gz KPBDSJMARXBCAD-UHFFFAOYSA-N 0 0 440.590 5.017 40 0 IKABRN CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010008615 556320881 /nfs/dbraw/zinc/32/08/81/556320881.db2.gz ZUAOPSYVAFBLLD-UHFFFAOYSA-N 0 0 444.940 5.171 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)c(C)c1 ZINC000010010913 556322434 /nfs/dbraw/zinc/32/24/34/556322434.db2.gz GRHVNBIQTJZZTD-UHFFFAOYSA-N 0 0 442.968 5.329 40 0 IKABRN Cc1ccc(NC(=O)NCCCc2ccccc2)cc1NC(=O)NCCCc1ccccc1 ZINC000010101018 556325283 /nfs/dbraw/zinc/32/52/83/556325283.db2.gz FOPRZPMFNCBVME-UHFFFAOYSA-N 0 0 444.579 5.504 40 0 IKABRN CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000010112190 556325886 /nfs/dbraw/zinc/32/58/86/556325886.db2.gz UECDFVHLBZAUSB-UHFFFAOYSA-N 0 0 438.549 5.064 40 0 IKABRN COc1ccc(-c2cc(C(=O)NC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 ZINC000013893272 556327481 /nfs/dbraw/zinc/32/74/81/556327481.db2.gz LOZAEEASPLQKIE-UHFFFAOYSA-N 0 0 444.534 6.430 40 0 IKABRN Cc1cc(Br)ccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000036811770 556328746 /nfs/dbraw/zinc/32/87/46/556328746.db2.gz NYJXCZJIWATCFG-NRFANRHFSA-N 0 0 437.337 5.257 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010325401 556331162 /nfs/dbraw/zinc/33/11/62/556331162.db2.gz IQDXMEQZZQHWPG-MRXNPFEDSA-N 0 0 440.952 5.041 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1 ZINC000010325229 556331230 /nfs/dbraw/zinc/33/12/30/556331230.db2.gz XFKJOSURROOXGA-GOSISDBHSA-N 0 0 434.561 5.202 40 0 IKABRN Cc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000010330830 556332161 /nfs/dbraw/zinc/33/21/61/556332161.db2.gz DUTUVICIYZHQGP-UHFFFAOYSA-N 0 0 449.359 5.033 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010333904 556332535 /nfs/dbraw/zinc/33/25/35/556332535.db2.gz PRIOKYNEUFJMDB-UHFFFAOYSA-N 0 0 446.931 5.006 40 0 IKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2Cl)cc1)c1cccc(Cl)c1 ZINC000010337084 556333184 /nfs/dbraw/zinc/33/31/84/556333184.db2.gz WFBIISRDDFYRMM-UHFFFAOYSA-N 0 0 449.359 5.212 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)C4(c5ccccc5)CCCC4)ccc3o2)cc1Cl ZINC000010372785 556333853 /nfs/dbraw/zinc/33/38/53/556333853.db2.gz QSVPONIQPXBLQI-UHFFFAOYSA-N 0 0 446.934 6.607 40 0 IKABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000010444102 556334981 /nfs/dbraw/zinc/33/49/81/556334981.db2.gz CBZFTVXXJDUVLK-UHFFFAOYSA-N 0 0 439.964 6.370 40 0 IKABRN CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O ZINC000214605850 556336343 /nfs/dbraw/zinc/33/63/43/556336343.db2.gz BJTXCSKNIIPAQR-WOJGMQOQSA-N 0 0 432.339 5.393 40 0 IKABRN O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccccc1Br ZINC000010542824 556336502 /nfs/dbraw/zinc/33/65/02/556336502.db2.gz URUWQGRPYSBBGO-UHFFFAOYSA-N 0 0 432.770 6.647 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3OCCOc3ccccc3)C2=O)c1 ZINC000214638619 556338192 /nfs/dbraw/zinc/33/81/92/556338192.db2.gz ZAOHYCDCNVYNSI-JJIBRWJFSA-N 0 0 445.540 5.689 40 0 IKABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O)Nc1ccccc1 ZINC000214662459 556339516 /nfs/dbraw/zinc/33/95/16/556339516.db2.gz NSSZGLROEVVUSA-XDHOZWIPSA-N 0 0 438.892 5.275 40 0 IKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Cc2ccncc2)cc1 ZINC000011561074 556341896 /nfs/dbraw/zinc/34/18/96/556341896.db2.gz GMPWYUQBSVSKHL-UHFFFAOYSA-N 0 0 431.717 5.106 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000013964920 556350043 /nfs/dbraw/zinc/35/00/43/556350043.db2.gz DKPXYYVDCKHLLS-UHFFFAOYSA-N 0 0 430.891 5.984 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000014009316 556354198 /nfs/dbraw/zinc/35/41/98/556354198.db2.gz IIFMUEINZFLMNC-UHFFFAOYSA-N 0 0 442.603 5.431 40 0 IKABRN O=C1c2ccccc2[C@@]2(O)[C@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000037259937 556377904 /nfs/dbraw/zinc/37/79/04/556377904.db2.gz XIHNGQBYDVKORK-LCFSQTHNSA-N 0 0 432.519 5.156 40 0 IKABRN O=S(=O)(Nc1ccc2[nH]nc(Cl)c2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004352773 556408847 /nfs/dbraw/zinc/40/88/47/556408847.db2.gz GRGGGWAQBJFQCE-UHFFFAOYSA-N 0 0 443.756 5.055 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(SCc2ccccc2)s1 ZINC000014582659 556428748 /nfs/dbraw/zinc/42/87/48/556428748.db2.gz PJNRPGRFIZNRGH-UHFFFAOYSA-N 0 0 426.350 5.155 40 0 IKABRN O=C(c1c2ccccc2n(C(=O)c2ccccc2)c1C[C@@H](O)c1cccnc1)c1ccccc1 ZINC000013000767 556433145 /nfs/dbraw/zinc/43/31/45/556433145.db2.gz BMAMBNTZRPGRTE-AREMUKBSSA-N 0 0 446.506 5.232 40 0 IKABRN COc1cccc(C(c2c(O)ccc3ccccc32)c2c(O)ccc3ccccc32)c1OC ZINC000039379117 556434917 /nfs/dbraw/zinc/43/49/17/556434917.db2.gz HPTKYQHRIUQVLQ-UHFFFAOYSA-N 0 0 436.507 6.602 40 0 IKABRN CCCCCCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2ncnn21 ZINC000039427738 556434960 /nfs/dbraw/zinc/43/49/60/556434960.db2.gz FYWVDSRKUZVQAT-QHCPKHFHSA-N 0 0 431.540 5.165 40 0 IKABRN CCCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 ZINC000039427771 556435175 /nfs/dbraw/zinc/43/51/75/556435175.db2.gz IBAUGCWVSWQYMK-QHCPKHFHSA-N 0 0 431.540 5.083 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000027918248 556435621 /nfs/dbraw/zinc/43/56/21/556435621.db2.gz VSJFKFGARZSHFF-UHFFFAOYSA-N 0 0 437.392 5.491 40 0 IKABRN O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039763651 556436583 /nfs/dbraw/zinc/43/65/83/556436583.db2.gz UTVLCWBKKORVBA-UHFFFAOYSA-N 0 0 441.399 5.253 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000039768542 556437454 /nfs/dbraw/zinc/43/74/54/556437454.db2.gz GENBUWIYKDZGTI-UHFFFAOYSA-N 0 0 444.516 5.027 40 0 IKABRN O=C(/C=C/c1cccs1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000039772430 556437765 /nfs/dbraw/zinc/43/77/65/556437765.db2.gz ASYYGZFXGSBHGF-OUKQBFOZSA-N 0 0 432.530 5.171 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039742669 556438073 /nfs/dbraw/zinc/43/80/73/556438073.db2.gz MKQBBHNNYXPCPH-UHFFFAOYSA-N 0 0 449.275 6.002 40 0 IKABRN O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000039755666 556439476 /nfs/dbraw/zinc/43/94/76/556439476.db2.gz VUTBFXZSVJGYLN-UHFFFAOYSA-N 0 0 434.455 5.394 40 0 IKABRN Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000037100516 556440257 /nfs/dbraw/zinc/44/02/57/556440257.db2.gz DYBPQEIEBDTVKP-AREMUKBSSA-N 0 0 427.523 5.362 40 0 IKABRN CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 ZINC000013026684 556440526 /nfs/dbraw/zinc/44/05/26/556440526.db2.gz MEHADVLLTWUHQN-DEOSSOPVSA-N 0 0 434.536 5.439 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000014833501 556448806 /nfs/dbraw/zinc/44/88/06/556448806.db2.gz QUWHHDPLTUIAOM-MKMNVTDBSA-N 0 0 440.952 5.410 40 0 IKABRN S=C1N=NC(Cc2ccccc2Nc2c(Cl)cccc2Cl)N1c1ccccc1 ZINC000028294941 556451021 /nfs/dbraw/zinc/45/10/21/556451021.db2.gz AVICYJKZILGYLW-UHFFFAOYSA-N 0 0 427.360 6.197 40 0 IKABRN COC(=O)c1ccc(Nc2nc3c(s2)CCc2c(Br)ccc(OC)c2-3)cc1 ZINC000408883165 556473034 /nfs/dbraw/zinc/47/30/34/556473034.db2.gz RTARMZJMTFEINI-UHFFFAOYSA-N 0 0 445.338 5.210 40 0 IKABRN COc1ccc2c(c1)CCc1sc(Nc3ccc(I)cc3)nc1-2 ZINC000408886586 556473929 /nfs/dbraw/zinc/47/39/29/556473929.db2.gz KPNGHOTYPKDLFS-UHFFFAOYSA-N 0 0 434.302 5.266 40 0 IKABRN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(c2ccccc2F)CC1 ZINC000029488398 556476363 /nfs/dbraw/zinc/47/63/63/556476363.db2.gz OYBZPTNNBYVSHH-UHFFFAOYSA-N 0 0 427.479 5.110 40 0 IKABRN COc1ccc(CCNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1OC ZINC000029506904 556476908 /nfs/dbraw/zinc/47/69/08/556476908.db2.gz FHFBXVVIPAWRNB-UHFFFAOYSA-N 0 0 446.478 5.137 40 0 IKABRN O=C(Nc1ccc(Br)c(Br)c1)c1cccc(Br)c1 ZINC000015014078 556484510 /nfs/dbraw/zinc/48/45/10/556484510.db2.gz TTZSFQVVANRZIC-UHFFFAOYSA-N 0 0 433.925 5.226 40 0 IKABRN O=C1NC(=Cc2ccccc2Sc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000015013436 556484530 /nfs/dbraw/zinc/48/45/30/556484530.db2.gz XYFJFHAMNQSPHX-XDHOZWIPSA-N 0 0 441.339 6.242 40 0 IKABRN Clc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000015015674 556484869 /nfs/dbraw/zinc/48/48/69/556484869.db2.gz DQYALQZHEVSAKS-NRFANRHFSA-N 0 0 432.936 5.987 40 0 IKABRN O=C(NCCSc1ccc(Cl)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408908566 556494020 /nfs/dbraw/zinc/49/40/20/556494020.db2.gz WHQKVOPIBHTCAP-LTGZKZEYSA-N 0 0 428.384 6.443 40 0 IKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000408907199 556494491 /nfs/dbraw/zinc/49/44/91/556494491.db2.gz MJYBKJCWKJXTFF-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN O=C(Nc1c(-c2nc3ccccc3[nH]2)sc(=S)n1-c1ccccc1)c1ccccc1 ZINC000013220285 556498967 /nfs/dbraw/zinc/49/89/67/556498967.db2.gz POXQBCXFEVHDMD-UHFFFAOYSA-N 0 0 428.542 6.064 40 0 IKABRN Clc1ccc([C@H](CCOc2ccccc2Br)Cn2ccnc2)c(Cl)c1 ZINC000013207467 556499033 /nfs/dbraw/zinc/49/90/33/556499033.db2.gz PPLWPROWGNAGPZ-CQSZACIVSA-N 0 0 440.168 6.205 40 0 IKABRN Cc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c(C)c1 ZINC000013226952 556499584 /nfs/dbraw/zinc/49/95/84/556499584.db2.gz TZXJDGYNUCFJFW-JOCHJYFZSA-N 0 0 444.579 5.144 40 0 IKABRN COc1ccc(-c2nnc3sc(-c4cc(-c5ccccc5)nc5ccccc54)nn32)cc1 ZINC000015081019 556500981 /nfs/dbraw/zinc/50/09/81/556500981.db2.gz ITPWGHCYHKMEOD-UHFFFAOYSA-N 0 0 435.512 5.744 40 0 IKABRN CCCOc1cc(C)c2cc(Cc3cc(C)c4nc(OCCC)cc(C)c4c3)cc(C)c2n1 ZINC000013283034 556501734 /nfs/dbraw/zinc/50/17/34/556501734.db2.gz PCDOZTOCQXJTQM-UHFFFAOYSA-N 0 0 442.603 7.185 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)cc1C ZINC000030753715 556503836 /nfs/dbraw/zinc/50/38/36/556503836.db2.gz QRIGKTXOYSXGHV-DEOSSOPVSA-N 0 0 448.588 5.220 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Sc1ccccc1 ZINC000030755111 556504449 /nfs/dbraw/zinc/50/44/49/556504449.db2.gz CEXZSJYWPOMJKC-UHFFFAOYSA-N 0 0 434.413 7.017 40 0 IKABRN CC/C(=C\[C@H](c1cccs1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1 ZINC000013407060 556504771 /nfs/dbraw/zinc/50/47/71/556504771.db2.gz SEXHIDRHLJITLC-RFJJORBGSA-N 0 0 433.617 6.085 40 0 IKABRN CC/C(=C\[C@@H](c1cccs1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1 ZINC000013407064 556504918 /nfs/dbraw/zinc/50/49/18/556504918.db2.gz SEXHIDRHLJITLC-VYNOCKSYSA-N 0 0 433.617 6.085 40 0 IKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000030758167 556505135 /nfs/dbraw/zinc/50/51/35/556505135.db2.gz QZSWZAQECBEQBZ-LJQANCHMSA-N 0 0 428.381 5.209 40 0 IKABRN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408919371 556505548 /nfs/dbraw/zinc/50/55/48/556505548.db2.gz WZQOOGNSKUDFHM-LQDNNDEMSA-N 0 0 434.322 5.396 40 0 IKABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1 ZINC000408919332 556505572 /nfs/dbraw/zinc/50/55/72/556505572.db2.gz WNABOGRRIFDPPN-ZCOIRKDISA-N 0 0 443.930 5.223 40 0 IKABRN Cc1nn(C)cc1-c1nn(-c2cc(Cl)cc(Cl)c2)c(-c2cn(C)nc2C)c1Cl ZINC000036611588 556507201 /nfs/dbraw/zinc/50/72/01/556507201.db2.gz ONASNLRKHJYSPI-UHFFFAOYSA-N 0 0 435.746 5.250 40 0 IKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000030847901 556507787 /nfs/dbraw/zinc/50/77/87/556507787.db2.gz QELBBSGXEWJLBI-SFHVURJKSA-N 0 0 438.549 5.017 40 0 IKABRN Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1 ZINC000013497808 556509102 /nfs/dbraw/zinc/50/91/02/556509102.db2.gz RAYHCJFUNRDJOW-VWLOTQADSA-N 0 0 447.604 5.136 40 0 IKABRN CCCCc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1ccccc1 ZINC000013502039 556509489 /nfs/dbraw/zinc/50/94/89/556509489.db2.gz KJLFORCDZYUTEH-UHFFFAOYSA-N 0 0 447.970 6.428 40 0 IKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030854677 556509782 /nfs/dbraw/zinc/50/97/82/556509782.db2.gz KLPDCGGYTZPLHL-IBGZPJMESA-N 0 0 442.934 5.578 40 0 IKABRN CC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(OC)cc1 ZINC000030855305 556510274 /nfs/dbraw/zinc/51/02/74/556510274.db2.gz UAAQKYHRZKXQPJ-IBGZPJMESA-N 0 0 428.326 5.257 40 0 IKABRN COc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000030859033 556510744 /nfs/dbraw/zinc/51/07/44/556510744.db2.gz RYWYWUVFWCCVLJ-SFHVURJKSA-N 0 0 431.532 5.630 40 0 IKABRN COc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1OC ZINC000030859283 556510759 /nfs/dbraw/zinc/51/07/59/556510759.db2.gz YHAVWNZNCCOBSN-SFHVURJKSA-N 0 0 437.561 5.366 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2Cl)cc1 ZINC000030860951 556510951 /nfs/dbraw/zinc/51/09/51/556510951.db2.gz YDQDHSDXMUJYIG-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN COC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2OC2CCCC2)cc1 ZINC000036612793 556511039 /nfs/dbraw/zinc/51/10/39/556511039.db2.gz ZLXOXHGJVWHURN-VWLOTQADSA-N 0 0 442.515 5.566 40 0 IKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000030862944 556511675 /nfs/dbraw/zinc/51/16/75/556511675.db2.gz KMKVNOIKIOGGSZ-NRFANRHFSA-N 0 0 443.587 6.546 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccccc3Br)c2)cc1 ZINC000030868278 556512829 /nfs/dbraw/zinc/51/28/29/556512829.db2.gz BPBIIWLYHDRNRT-UHFFFAOYSA-N 0 0 436.349 6.230 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)c(Cl)c2)cc1 ZINC000030868839 556513137 /nfs/dbraw/zinc/51/31/37/556513137.db2.gz KGUYARIYCJGLQZ-INIZCTEOSA-N 0 0 440.952 5.041 40 0 IKABRN Nc1c(C(=O)NCCc2ccccc2)sc(=S)n1-c1ccc(Oc2ccccc2)cc1 ZINC000013547263 556514214 /nfs/dbraw/zinc/51/42/14/556514214.db2.gz CSPHYXBNFSBIQN-UHFFFAOYSA-N 0 0 447.585 5.615 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000030938715 556515597 /nfs/dbraw/zinc/51/55/97/556515597.db2.gz FIXFGVJOOSVXQB-UHFFFAOYSA-N 0 0 432.178 6.151 40 0 IKABRN CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000030940386 556516238 /nfs/dbraw/zinc/51/62/38/556516238.db2.gz IGJMMWPBMYCLCS-UHFFFAOYSA-N 0 0 431.374 5.087 40 0 IKABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000030943272 556516603 /nfs/dbraw/zinc/51/66/03/556516603.db2.gz UPIHGQSWZLBJJH-UHFFFAOYSA-N 0 0 429.907 5.377 40 0 IKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000030945417 556517279 /nfs/dbraw/zinc/51/72/79/556517279.db2.gz ADGOVKLEAGOYRF-CYBMUJFWSA-N 0 0 432.178 6.151 40 0 IKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 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Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3Nc3ccccc3)n2)cc1 ZINC000032124938 556534085 /nfs/dbraw/zinc/53/40/85/556534085.db2.gz FQLPCFJLJKNFCO-UHFFFAOYSA-N 0 0 443.528 5.658 40 0 IKABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000032126314 556535162 /nfs/dbraw/zinc/53/51/62/556535162.db2.gz WBOFDCLMPRTZDO-UHFFFAOYSA-N 0 0 448.519 5.606 40 0 IKABRN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1cc(Cl)ccc1Cl ZINC000032126423 556535411 /nfs/dbraw/zinc/53/54/11/556535411.db2.gz ORMKGPWCZLVQSK-UHFFFAOYSA-N 0 0 433.294 7.207 40 0 IKABRN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc(-c2ccccc2)cc1 ZINC000032126517 556535429 /nfs/dbraw/zinc/53/54/29/556535429.db2.gz PRAJPLSAQIJSDO-UHFFFAOYSA-N 0 0 440.502 7.567 40 0 IKABRN Cc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)ccc1Br ZINC000015583327 556535952 /nfs/dbraw/zinc/53/59/52/556535952.db2.gz DZKZINZFEINCTH-UHFFFAOYSA-N 0 0 438.734 5.192 40 0 IKABRN O=C(COc1cccc2ccccc21)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000032127178 556535967 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IKABRN O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 ZINC000013634447 556540155 /nfs/dbraw/zinc/54/01/55/556540155.db2.gz RLDWACRDSGTDEF-ZDUSSCGKSA-N 0 0 426.954 5.044 40 0 IKABRN O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4cccc5ccccc54)nn3cc21 ZINC000013634450 556540165 /nfs/dbraw/zinc/54/01/65/556540165.db2.gz QZEUMUWJTBMPMZ-KRWDZBQOSA-N 0 0 442.569 5.544 40 0 IKABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc(OCCC(C)C)cc2)C1C(=O)OCC ZINC000013634692 556540531 /nfs/dbraw/zinc/54/05/31/556540531.db2.gz WQAQCZGKPWKIBR-VWLOTQADSA-N 0 0 447.579 6.093 40 0 IKABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(OCCC(C)C)cc2)C1C(=O)OCC ZINC000013634686 556540614 /nfs/dbraw/zinc/54/06/14/556540614.db2.gz WQAQCZGKPWKIBR-RUZDIDTESA-N 0 0 447.579 6.093 40 0 IKABRN O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1Cc1ccc2c(c1)OCO2 ZINC000013637379 556541653 /nfs/dbraw/zinc/54/16/53/556541653.db2.gz PEOSTSAMXUTVFM-UHFFFAOYSA-N 0 0 432.479 5.508 40 0 IKABRN C[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013648600 556545105 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O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000013677627 556555159 /nfs/dbraw/zinc/55/51/59/556555159.db2.gz GQSFCRLLNIXFDZ-FQEVSTJZSA-N 0 0 446.572 5.140 40 0 IKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(I)c1 ZINC000033537061 556565589 /nfs/dbraw/zinc/56/55/89/556565589.db2.gz XOCSNHJEFTWSBL-UHFFFAOYSA-N 0 0 426.468 5.504 40 0 IKABRN CCOC(=O)[C@@H]1C(=O)Oc2ccccc2[C@H]1[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000033821791 556568070 /nfs/dbraw/zinc/56/80/70/556568070.db2.gz HCCASHTVIJTISL-XPWALMASSA-N 0 0 448.902 5.189 40 0 IKABRN CCOC(=O)[C@H]1C(=O)Oc2ccccc2[C@H]1[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000033821790 556568172 /nfs/dbraw/zinc/56/81/72/556568172.db2.gz HCCASHTVIJTISL-VJBWXMMDSA-N 0 0 448.902 5.189 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000015960953 556569403 /nfs/dbraw/zinc/56/94/03/556569403.db2.gz PYEULDOPTJKFNF-UHFFFAOYSA-N 0 0 449.016 5.282 40 0 IKABRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(C(C)C)c1 ZINC000033933985 556569650 /nfs/dbraw/zinc/56/96/50/556569650.db2.gz NUVRXXQACYCHBL-UHFFFAOYSA-N 0 0 446.632 5.707 40 0 IKABRN COc1ccccc1/C=C1\N=C(c2sc3c(ccc(OC)c3Cl)c2Cl)OC1=O ZINC000408968990 556579623 /nfs/dbraw/zinc/57/96/23/556579623.db2.gz FIYXMSGBSOYORK-XFXZXTDPSA-N 0 0 434.300 5.570 40 0 IKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(CNC(=O)c5cc(Cl)cc(Cl)c5)(C4)C2)C3)cc1 ZINC000016134297 556584891 /nfs/dbraw/zinc/58/48/91/556584891.db2.gz PMPBQIRTDPERNY-FLCJAFJVSA-N 0 0 428.403 6.570 40 0 IKABRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1c(Cl)cccc1Cl ZINC000016196268 556590478 /nfs/dbraw/zinc/59/04/78/556590478.db2.gz BDNXHUWMMFWCPA-UHFFFAOYSA-N 0 0 446.330 5.569 40 0 IKABRN Cc1c2ccccc2oc1C(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000016266659 556595614 /nfs/dbraw/zinc/59/56/14/556595614.db2.gz UGTXENPLLUENHI-UHFFFAOYSA-N 0 0 437.282 7.109 40 0 IKABRN Cc1cc(Br)cc(Br)c1NC(=O)Nc1cccc2ccccc21 ZINC000016269485 556596299 /nfs/dbraw/zinc/59/62/99/556596299.db2.gz YDSNIRLFMQPASK-UHFFFAOYSA-N 0 0 434.131 6.317 40 0 IKABRN Cc1cc2sc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Cl ZINC000016284224 556596952 /nfs/dbraw/zinc/59/69/52/556596952.db2.gz HUXHJPKBJUPTBI-UHFFFAOYSA-N 0 0 447.741 6.533 40 0 IKABRN Cc1cc2nc(COc3ccccc3C=O)c(COc3ccccc3C=O)nc2cc1C ZINC000016284169 556597017 /nfs/dbraw/zinc/59/70/17/556597017.db2.gz IZARVDJRIQKGMX-UHFFFAOYSA-N 0 0 426.472 5.030 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cccc2ccccc21 ZINC000016284489 556597191 /nfs/dbraw/zinc/59/71/91/556597191.db2.gz PWJPMLDEFKBRFB-UHFFFAOYSA-N 0 0 428.495 6.288 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)nc2cc1Cl ZINC000016284297 556597196 /nfs/dbraw/zinc/59/71/96/556597196.db2.gz GXJWSQBIPWOILF-UHFFFAOYSA-N 0 0 437.977 6.052 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccccc3Br)nc2cc1Cl ZINC000016284325 556597201 /nfs/dbraw/zinc/59/72/01/556597201.db2.gz SBRPOPCWRMKZOQ-UHFFFAOYSA-N 0 0 440.775 5.147 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)nc2cc1Cl ZINC000016284315 556597226 /nfs/dbraw/zinc/59/72/26/556597226.db2.gz UNYIUJWCQCIQNI-UHFFFAOYSA-N 0 0 433.986 5.420 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)nc2cc1Cl ZINC000016284299 556597234 /nfs/dbraw/zinc/59/72/34/556597234.db2.gz CTLPCINXJIVPNY-UHFFFAOYSA-N 0 0 430.769 5.692 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc(Br)c3)nc2cc1Cl ZINC000016284308 556597236 /nfs/dbraw/zinc/59/72/36/556597236.db2.gz RBXFGTWEHAYYMS-UHFFFAOYSA-N 0 0 440.775 5.147 40 0 IKABRN Cc1ccc(NC(=O)NC[C@H]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3C)C2)c(C)c1 ZINC000016284960 556597505 /nfs/dbraw/zinc/59/75/05/556597505.db2.gz XNWRFHDOMHALSH-VXKWHMMOSA-N 0 0 436.600 5.670 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000036610877 556598429 /nfs/dbraw/zinc/59/84/29/556598429.db2.gz TWKMCDHWTSQHIJ-POGVWIKGSA-N 0 0 442.640 6.922 40 0 IKABRN COc1ccc(S[C@H](CC(=O)c2ccc(C)c(C)c2)c2ccc(Cl)cc2)cc1OC ZINC000016311914 556599749 /nfs/dbraw/zinc/59/97/49/556599749.db2.gz RCSAQOQTINWBMH-RUZDIDTESA-N 0 0 440.992 7.080 40 0 IKABRN Cc1ccc(NC(=O)NC[C@@H]2C[C@H](CNC(=O)Nc3ccc(C)c(C)c3)C2(C)C)cc1C ZINC000016312494 556599841 /nfs/dbraw/zinc/59/98/41/556599841.db2.gz RGFFSHQHUIVXTQ-OYRHEFFESA-N 0 0 436.600 5.526 40 0 IKABRN Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1C ZINC000016311897 556599852 /nfs/dbraw/zinc/59/98/52/556599852.db2.gz IOHRRUFKGABSJZ-AREMUKBSSA-N 0 0 432.995 6.093 40 0 IKABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100901254 556599938 /nfs/dbraw/zinc/59/99/38/556599938.db2.gz IBKYNEFOMSOAHD-ACRUOGEOSA-N 0 0 439.298 5.045 40 0 IKABRN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000016322984 556600629 /nfs/dbraw/zinc/60/06/29/556600629.db2.gz BXBBJVPLEYLWRP-UHFFFAOYSA-N 0 0 431.772 5.777 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Cl)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408972151 556601176 /nfs/dbraw/zinc/60/11/76/556601176.db2.gz SVAHPCAIGRHQEM-UHFFFAOYSA-N 0 0 425.551 7.421 40 0 IKABRN Cc1ccc2[nH]c(SCc3ccccc3CSc3nc4cc(C)ccc4[nH]3)nc2c1 ZINC000016348348 556601835 /nfs/dbraw/zinc/60/18/35/556601835.db2.gz RODKCKKKJDHHHX-UHFFFAOYSA-N 0 0 430.602 6.641 40 0 IKABRN Cc1ccccc1C(=O)Sc1nc(-c2ccc(Cl)cc2)sc1Nc1ccccc1 ZINC000016362629 556603144 /nfs/dbraw/zinc/60/31/44/556603144.db2.gz CPRTVRKCSYVGMI-UHFFFAOYSA-N 0 0 436.989 7.448 40 0 IKABRN O=C(NCCCNC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000016399360 556605291 /nfs/dbraw/zinc/60/52/91/556605291.db2.gz OJFQOSDFQACDIQ-UHFFFAOYSA-N 0 0 448.367 5.058 40 0 IKABRN S=C(Nc1ccc(Cl)cc1)N1CCCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000016428541 556607057 /nfs/dbraw/zinc/60/70/57/556607057.db2.gz CYFZGWSHTSTZLO-UHFFFAOYSA-N 0 0 439.437 5.095 40 0 IKABRN O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccc(Cl)s1 ZINC000016430783 556607530 /nfs/dbraw/zinc/60/75/30/556607530.db2.gz SGFAXFFAJGQLJM-UHFFFAOYSA-N 0 0 431.844 5.672 40 0 IKABRN O=C(Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1ccccc1Cl ZINC000016449348 556608982 /nfs/dbraw/zinc/60/89/82/556608982.db2.gz QVJDZELDLBBHSH-UHFFFAOYSA-N 0 0 438.739 6.096 40 0 IKABRN Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2Cl)c(Cl)c1 ZINC000016449714 556609182 /nfs/dbraw/zinc/60/91/82/556609182.db2.gz FCMGZGBDNNPPQD-UHFFFAOYSA-N 0 0 441.185 7.169 40 0 IKABRN O=C(Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1)c1ccc(Br)cc1 ZINC000016477980 556610911 /nfs/dbraw/zinc/61/09/11/556610911.db2.gz MMQCSHHCMPKGCR-ZHZULCJRSA-N 0 0 448.272 5.013 40 0 IKABRN c1ccc(C2=NN(c3ccccc3)[C@@]3(NN=C(c4ccccc4)c4ccccc43)S2)cc1 ZINC000016478076 556610963 /nfs/dbraw/zinc/61/09/63/556610963.db2.gz LUPVPOWUSCDGSU-HHHXNRCGSA-N 0 0 432.552 5.768 40 0 IKABRN O=c1c2ccccc2nc(COc2ccc(Cl)cc2Cl)n1CCc1ccccc1 ZINC000016479417 556611157 /nfs/dbraw/zinc/61/11/57/556611157.db2.gz ZUEZJLBFUZPARI-UHFFFAOYSA-N 0 0 425.315 5.525 40 0 IKABRN N=C1S[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000016478198 556611235 /nfs/dbraw/zinc/61/12/35/556611235.db2.gz MREHBNKRCIYRIK-CTNGQTDRSA-N 0 0 437.362 5.930 40 0 IKABRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000016480383 556611384 /nfs/dbraw/zinc/61/13/84/556611384.db2.gz KAXFTTLDVRFDLD-UHFFFAOYSA-N 0 0 445.588 5.383 40 0 IKABRN O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1cccc(Cl)c1 ZINC000408972948 556611682 /nfs/dbraw/zinc/61/16/82/556611682.db2.gz XEVCEFYMPZKUIY-XGICHPGQSA-N 0 0 443.138 6.859 40 0 IKABRN O=C(NCCN(C(=O)Nc1ccccc1Cl)c1ccccc1)Nc1ccccc1Cl ZINC000016487796 556611724 /nfs/dbraw/zinc/61/17/24/556611724.db2.gz FXCWZRJNAAISSD-UHFFFAOYSA-N 0 0 443.334 5.854 40 0 IKABRN O=C(Nc1ccc2c(c1)S(=O)(=O)c1ccccc1O2)N(c1ccccc1)c1ccccc1 ZINC000016487999 556611941 /nfs/dbraw/zinc/61/19/41/556611941.db2.gz JYAKHEBZGJJXPT-UHFFFAOYSA-N 0 0 442.496 5.995 40 0 IKABRN Cc1cccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)c1 ZINC000100933976 556612037 /nfs/dbraw/zinc/61/20/37/556612037.db2.gz VCKMBHWNGBOGEH-CYXNTTPDSA-N 0 0 434.495 5.199 40 0 IKABRN CC(=O)O[C@@H]1C[C@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]12 ZINC000078567969 556612094 /nfs/dbraw/zinc/61/20/94/556612094.db2.gz MRVPOLGRRKLUQS-JFVAMVLKSA-N 0 0 430.717 8.039 40 0 IKABRN Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1C ZINC000100934281 556612132 /nfs/dbraw/zinc/61/21/32/556612132.db2.gz DJOYRLBCLJOQFF-PFBJBMPXSA-N 0 0 448.522 5.508 40 0 IKABRN S=C(Nc1ccccc1)Nc1cc(Cl)c(NC(=S)Nc2ccccc2)cc1Cl ZINC000016489991 556612318 /nfs/dbraw/zinc/61/23/18/556612318.db2.gz RVPHWJKHXIVCEV-UHFFFAOYSA-N 0 0 447.416 6.611 40 0 IKABRN O=C(c1ccco1)c1noc(-c2cccc3ccccc32)c1S(=O)(=O)c1ccccc1 ZINC000016491586 556612576 /nfs/dbraw/zinc/61/25/76/556612576.db2.gz KPFRVFGPHQAHII-UHFFFAOYSA-N 0 0 429.453 5.152 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000038398747 556612666 /nfs/dbraw/zinc/61/26/66/556612666.db2.gz XUGISPSHIFXEHZ-FDTCTUJQSA-N 0 0 428.701 7.960 40 0 in-vitro IKABRN O=C(Sc1nc(-c2cc3ccccc3oc2=O)cs1)c1cccc(C(F)(F)F)c1 ZINC000016525629 556613981 /nfs/dbraw/zinc/61/39/81/556613981.db2.gz YHHZNEBOMMPNKS-UHFFFAOYSA-N 0 0 433.432 5.868 40 0 IKABRN O=C(Nc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1)c1cccc(Cl)c1Cl ZINC000016526131 556614357 /nfs/dbraw/zinc/61/43/57/556614357.db2.gz UITZRKCVVKNVED-UHFFFAOYSA-N 0 0 433.294 7.207 40 0 IKABRN COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccccc1Cl ZINC000408975149 556615643 /nfs/dbraw/zinc/61/56/43/556615643.db2.gz IKDJPQKTGREREG-BKUYFWCQSA-N 0 0 433.891 5.581 40 0 IKABRN COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408974936 556615658 /nfs/dbraw/zinc/61/56/58/556615658.db2.gz GDVXXJYUDWWBLF-BKUYFWCQSA-N 0 0 433.891 5.581 40 0 IKABRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c(Cl)c1Cl ZINC000038752081 556615840 /nfs/dbraw/zinc/61/58/40/556615840.db2.gz WSDBXKYRYBZDOB-NRFANRHFSA-N 0 0 436.360 5.378 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@H](C)c3ccc(F)cc3)c2)cc1 ZINC000038755174 556617526 /nfs/dbraw/zinc/61/75/26/556617526.db2.gz DPONEJHGORCLHV-OAHLLOKOSA-N 0 0 446.931 5.079 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)cc2)cc1 ZINC000038755748 556617802 /nfs/dbraw/zinc/61/78/02/556617802.db2.gz CBSZENWEBLUCPB-NDEPHWFRSA-N 0 0 437.608 7.115 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 ZINC000016610884 556617855 /nfs/dbraw/zinc/61/78/55/556617855.db2.gz JHQXSZHMEHCGAI-SFHVURJKSA-N 0 0 428.532 7.048 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nc2c1 ZINC000016610876 556617861 /nfs/dbraw/zinc/61/78/61/556617861.db2.gz CAFSBVIKCYLGTK-HNNXBMFYSA-N 0 0 449.348 7.023 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000016610849 556617875 /nfs/dbraw/zinc/61/78/75/556617875.db2.gz FZDDAWRPLVVRLY-CQSZACIVSA-N 0 0 439.342 7.567 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)Cc4ccccc4)c3)nc2c1 ZINC000016611039 556618086 /nfs/dbraw/zinc/61/80/86/556618086.db2.gz GYYPXJNDFGSTHF-KRWDZBQOSA-N 0 0 443.572 6.064 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(F)c4)c3)nc2c1 ZINC000016611195 556618110 /nfs/dbraw/zinc/61/81/10/556618110.db2.gz ONPWGFKULIPBJY-OAHLLOKOSA-N 0 0 447.535 6.274 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4F)c3)nc2c1 ZINC000016611253 556618124 /nfs/dbraw/zinc/61/81/24/556618124.db2.gz FICGUGZDWXHWBG-OAHLLOKOSA-N 0 0 447.535 6.274 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000038772233 556619251 /nfs/dbraw/zinc/61/92/51/556619251.db2.gz ZOTQSRBTICZACK-VWLOTQADSA-N 0 0 448.613 5.825 40 0 IKABRN CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccccc1Cl ZINC000408976067 556619992 /nfs/dbraw/zinc/61/99/92/556619992.db2.gz PAZDLAXFUISADJ-HMAPJEAMSA-N 0 0 447.918 5.971 40 0 IKABRN COCc1nn2c(ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1-c1ccccc1 ZINC000038829705 556621045 /nfs/dbraw/zinc/62/10/45/556621045.db2.gz ASWHUJKBHQHYRU-UHFFFAOYSA-N 0 0 440.425 5.122 40 0 IKABRN O=C(Nc1cccc(Br)c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038833938 556622037 /nfs/dbraw/zinc/62/20/37/556622037.db2.gz BIUBGRCRLFYZCX-ZDUSSCGKSA-N 0 0 442.184 5.607 40 0 IKABRN O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038833949 556622096 /nfs/dbraw/zinc/62/20/96/556622096.db2.gz GFQWEJVWZVQHLQ-UHFFFAOYSA-N 0 0 442.184 5.607 40 0 IKABRN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038834011 556622498 /nfs/dbraw/zinc/62/24/98/556622498.db2.gz NLWBVBHKNMSREO-UHFFFAOYSA-N 0 0 442.184 5.607 40 0 IKABRN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038833994 556622518 /nfs/dbraw/zinc/62/25/18/556622518.db2.gz XPJSCSSLZUKILL-CQSZACIVSA-N 0 0 442.184 5.607 40 0 IKABRN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038833995 556622530 /nfs/dbraw/zinc/62/25/30/556622530.db2.gz XPJSCSSLZUKILL-AWEZNQCLSA-N 0 0 442.184 5.607 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834465 556622548 /nfs/dbraw/zinc/62/25/48/556622548.db2.gz XFBXTOXHJPQRLW-KRWDZBQOSA-N 0 0 435.351 5.021 40 0 IKABRN O=C(Nc1ccccc1Br)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834903 556622774 /nfs/dbraw/zinc/62/27/74/556622774.db2.gz RMCADPXLRUYLMJ-UHFFFAOYSA-N 0 0 442.184 5.607 40 0 IKABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038834700 556622848 /nfs/dbraw/zinc/62/28/48/556622848.db2.gz HFOJDGCMNXHJMC-AWEZNQCLSA-N 0 0 431.285 5.863 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038835015 556623080 /nfs/dbraw/zinc/62/30/80/556623080.db2.gz YWERSXHKMHUYHW-GFCCVEGCSA-N 0 0 432.178 6.151 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038835516 556623094 /nfs/dbraw/zinc/62/30/94/556623094.db2.gz IUYZCZLSPNZXDJ-UHFFFAOYSA-N 0 0 432.178 6.151 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038835014 556623156 /nfs/dbraw/zinc/62/31/56/556623156.db2.gz YWERSXHKMHUYHW-LBPRGKRZSA-N 0 0 432.178 6.151 40 0 IKABRN CCN1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3OC)cc2Cl)CC1 ZINC000016681528 556623825 /nfs/dbraw/zinc/62/38/25/556623825.db2.gz KMKUDPVZGYADDU-UHFFFAOYSA-N 0 0 442.774 5.050 40 0 IKABRN O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038849806 556624442 /nfs/dbraw/zinc/62/44/42/556624442.db2.gz QQHGDFMKRCLOKX-UHFFFAOYSA-N 0 0 431.285 5.863 40 0 IKABRN O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038849808 556624496 /nfs/dbraw/zinc/62/44/96/556624496.db2.gz KMOUXDAVMJPSPI-UHFFFAOYSA-N 0 0 441.291 5.319 40 0 IKABRN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038850223 556624527 /nfs/dbraw/zinc/62/45/27/556624527.db2.gz UTAZOIGSWBWAMA-CYBMUJFWSA-N 0 0 427.759 5.506 40 0 IKABRN O=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000038850889 556624753 /nfs/dbraw/zinc/62/47/53/556624753.db2.gz PEJSKCFAXWXZSO-UHFFFAOYSA-N 0 0 445.434 5.687 40 0 IKABRN CCOc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688522 556626284 /nfs/dbraw/zinc/62/62/84/556626284.db2.gz PKQDVUADVUYZKB-UHFFFAOYSA-N 0 0 443.902 5.445 40 0 IKABRN CCOc1ccc(-n2c(C)nnc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000016692076 556627356 /nfs/dbraw/zinc/62/73/56/556627356.db2.gz QMLIVWDCPQEQHG-UHFFFAOYSA-N 0 0 431.539 6.975 40 0 IKABRN CCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1Cl ZINC000016692382 556627624 /nfs/dbraw/zinc/62/76/24/556627624.db2.gz QTABFTWAGAYWAZ-UHFFFAOYSA-N 0 0 440.377 5.437 40 0 IKABRN O=C(c1ccccc1)N1CCC(NC(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000016705140 556629722 /nfs/dbraw/zinc/62/97/22/556629722.db2.gz NTTUPUVOGAPJHR-UHFFFAOYSA-N 0 0 431.561 5.070 40 0 IKABRN Cc1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2-c2ccc(C)cc2)cc1 ZINC000016711462 556630137 /nfs/dbraw/zinc/63/01/37/556630137.db2.gz QICGLPLJJTUFJY-RWEWTDSWSA-N 0 0 425.384 7.362 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)cc1 ZINC000408978158 556633534 /nfs/dbraw/zinc/63/35/34/556633534.db2.gz YMJKGAKXHPUINH-UHFFFAOYSA-N 0 0 427.460 6.293 40 0 IKABRN O=C(c1cc(-c2ccccn2)nc2ccccc21)N(Cc1ccccc1)Cc1ccccc1 ZINC000016740417 556634173 /nfs/dbraw/zinc/63/41/73/556634173.db2.gz CGHKEIRNFFTNAB-UHFFFAOYSA-N 0 0 429.523 6.139 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccccn2)nc2ccccc21 ZINC000016740446 556634318 /nfs/dbraw/zinc/63/43/18/556634318.db2.gz AWINRILWUMJLJX-UHFFFAOYSA-N 0 0 427.813 6.221 40 0 IKABRN Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1C ZINC000408978859 556634306 /nfs/dbraw/zinc/63/43/06/556634306.db2.gz NULSRNNTFRFTAO-UHFFFAOYSA-N 0 0 446.514 6.015 40 0 IKABRN CCOc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)cc1 ZINC000040385023 556635535 /nfs/dbraw/zinc/63/55/35/556635535.db2.gz XZWGMDLFQLCGRS-UHFFFAOYSA-N 0 0 449.942 5.528 40 0 IKABRN C[C@H]1Cc2ccccc2N1c1nc2ncn(-c3ccc4ccccc4c3)c(=S)c2c(=O)[nH]1 ZINC000040385812 556636078 /nfs/dbraw/zinc/63/60/78/556636078.db2.gz MJMIFCGBASSJGB-HNNXBMFYSA-N 0 0 437.528 5.074 40 0 IKABRN CCc1nn2c(ncc3c2ccn(CCc2c[nH]c4ccc(C)cc24)c3=O)c1-c1ccccc1 ZINC000040387903 556636355 /nfs/dbraw/zinc/63/63/55/556636355.db2.gz QIWSOKZHHVAKGO-UHFFFAOYSA-N 0 0 447.542 5.306 40 0 IKABRN CCc1nn2c(nnc3c2ccn([C@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395908 556638444 /nfs/dbraw/zinc/63/84/44/556638444.db2.gz JEKXOKWIBQTQDH-DOXZYTNZSA-N 0 0 435.959 5.319 40 0 IKABRN CCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395907 556638548 /nfs/dbraw/zinc/63/85/48/556638548.db2.gz JEKXOKWIBQTQDH-YZVOILCLSA-N 0 0 435.959 5.319 40 0 IKABRN C[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)c1ccccc1 ZINC000016757758 556639493 /nfs/dbraw/zinc/63/94/93/556639493.db2.gz HHLMFFQGUROXGY-GOSISDBHSA-N 0 0 441.987 7.594 40 0 IKABRN Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 ZINC000016757743 556639511 /nfs/dbraw/zinc/63/95/11/556639511.db2.gz YDBAJAKILHMUPZ-UHFFFAOYSA-N 0 0 441.987 7.342 40 0 IKABRN CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757749 556639526 /nfs/dbraw/zinc/63/95/26/556639526.db2.gz XPAKSDVBLIBQTH-HNNXBMFYSA-N 0 0 437.952 5.785 40 0 IKABRN Fc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 ZINC000016757767 556639643 /nfs/dbraw/zinc/63/96/43/556639643.db2.gz GXPVPSOUYHGFOP-UHFFFAOYSA-N 0 0 445.950 7.172 40 0 IKABRN CCc1nn2c(ncc3c2ccn([C@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397467 556639682 /nfs/dbraw/zinc/63/96/82/556639682.db2.gz QOGRGOCYMYDUNM-XFQAVAEZSA-N 0 0 434.971 5.924 40 0 IKABRN COCc1nn2c(ncc3c2ccn([C@@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397795 556639702 /nfs/dbraw/zinc/63/97/02/556639702.db2.gz IVMODVLVMXADID-FOIQADDNSA-N 0 0 436.943 5.262 40 0 IKABRN CCc1nn2c(ncc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397555 556639733 /nfs/dbraw/zinc/63/97/33/556639733.db2.gz XYLDWIBFTYMTDG-UHFFFAOYSA-N 0 0 434.952 5.231 40 0 IKABRN Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000016757900 556639755 /nfs/dbraw/zinc/63/97/55/556639755.db2.gz SNEMDLPTIGDSOX-UHFFFAOYSA-N 0 0 441.987 7.342 40 0 IKABRN COCc1nn2c(ncc3c2ccn([C@@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397797 556639747 /nfs/dbraw/zinc/63/97/47/556639747.db2.gz IVMODVLVMXADID-MGPUTAFESA-N 0 0 436.943 5.262 40 0 IKABRN COCc1nn2c(ncc3c2ccn([C@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397791 556639793 /nfs/dbraw/zinc/63/97/93/556639793.db2.gz IVMODVLVMXADID-QRWLVFNGSA-N 0 0 436.943 5.262 40 0 IKABRN Cc1cccc(C)c1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000016776845 556640405 /nfs/dbraw/zinc/64/04/05/556640405.db2.gz DGOYCDUBBISGKZ-HXUWFJFHSA-N 0 0 443.522 5.392 40 0 IKABRN COc1ccccc1-c1nnc(SCc2nc3ccccc3[nH]2)n1-c1ccc(Cl)cc1 ZINC000016789009 556641920 /nfs/dbraw/zinc/64/19/20/556641920.db2.gz HNIKQCZBHORVDA-UHFFFAOYSA-N 0 0 447.951 5.765 40 0 IKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000016788717 556641948 /nfs/dbraw/zinc/64/19/48/556641948.db2.gz OCVILBFYOCDGNI-UHFFFAOYSA-N 0 0 438.915 5.458 40 0 IKABRN Cc1cccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccc(Cl)cc2)c1 ZINC000016788967 556641952 /nfs/dbraw/zinc/64/19/52/556641952.db2.gz BHMCYBRUQMXFMC-UHFFFAOYSA-N 0 0 426.372 6.842 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1OC ZINC000016789003 556641962 /nfs/dbraw/zinc/64/19/62/556641962.db2.gz MOJMJXASGDHXMD-UHFFFAOYSA-N 0 0 437.352 5.011 40 0 IKABRN Cc1ccc(OCc2nnc(SCc3c(F)cccc3F)n2Cc2ccco2)cc1 ZINC000016789368 556642178 /nfs/dbraw/zinc/64/21/78/556642178.db2.gz ZDVLYXXNPXUNIE-UHFFFAOYSA-N 0 0 427.476 5.377 40 0 IKABRN COc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000016789057 556642189 /nfs/dbraw/zinc/64/21/89/556642189.db2.gz VKIZZXPZRXADBE-UHFFFAOYSA-N 0 0 435.936 5.571 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(OC)c1 ZINC000016789110 556642210 /nfs/dbraw/zinc/64/22/10/556642210.db2.gz PDRIUGUKWCGOOM-UHFFFAOYSA-N 0 0 437.352 5.011 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1 ZINC000016789499 556642502 /nfs/dbraw/zinc/64/25/02/556642502.db2.gz UTTOHYZRNVKTFZ-UHFFFAOYSA-N 0 0 435.940 5.022 40 0 IKABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c1 ZINC000016789501 556642513 /nfs/dbraw/zinc/64/25/13/556642513.db2.gz SCXRKTYLLMVGRB-UHFFFAOYSA-N 0 0 435.940 5.022 40 0 IKABRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2ccc(C(C)(C)C)cc2)n1 ZINC000040556431 556644746 /nfs/dbraw/zinc/64/47/46/556644746.db2.gz WTDGWRPBNDYFPZ-UHFFFAOYSA-N 0 0 428.627 6.601 40 0 IKABRN CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC[C@@H](C)OC(C)=O)OC(C)=O ZINC000016891756 556648160 /nfs/dbraw/zinc/64/81/60/556648160.db2.gz GXLLXKLCZRBGPM-RQZISMIDSA-N 0 0 440.621 6.060 40 0 IKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000080444472 556652014 /nfs/dbraw/zinc/65/20/14/556652014.db2.gz NTWLPZMPTFQYQI-AFWFLILISA-N 0 0 442.728 7.141 40 0 IKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000041021437 556652410 /nfs/dbraw/zinc/65/24/10/556652410.db2.gz UMHQELCFYSTHJR-UHFFFAOYSA-N 0 0 429.225 6.239 40 0 IKABRN CCc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101090329 556654459 /nfs/dbraw/zinc/65/44/59/556654459.db2.gz ZVBJMQNTKVGGNM-QKDODKLFSA-N 0 0 448.522 5.453 40 0 IKABRN O=C(Oc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1)c1ccc(Cl)cc1 ZINC000017086175 556657457 /nfs/dbraw/zinc/65/74/57/556657457.db2.gz HHACBMUKOGJHEK-UDWIEESQSA-N 0 0 438.266 5.557 40 0 IKABRN CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1 ZINC000017095953 556659581 /nfs/dbraw/zinc/65/95/81/556659581.db2.gz DOMXKJUYLUKQNZ-GOSISDBHSA-N 0 0 428.532 7.049 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 ZINC000017096956 556660619 /nfs/dbraw/zinc/66/06/19/556660619.db2.gz USBBEZZHCUOMFD-INIZCTEOSA-N 0 0 430.504 6.278 40 0 IKABRN Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc(Cl)c(C)c2)c2ccccc2)cc1 ZINC000408982514 556661463 /nfs/dbraw/zinc/66/14/63/556661463.db2.gz YFIRXHOTUHFSAD-QFIPXVFZSA-N 0 0 442.968 5.005 40 0 IKABRN Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc(Cl)c(C)c2)c2ccccc2)cc1 ZINC000408982512 556661566 /nfs/dbraw/zinc/66/15/66/556661566.db2.gz YFIRXHOTUHFSAD-JOCHJYFZSA-N 0 0 442.968 5.005 40 0 IKABRN CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)Nc2ccccc21 ZINC000013915525 556661862 /nfs/dbraw/zinc/66/18/62/556661862.db2.gz YODXZGPQWXXCMF-ZROIWOOFSA-N 0 0 437.131 5.493 40 0 IKABRN Cc1cc2nc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)oc2cc1C ZINC000017097847 556662337 /nfs/dbraw/zinc/66/23/37/556662337.db2.gz NMIPVVBTBAUZEU-UHFFFAOYSA-N 0 0 432.348 6.059 40 0 IKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 ZINC000017098278 556663049 /nfs/dbraw/zinc/66/30/49/556663049.db2.gz ZMXUQAFMHNPSAW-UHFFFAOYSA-N 0 0 432.955 6.286 40 0 IKABRN Cc1cc(NC(=S)NC(=O)Cc2ccccc2)cc(-c2nc3ccccc3s2)c1O ZINC000017098548 556663220 /nfs/dbraw/zinc/66/32/20/556663220.db2.gz FGEJEUSYSAFMSD-UHFFFAOYSA-N 0 0 433.558 5.033 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000017099296 556664485 /nfs/dbraw/zinc/66/44/85/556664485.db2.gz SUEDBGRDJUDZBC-UHFFFAOYSA-N 0 0 434.927 5.523 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(C)c1 ZINC000017101796 556666227 /nfs/dbraw/zinc/66/62/27/556666227.db2.gz OXCCTFWPAXIWKU-UHFFFAOYSA-N 0 0 437.952 5.336 40 0 IKABRN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000017102750 556666905 /nfs/dbraw/zinc/66/69/05/556666905.db2.gz NRWOONGARGFJFD-UHFFFAOYSA-N 0 0 438.739 6.096 40 0 IKABRN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000017102754 556666928 /nfs/dbraw/zinc/66/69/28/556666928.db2.gz VYVWKOMIJVVFFN-UHFFFAOYSA-N 0 0 438.739 6.096 40 0 IKABRN O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000017102752 556666955 /nfs/dbraw/zinc/66/69/55/556666955.db2.gz VFXMWPTYDUSSFP-UHFFFAOYSA-N 0 0 438.739 6.096 40 0 IKABRN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000017102764 556666965 /nfs/dbraw/zinc/66/69/65/556666965.db2.gz LSAFGYRZALNOCO-UHFFFAOYSA-N 0 0 438.743 5.022 40 0 IKABRN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000017102760 556666991 /nfs/dbraw/zinc/66/69/91/556666991.db2.gz IGCHSYUNSAKYCG-UHFFFAOYSA-N 0 0 438.739 6.096 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 ZINC000044839733 556668137 /nfs/dbraw/zinc/66/81/37/556668137.db2.gz QYRLODKRNSOUPG-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSCc1ccc(Cl)cc1 ZINC000044839208 556668195 /nfs/dbraw/zinc/66/81/95/556668195.db2.gz IMIDEOHCLWNYEQ-UHFFFAOYSA-N 0 0 434.841 5.930 40 0 IKABRN CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000044842591 556668624 /nfs/dbraw/zinc/66/86/24/556668624.db2.gz FQEPZBVFJSESAK-UHFFFAOYSA-N 0 0 444.940 5.100 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000044843803 556668854 /nfs/dbraw/zinc/66/88/54/556668854.db2.gz UNKKOUJWLOGGMI-SANMLTNESA-N 0 0 433.617 6.813 40 0 IKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000044843047 556668876 /nfs/dbraw/zinc/66/88/76/556668876.db2.gz SRFWWNQJZSBBTG-HYBUGGRVSA-N 0 0 430.548 5.591 40 0 IKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000044843031 556668911 /nfs/dbraw/zinc/66/89/11/556668911.db2.gz SRFWWNQJZSBBTG-RDPSFJRHSA-N 0 0 430.548 5.591 40 0 IKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000044846808 556669742 /nfs/dbraw/zinc/66/97/42/556669742.db2.gz ILDJQQMKDMYRND-HZKFARACSA-N 0 0 439.599 7.104 40 0 IKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000044846803 556669789 /nfs/dbraw/zinc/66/97/89/556669789.db2.gz ILDJQQMKDMYRND-RFZIMGSGSA-N 0 0 439.599 7.104 40 0 IKABRN CCOc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000044848688 556670134 /nfs/dbraw/zinc/67/01/34/556670134.db2.gz NSVYHMVNZHUIIT-UHFFFAOYSA-N 0 0 444.940 5.100 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 ZINC000044848620 556670146 /nfs/dbraw/zinc/67/01/46/556670146.db2.gz JULYMEHGKFCSOB-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000044848590 556670223 /nfs/dbraw/zinc/67/02/23/556670223.db2.gz AHHFTYXRQZFTCN-NQCZSQBNSA-N 0 0 433.979 6.793 40 0 IKABRN CCOc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044851437 556670523 /nfs/dbraw/zinc/67/05/23/556670523.db2.gz QBPOVVQKXRWWHR-UHFFFAOYSA-N 0 0 449.422 5.353 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(CN2CCc3ccccc32)cc1 ZINC000044850231 556670539 /nfs/dbraw/zinc/67/05/39/556670539.db2.gz BWEIGJCQYCXUIG-UHFFFAOYSA-N 0 0 430.857 6.174 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1C ZINC000044856675 556672192 /nfs/dbraw/zinc/67/21/92/556672192.db2.gz YOQXJGRMEPEVPE-QHCPKHFHSA-N 0 0 433.423 6.090 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)c(C)c1 ZINC000044856517 556672208 /nfs/dbraw/zinc/67/22/08/556672208.db2.gz IOCGAGAIPYBIBX-QHCPKHFHSA-N 0 0 433.423 6.090 40 0 IKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000044880346 556674213 /nfs/dbraw/zinc/67/42/13/556674213.db2.gz OJGPQYCXDNEPQJ-QHCPKHFHSA-N 0 0 442.481 5.365 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000044885161 556675300 /nfs/dbraw/zinc/67/53/00/556675300.db2.gz PTNHHDLWQMATPH-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000044899673 556676501 /nfs/dbraw/zinc/67/65/01/556676501.db2.gz RAKWUNXURXXOQF-RUZDIDTESA-N 0 0 430.548 5.072 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000044899920 556676642 /nfs/dbraw/zinc/67/66/42/556676642.db2.gz YRYVSBRJCUXGEH-HXUWFJFHSA-N 0 0 428.941 5.022 40 0 IKABRN COc1ccc(S[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1OC ZINC000044900148 556677026 /nfs/dbraw/zinc/67/70/26/556677026.db2.gz FRTHPRRZUQYHSL-CYBMUJFWSA-N 0 0 443.993 5.027 40 0 IKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000044900273 556677084 /nfs/dbraw/zinc/67/70/84/556677084.db2.gz DZKFKMKQTGNQDO-LJQANCHMSA-N 0 0 426.409 5.817 40 0 IKABRN CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccc(C)cc1 ZINC000044900708 556677392 /nfs/dbraw/zinc/67/73/92/556677392.db2.gz JCLATZSTOAEXAI-QFIPXVFZSA-N 0 0 442.968 5.330 40 0 IKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1C ZINC000044901255 556677616 /nfs/dbraw/zinc/67/76/16/556677616.db2.gz CFMBJBGLOBTMLK-INIZCTEOSA-N 0 0 445.753 5.762 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 ZINC000044901768 556678233 /nfs/dbraw/zinc/67/82/33/556678233.db2.gz AFEYTCCGSHNIDH-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044903199 556678673 /nfs/dbraw/zinc/67/86/73/556678673.db2.gz GIYYUACWPLWXIS-IBGZPJMESA-N 0 0 431.601 6.643 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)cc1 ZINC000044904201 556679195 /nfs/dbraw/zinc/67/91/95/556679195.db2.gz HCEGQMRXWFELMY-OAQYLSRUSA-N 0 0 449.016 5.094 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)[C@@H]3COc4ccccc4O3)c2)cc1 ZINC000044904074 556679235 /nfs/dbraw/zinc/67/92/35/556679235.db2.gz ZMLVKSBRBJZHLO-QHCPKHFHSA-N 0 0 430.504 5.015 40 0 IKABRN C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000044904941 556679802 /nfs/dbraw/zinc/67/98/02/556679802.db2.gz FAZSAKDALVFMCD-HFJWLAOPSA-N 0 0 448.563 5.133 40 0 IKABRN O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044906387 556680080 /nfs/dbraw/zinc/68/00/80/556680080.db2.gz AZZHGDJSHJHYQA-UHFFFAOYSA-N 0 0 439.814 5.608 40 0 IKABRN CCOc1ccccc1CCCNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000044909951 556680750 /nfs/dbraw/zinc/68/07/50/556680750.db2.gz SAIHEQZCJUWFBB-UHFFFAOYSA-N 0 0 449.422 5.353 40 0 IKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000044915831 556681206 /nfs/dbraw/zinc/68/12/06/556681206.db2.gz MNTUJENODFVGES-UHFFFAOYSA-N 0 0 432.951 5.422 40 0 IKABRN CC1(C)C[C@H](NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc2O1 ZINC000044918392 556681898 /nfs/dbraw/zinc/68/18/98/556681898.db2.gz NMTMLXRWZKWXKX-NRFANRHFSA-N 0 0 447.406 5.624 40 0 IKABRN CC1(C)C[C@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c2ccccc2O1 ZINC000044918382 556681912 /nfs/dbraw/zinc/68/19/12/556681912.db2.gz FVWKAQJTYHSRNA-NRFANRHFSA-N 0 0 447.406 5.624 40 0 IKABRN CC1(C)C[C@@H](NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc2O1 ZINC000044918397 556681936 /nfs/dbraw/zinc/68/19/36/556681936.db2.gz NMTMLXRWZKWXKX-OAQYLSRUSA-N 0 0 447.406 5.624 40 0 IKABRN CC1(C)C[C@H](NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c2ccccc2O1 ZINC000044918402 556681957 /nfs/dbraw/zinc/68/19/57/556681957.db2.gz NUBLTADSXUTGCJ-NRFANRHFSA-N 0 0 447.406 5.624 40 0 IKABRN CC1(C)C[C@@H](NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c2ccccc2O1 ZINC000044918406 556682003 /nfs/dbraw/zinc/68/20/03/556682003.db2.gz NUBLTADSXUTGCJ-OAQYLSRUSA-N 0 0 447.406 5.624 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936314 556682684 /nfs/dbraw/zinc/68/26/84/556682684.db2.gz KKLHAAKBQFXNPA-QFIPXVFZSA-N 0 0 435.395 5.482 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000044937317 556683027 /nfs/dbraw/zinc/68/30/27/556683027.db2.gz NDMNYVOHCLUVSW-XMMPIXPASA-N 0 0 446.994 5.603 40 0 IKABRN CCSc1ccccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000044938639 556683389 /nfs/dbraw/zinc/68/33/89/556683389.db2.gz WXXKUZSTCOOWMX-UHFFFAOYSA-N 0 0 433.415 5.412 40 0 IKABRN COc1cccc2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)oc21 ZINC000044948237 556683855 /nfs/dbraw/zinc/68/38/55/556683855.db2.gz JKTJWKOPBVLYPZ-UHFFFAOYSA-N 0 0 427.500 6.222 40 0 IKABRN Cc1ccccc1[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 ZINC000044949431 556684113 /nfs/dbraw/zinc/68/41/13/556684113.db2.gz ZZUZILBRTOGECM-JOCHJYFZSA-N 0 0 444.756 5.696 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)ccc21 ZINC000044949231 556684120 /nfs/dbraw/zinc/68/41/20/556684120.db2.gz JDRGYKZZTCOBCU-UHFFFAOYSA-N 0 0 441.940 5.092 40 0 IKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044950252 556684312 /nfs/dbraw/zinc/68/43/12/556684312.db2.gz UCPRJLKOWXHRKS-UHFFFAOYSA-N 0 0 434.539 6.684 40 0 IKABRN C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000044950215 556684379 /nfs/dbraw/zinc/68/43/79/556684379.db2.gz OQICVFKHGNCGEO-GKVSMKOHSA-N 0 0 434.536 5.091 40 0 IKABRN Brc1cc2[nH]c(-c3ccccc3Br)nc2c(Br)c1 ZINC000226343134 556684562 /nfs/dbraw/zinc/68/45/62/556684562.db2.gz LWLPSPQSBHDBQS-UHFFFAOYSA-N 0 0 430.925 5.517 40 0 IKABRN COC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 ZINC000226340074 556684528 /nfs/dbraw/zinc/68/45/28/556684528.db2.gz PSMNKQVGBBEYSK-UHFFFAOYSA-N 0 0 434.511 5.231 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccccc1Cl ZINC000000778368 556692934 /nfs/dbraw/zinc/69/29/34/556692934.db2.gz QZQWMLITZOETPN-UHFFFAOYSA-N 0 0 442.924 5.310 40 0 IKABRN CC(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O ZINC000000783416 556694442 /nfs/dbraw/zinc/69/44/42/556694442.db2.gz AEYDEYBZRUXYPH-UHFFFAOYSA-N 0 0 436.364 5.090 40 0 IKABRN CC(C)(C)C(=O)N1CCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CC1 ZINC000019081095 556695879 /nfs/dbraw/zinc/69/58/79/556695879.db2.gz CGNHIQGIIUEIDF-UHFFFAOYSA-N 0 0 433.531 5.173 40 0 IKABRN CC(=O)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913425 556696210 /nfs/dbraw/zinc/69/62/10/556696210.db2.gz XRPYRCCVSZYAQT-BDFLAVSISA-N 0 0 428.657 6.893 40 0 IKABRN Cc1cccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1C ZINC000000800050 556696307 /nfs/dbraw/zinc/69/63/07/556696307.db2.gz LOMHBAOFWXUYOG-LJQANCHMSA-N 0 0 438.515 5.450 40 0 IKABRN Cc1cccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1C ZINC000000800049 556696310 /nfs/dbraw/zinc/69/63/10/556696310.db2.gz LOMHBAOFWXUYOG-IBGZPJMESA-N 0 0 438.515 5.450 40 0 IKABRN Cc1ccc(CN(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000000800084 556696576 /nfs/dbraw/zinc/69/65/76/556696576.db2.gz ODMXXASRLXOXGO-IBGZPJMESA-N 0 0 438.515 5.138 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(CO)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118934548 556696944 /nfs/dbraw/zinc/69/69/44/556696944.db2.gz ZUYKAEVLUWUNMD-OUBJHZQFSA-N 0 0 444.700 6.932 40 0 IKABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc2N1 ZINC000019082286 556697054 /nfs/dbraw/zinc/69/70/54/556697054.db2.gz ZCRCAFFPDJPSJH-BPQIPLTHSA-N 0 0 426.527 5.113 40 0 IKABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H]3CC=CCC3)C1)N2 ZINC000019083948 556698274 /nfs/dbraw/zinc/69/82/74/556698274.db2.gz FPCRSUUEJYLAIR-VXIBKDFQSA-N 0 0 438.538 5.063 40 0 IKABRN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2c3ccccc3Sc3ccccc32)c1 ZINC000000827244 556700028 /nfs/dbraw/zinc/70/00/28/556700028.db2.gz CFUZEILLCPYUGM-UHFFFAOYSA-N 0 0 438.574 5.160 40 0 IKABRN Cc1cc2cc(NC(=O)c3cc([C@@H]4CCCN(C(=O)C5CCCCC5)C4)no3)ccc2o1 ZINC000019126551 556703472 /nfs/dbraw/zinc/70/34/72/556703472.db2.gz NBOWNGBZVMPBMW-GOSISDBHSA-N 0 0 435.524 5.268 40 0 IKABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000013619223 556704034 /nfs/dbraw/zinc/70/40/34/556704034.db2.gz FWPXXWJCAFWHHE-VJBWXMMDSA-N 0 0 432.907 5.008 40 0 IKABRN COc1ccc(-c2nc3c(o2)c(C)c(Br)c(N)c3Br)cc1Cl ZINC000073639530 556705733 /nfs/dbraw/zinc/70/57/33/556705733.db2.gz CTXFQLRCFZUVLP-UHFFFAOYSA-N 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/nfs/dbraw/zinc/70/87/08/556708708.db2.gz ZRECJGBEZUZXIR-GDLZYMKVSA-N 0 0 447.534 6.758 40 0 IKABRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000409002353 556711648 /nfs/dbraw/zinc/71/16/48/556711648.db2.gz NIYZIUPQMMIRJQ-XDHUDOTRSA-N 0 0 430.504 5.866 40 0 IKABRN CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000409002374 556711699 /nfs/dbraw/zinc/71/16/99/556711699.db2.gz NLOVSLSOZVPSDI-DEOSSOPVSA-N 0 0 446.547 5.402 40 0 IKABRN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)N[C@@H](c1ccc(C)cn1)C2 ZINC000019216070 556711882 /nfs/dbraw/zinc/71/18/82/556711882.db2.gz ARSLJJHRKQELRW-NFBKMPQASA-N 0 0 429.347 5.690 40 0 IKABRN Cc1ccc(C(=O)N2CC[C@@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)s1 ZINC000019216851 556712177 /nfs/dbraw/zinc/71/21/77/556712177.db2.gz MVAXSIXSAJBSKJ-LJQANCHMSA-N 0 0 441.560 5.282 40 0 IKABRN Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)s1 ZINC000019216921 556712229 /nfs/dbraw/zinc/71/22/29/556712229.db2.gz 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COCCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000409100891 556796702 /nfs/dbraw/zinc/79/67/02/556796702.db2.gz XDMVQAHRFYKXHR-UHFFFAOYSA-N 0 0 428.772 5.844 40 0 IKABRN Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2nsc(Cl)c2Cl)c1C ZINC000001380302 556796669 /nfs/dbraw/zinc/79/66/69/556796669.db2.gz CDOCUNSGADBOFP-UHFFFAOYSA-N 0 0 440.396 5.162 40 0 IKABRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000409100441 556796766 /nfs/dbraw/zinc/79/67/66/556796766.db2.gz VZNVCKWSACVCTR-IRXDYDNUSA-N 0 0 441.000 5.469 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1ccco1)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000001382778 556797304 /nfs/dbraw/zinc/79/73/04/556797304.db2.gz JATQTDLTOPJAAL-HXUWFJFHSA-N 0 0 446.425 5.338 40 0 IKABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000409104086 556797447 /nfs/dbraw/zinc/79/74/47/556797447.db2.gz DIFPTIPXCLSJIX-RSYJBZMQSA-N 0 0 439.967 5.151 40 0 IKABRN CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O ZINC000409104176 556797527 /nfs/dbraw/zinc/79/75/27/556797527.db2.gz GEKLAQBHMBIPMS-WQRHYEAKSA-N 0 0 444.940 5.031 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000059322991 556797944 /nfs/dbraw/zinc/79/79/44/556797944.db2.gz ZSOKYDOXNUVJFD-UHFFFAOYSA-N 0 0 429.800 5.229 40 0 IKABRN O=C1Nc2ccccc2S/C1=C\c1cc(Br)ccc1OCc1ccccc1 ZINC000409104966 556798055 /nfs/dbraw/zinc/79/80/55/556798055.db2.gz LRJYSIHOUILJDV-BKUYFWCQSA-N 0 0 438.346 6.113 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nnc2-c2ccccc2)c1 ZINC000409105261 556798074 /nfs/dbraw/zinc/79/80/74/556798074.db2.gz KIADUQFLXSNWLY-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN O=C1N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccccc1F ZINC000409105459 556798339 /nfs/dbraw/zinc/79/83/39/556798339.db2.gz JWRCGPIJRUWYKD-VCHYOVAHSA-N 0 0 431.250 5.485 40 0 IKABRN CCC(C)(C)C(=O)[C@H]1[C@](C)(c2ccccc2)CC(c2ccccc2)=C[C@@]1(O)C(C)(C)CC ZINC000001832125 556798327 /nfs/dbraw/zinc/79/83/27/556798327.db2.gz JYXYBEIHSGHFQN-ARVREXMNSA-N 0 0 432.648 7.220 40 0 IKABRN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000002073964 556798356 /nfs/dbraw/zinc/79/83/56/556798356.db2.gz JSUJBXWAGQSSHP-IBGZPJMESA-N 0 0 428.561 5.670 40 0 IKABRN O=C(Nc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cc4ccccc4s3)ccc12 ZINC000005410605 556798733 /nfs/dbraw/zinc/79/87/33/556798733.db2.gz OHRRKAROXWSPFH-PKOBYXMFSA-N 0 0 441.556 5.381 40 0 biogenic,in-vitro IKABRN O=C1NC(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409106947 556799448 /nfs/dbraw/zinc/79/94/48/556799448.db2.gz QCBYREMBDWLACF-YVLHZVERSA-N 0 0 433.678 6.004 40 0 IKABRN COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3nccc4ccccc43)no2)cc1 ZINC000019558049 556799725 /nfs/dbraw/zinc/79/97/25/556799725.db2.gz KDRTYDRPDMTIOA-HSZRJFAPSA-N 0 0 427.504 5.656 40 0 IKABRN COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3nccc4ccccc43)no2)cc1 ZINC000019558046 556799762 /nfs/dbraw/zinc/79/97/62/556799762.db2.gz KDRTYDRPDMTIOA-QHCPKHFHSA-N 0 0 427.504 5.656 40 0 IKABRN Cc1c(Cl)cccc1NCc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000409109785 556799951 /nfs/dbraw/zinc/79/99/51/556799951.db2.gz LJYSAPQDLTXDIN-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000002509515 556800060 /nfs/dbraw/zinc/80/00/60/556800060.db2.gz AHQGBTJUQBJWCN-HAUQEPAVSA-N 0 0 436.592 6.107 40 0 IKABRN Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1Br ZINC000002578396 556800084 /nfs/dbraw/zinc/80/00/84/556800084.db2.gz DFRMNBFXHRVMAC-UHFFFAOYSA-N 0 0 429.170 5.844 40 0 IKABRN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(C(F)(F)F)cc3)cc12 ZINC000002586514 556800094 /nfs/dbraw/zinc/80/00/94/556800094.db2.gz QKRYUTOVFWXGBF-UHFFFAOYSA-N 0 0 440.469 5.642 40 0 IKABRN Cc1noc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3ccccc3F)cc2)c1C ZINC000019558670 556800517 /nfs/dbraw/zinc/80/05/17/556800517.db2.gz FVDUHXGJXLXWEJ-UHFFFAOYSA-N 0 0 444.510 5.608 40 0 IKABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409110546 556800609 /nfs/dbraw/zinc/80/06/09/556800609.db2.gz DXPQEYMPCJIMPO-ITYLOYPMSA-N 0 0 449.550 6.725 40 0 IKABRN CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1OC ZINC000409110603 556800680 /nfs/dbraw/zinc/80/06/80/556800680.db2.gz FHMOLRZEOTYWMS-UHFFFAOYSA-N 0 0 428.326 6.261 40 0 IKABRN Cc1cccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)c1C ZINC000409110755 556800717 /nfs/dbraw/zinc/80/07/17/556800717.db2.gz GMMPWAVZOHNPRV-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409111289 556801798 /nfs/dbraw/zinc/80/17/98/556801798.db2.gz BIGCVARUHSLWNJ-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1Cl ZINC000409112030 556802063 /nfs/dbraw/zinc/80/20/63/556802063.db2.gz ALRPTFSXMSJRBZ-UHFFFAOYSA-N 0 0 445.946 7.332 40 0 IKABRN CCc1ccccc1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000409111458 556802075 /nfs/dbraw/zinc/80/20/75/556802075.db2.gz CVPOFDAONSUHKC-UHFFFAOYSA-N 0 0 430.773 6.856 40 0 IKABRN COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccccc1Cl ZINC000409111876 556802601 /nfs/dbraw/zinc/80/26/01/556802601.db2.gz CVALIKMEGNBSPU-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN CCc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409112816 556803105 /nfs/dbraw/zinc/80/31/05/556803105.db2.gz CCNHYNPIHZVVKP-UHFFFAOYSA-N 0 0 430.773 6.856 40 0 IKABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019562133 556803563 /nfs/dbraw/zinc/80/35/63/556803563.db2.gz ZULWFGTUYBIDRS-GFCCVEGCSA-N 0 0 438.500 5.009 40 0 IKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)c2ccccc21 ZINC000409113210 556803685 /nfs/dbraw/zinc/80/36/85/556803685.db2.gz HBZWGDKSSBEDSE-KQWNVCNZSA-N 0 0 431.507 6.101 40 0 IKABRN Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409113192 556803694 /nfs/dbraw/zinc/80/36/94/556803694.db2.gz HBBOAZZIPWIOBX-UHFFFAOYSA-N 0 0 445.540 6.167 40 0 IKABRN COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(C)cc1 ZINC000409113552 556803701 /nfs/dbraw/zinc/80/37/01/556803701.db2.gz HBMQXLOFDRVPQT-UHFFFAOYSA-N 0 0 425.528 6.987 40 0 IKABRN CCOc1c(I)cc(CNc2cc(Cl)ccc2C)cc1OC ZINC000409114039 556804171 /nfs/dbraw/zinc/80/41/71/556804171.db2.gz KFYKWWWUSGGJLQ-UHFFFAOYSA-N 0 0 431.701 5.272 40 0 IKABRN CCc1cccc(C)c1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000409114177 556804374 /nfs/dbraw/zinc/80/43/74/556804374.db2.gz DAFCHPCMLCABJM-UHFFFAOYSA-N 0 0 442.968 5.045 40 0 IKABRN CCc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000409114131 556804486 /nfs/dbraw/zinc/80/44/86/556804486.db2.gz IYEPCKPOEWSADE-UHFFFAOYSA-N 0 0 426.354 6.211 40 0 IKABRN COc1cc(CNc2ccccc2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409114404 556804722 /nfs/dbraw/zinc/80/47/22/556804722.db2.gz JKOQSLHHFNIAPW-UHFFFAOYSA-N 0 0 430.317 6.096 40 0 IKABRN COc1cccc(C[N@@H+]2CCC[C@](Cc3ccccc3-c3ccccc3OC)(C(=O)[O-])C2)c1 ZINC000019565010 556805897 /nfs/dbraw/zinc/80/58/97/556805897.db2.gz XYWKOYQXXKUXSB-MUUNZHRXSA-N 0 0 445.559 5.280 40 0 IKABRN CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409115243 556806536 /nfs/dbraw/zinc/80/65/36/556806536.db2.gz HTQMXJVVNYVSJO-UHFFFAOYSA-N 0 0 430.375 7.200 40 0 IKABRN Cc1c2ccccc2oc1C(=O)N1CCC(c2cc(C(=O)N3CCCC(C)(C)C3)on2)CC1 ZINC000019566041 556806601 /nfs/dbraw/zinc/80/66/01/556806601.db2.gz XCDPJQUDOTVYHL-UHFFFAOYSA-N 0 0 449.551 5.011 40 0 IKABRN CCc1ccc(NCc2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 ZINC000409115643 556806953 /nfs/dbraw/zinc/80/69/53/556806953.db2.gz SPBCKTGFIPGTQG-UHFFFAOYSA-N 0 0 445.968 5.599 40 0 IKABRN CCCOc1c(I)cc(CNc2ccc(C)cc2C)cc1OC ZINC000409115483 556807011 /nfs/dbraw/zinc/80/70/11/556807011.db2.gz MMTXRLYHRUSFIF-UHFFFAOYSA-N 0 0 425.310 5.318 40 0 IKABRN CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409115868 556807068 /nfs/dbraw/zinc/80/70/68/556807068.db2.gz LGTBGXQGZXPITI-UHFFFAOYSA-N 0 0 445.990 7.700 40 0 IKABRN Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)c(C)c1 ZINC000409115941 556807273 /nfs/dbraw/zinc/80/72/73/556807273.db2.gz JXJUPDASSCMMOH-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN CCc1ccc(NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000409116207 556807443 /nfs/dbraw/zinc/80/74/43/556807443.db2.gz MYYDIYPYFNNNBP-UHFFFAOYSA-N 0 0 426.354 6.211 40 0 IKABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000060512633 556808072 /nfs/dbraw/zinc/80/80/72/556808072.db2.gz MLKSQDYIQIBNGV-UHFFFAOYSA-N 0 0 430.213 5.634 40 0 IKABRN O=C1SC[C@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)N1Cc1ccccc1 ZINC000016712015 556808535 /nfs/dbraw/zinc/80/85/35/556808535.db2.gz XASMYCNNQLLLHV-RDGATRHJSA-N 0 0 427.529 5.253 40 0 IKABRN COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409117224 556809357 /nfs/dbraw/zinc/80/93/57/556809357.db2.gz LDPISQVTOYJORS-UHFFFAOYSA-N 0 0 436.766 7.155 40 0 IKABRN Clc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409117150 556809479 /nfs/dbraw/zinc/80/94/79/556809479.db2.gz QJGIGLSWOHVFLP-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)n1 ZINC000019570224 556810184 /nfs/dbraw/zinc/81/01/84/556810184.db2.gz MHRZWIRKIZLSMH-IBGZPJMESA-N 0 0 446.551 5.134 40 0 IKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)c(C)c1 ZINC000409118963 556811974 /nfs/dbraw/zinc/81/19/74/556811974.db2.gz QTJAJTDXMCMACH-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)cc1C ZINC000409118317 556812033 /nfs/dbraw/zinc/81/20/33/556812033.db2.gz PVNKKYJOQNUHFY-UHFFFAOYSA-N 0 0 435.596 6.920 40 0 IKABRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCC)c(OCC)c2)c2ccccc21 ZINC000409118697 556812046 /nfs/dbraw/zinc/81/20/46/556812046.db2.gz PSQFRRNRFNMXNK-ATVHPVEESA-N 0 0 430.342 5.544 40 0 IKABRN CCOc1cc(CNc2ccc(CC)cc2)cc(Br)c1OCc1ccccc1 ZINC000409118360 556812073 /nfs/dbraw/zinc/81/20/73/556812073.db2.gz PHMKGDLMFVCICQ-UHFFFAOYSA-N 0 0 440.381 6.601 40 0 IKABRN COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409118780 556812280 /nfs/dbraw/zinc/81/22/80/556812280.db2.gz UREUNEOYVZKAAW-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409118826 556812318 /nfs/dbraw/zinc/81/23/18/556812318.db2.gz 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0 IKABRN CCCN1C(=O)S/C(=C\c2cn(CCOc3ccc(OC)cc3)c3ccccc23)C1=O ZINC000409132923 556843299 /nfs/dbraw/zinc/84/32/99/556843299.db2.gz PIVNTRQMYRXAEV-JCMHNJIXSA-N 0 0 436.533 5.175 40 0 IKABRN COc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br ZINC000409132987 556843366 /nfs/dbraw/zinc/84/33/66/556843366.db2.gz YWRDWPPCBDNSEL-OQLLNIDSSA-N 0 0 444.778 5.728 40 0 IKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccc(C)cc2)cc1 ZINC000008670329 556843662 /nfs/dbraw/zinc/84/36/62/556843662.db2.gz OSHNRYNXZWXDLB-RUZDIDTESA-N 0 0 446.547 5.352 40 0 IKABRN O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000008678302 556844470 /nfs/dbraw/zinc/84/44/70/556844470.db2.gz ROURGIHXNPOSRK-UHFFFAOYSA-N 0 0 433.571 5.307 40 0 IKABRN Cc1cccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000008685419 556844727 /nfs/dbraw/zinc/84/47/27/556844727.db2.gz BJZZOVGIMGJBOR-UHFFFAOYSA-N 0 0 433.602 5.606 40 0 aggregator IKABRN COc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000008685781 556844896 /nfs/dbraw/zinc/84/48/96/556844896.db2.gz FEHZRVBODOWSKA-UHFFFAOYSA-N 0 0 447.560 5.146 40 0 aggregator IKABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)o1 ZINC000019690319 556845950 /nfs/dbraw/zinc/84/59/50/556845950.db2.gz YNVKIOLUCYRAKY-IBGZPJMESA-N 0 0 443.469 5.316 40 0 IKABRN Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 ZINC000409133299 556846172 /nfs/dbraw/zinc/84/61/72/556846172.db2.gz QAOKXASUIRSHNI-XIEYBQDHSA-N 0 0 443.568 6.243 40 0 IKABRN Cc1ncsc1C(=O)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000019690487 556846499 /nfs/dbraw/zinc/84/64/99/556846499.db2.gz VUNHOTVXVCTKTQ-UHFFFAOYSA-N 0 0 445.510 5.476 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)OC)ccc4C)o3)S2)cc1 ZINC000408768499 556846906 /nfs/dbraw/zinc/84/69/06/556846906.db2.gz GNUGYQRUYJPXBL-GLSAMTQTSA-N 0 0 448.544 5.204 40 0 IKABRN COc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409133550 556847193 /nfs/dbraw/zinc/84/71/93/556847193.db2.gz MWPGUYPIDQMSJK-UHFFFAOYSA-N 0 0 432.745 6.302 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 ZINC000408776128 556847335 /nfs/dbraw/zinc/84/73/35/556847335.db2.gz MDAZLCAQIJHQPT-UHFFFAOYSA-N 0 0 437.005 5.203 40 0 IKABRN COC(C)(C)C(=O)N1CCC(c2cc(Cc3cccc(C(F)(F)F)c3)cc(C)n2)CC1 ZINC000019691708 556847433 /nfs/dbraw/zinc/84/74/33/556847433.db2.gz KGHCVXHNBHHPDQ-UHFFFAOYSA-N 0 0 434.502 5.131 40 0 IKABRN Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)c3cnc(C)nc3C)CC2)n1 ZINC000019691841 556847551 /nfs/dbraw/zinc/84/75/51/556847551.db2.gz KCJBAYHZQUDHIG-UHFFFAOYSA-N 0 0 434.971 5.061 40 0 IKABRN CCc1nnsc1C(=O)N1CCC(c2cc(Cc3ccc(Cl)cc3)cc(C)n2)CC1 ZINC000019691883 556847559 /nfs/dbraw/zinc/84/75/59/556847559.db2.gz WRGPWWHEYSCBDY-UHFFFAOYSA-N 0 0 441.000 5.068 40 0 IKABRN COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409134275 556848069 /nfs/dbraw/zinc/84/80/69/556848069.db2.gz ONHNICIZOZNANO-UHFFFAOYSA-N 0 0 430.317 6.096 40 0 IKABRN Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCCc3ccc(F)c(C)c3)CC2)n1 ZINC000019692136 556848113 /nfs/dbraw/zinc/84/81/13/556848113.db2.gz FJZLIWOMZVEQRF-UHFFFAOYSA-N 0 0 446.570 5.211 40 0 IKABRN COc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409135608 556848617 /nfs/dbraw/zinc/84/86/17/556848617.db2.gz RLCRFGAUDGPDBF-UHFFFAOYSA-N 0 0 444.344 6.405 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 ZINC000408777402 556848716 /nfs/dbraw/zinc/84/87/16/556848716.db2.gz ZWYJAHPAZZXCLV-GTWFGUSFSA-N 0 0 430.573 5.736 40 0 IKABRN Cc1cc(C)cc(CSCC(=O)Nc2ccc(I)cc2C)c1 ZINC000409137062 556850164 /nfs/dbraw/zinc/85/01/64/556850164.db2.gz WGCOYNMEDSDRLO-UHFFFAOYSA-N 0 0 425.335 5.088 40 0 IKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1nc(-c2ccccc2)cs1 ZINC000008924614 556851310 /nfs/dbraw/zinc/85/13/10/556851310.db2.gz IZHFPXDCIJKTAD-UHFFFAOYSA-N 0 0 428.926 5.244 40 0 IKABRN COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)cc1 ZINC000019695262 556851721 /nfs/dbraw/zinc/85/17/21/556851721.db2.gz QYYUKMAGRCIJOY-JOCHJYFZSA-N 0 0 448.611 5.061 40 0 IKABRN Fc1ccc(/C=C/C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000008927045 556852452 /nfs/dbraw/zinc/85/24/52/556852452.db2.gz NUICWGROJAHSBE-NVFKUSHMSA-N 0 0 429.297 7.292 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=O)CCNC(=O)OCc4ccccc4)cc3)sc2c1 ZINC000008989883 556854670 /nfs/dbraw/zinc/85/46/70/556854670.db2.gz KTTGFDNZXJCATL-UHFFFAOYSA-N 0 0 445.544 5.527 40 0 IKABRN O=C(CSCc1ccccc1Br)N(Cc1ccccc1)Cc1ccccc1 ZINC000408781964 556854700 /nfs/dbraw/zinc/85/47/00/556854700.db2.gz UPVKGDLKZGRJND-UHFFFAOYSA-N 0 0 440.406 5.911 40 0 IKABRN CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Br ZINC000408782485 556854991 /nfs/dbraw/zinc/85/49/91/556854991.db2.gz JDJDIZXFKITPHQ-SQWSFHKJSA-N 0 0 433.371 5.010 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)cc1 ZINC000408784265 556855481 /nfs/dbraw/zinc/85/54/81/556855481.db2.gz VANIZCMFOQJUNP-ZGOFBEGVSA-N 0 0 439.584 5.852 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)OC)c4C)o3)S2)cc1 ZINC000408781726 556856035 /nfs/dbraw/zinc/85/60/35/556856035.db2.gz FLLWQMXKVUTWHS-GLSAMTQTSA-N 0 0 448.544 5.204 40 0 IKABRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408781578 556856041 /nfs/dbraw/zinc/85/60/41/556856041.db2.gz CALBENLXRVREQA-ULJHMMPZSA-N 0 0 433.536 5.223 40 0 IKABRN O=C(Nc1ccc(I)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000408786976 556856623 /nfs/dbraw/zinc/85/66/23/556856623.db2.gz YXKSAQKUKKWFSG-UHFFFAOYSA-N 0 0 445.325 5.836 40 0 IKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1Nc1ccccc1 ZINC000408800533 556858422 /nfs/dbraw/zinc/85/84/22/556858422.db2.gz NRWPAGKEPUQMHM-CKSOJSIGSA-N 0 0 446.423 7.047 40 0 IKABRN CCCOc1ccc2ccccc2c1/C=C1\SC(Nc2cc(C)ccc2OC)NC1=O ZINC000408802817 556859739 /nfs/dbraw/zinc/85/97/39/556859739.db2.gz HTJRXXSBUQPPCU-UHFFFAOYSA-N 0 0 433.553 5.709 40 0 IKABRN COc1ccc(Cl)cc1/C=C1\SC(Nc2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O ZINC000408805552 556860847 /nfs/dbraw/zinc/86/08/47/556860847.db2.gz GPEJQIJMGMNRFS-MAKSOAMOSA-N 0 0 442.004 6.403 40 0 IKABRN CCCOc1ccc2ccccc2c1/C=C1\SC(Nc2ccc(Cl)cc2C)NC1=O ZINC000408805972 556861005 /nfs/dbraw/zinc/86/10/05/556861005.db2.gz DEUGELNASWOKNY-UHFFFAOYSA-N 0 0 437.972 6.353 40 0 IKABRN CC(C)Oc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408808457 556861508 /nfs/dbraw/zinc/86/15/08/556861508.db2.gz PRBAULBVVWUXCM-KQXXUEMGSA-N 0 0 435.613 6.528 40 0 IKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408808980 556861546 /nfs/dbraw/zinc/86/15/46/556861546.db2.gz GCPIVGMUXJWJBU-NVMNQCDNSA-N 0 0 448.338 5.011 40 0 IKABRN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)cc1Cl ZINC000408808890 556861625 /nfs/dbraw/zinc/86/16/25/556861625.db2.gz FWMZBFFEKBYUME-UNOMPAQXSA-N 0 0 439.876 5.628 40 0 IKABRN CCOc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)ccc1OCC(C)C ZINC000408813573 556861936 /nfs/dbraw/zinc/86/19/36/556861936.db2.gz NLWQHNJQYMHEKO-UHFFFAOYSA-N 0 0 445.992 5.845 40 0 IKABRN COc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc1Br ZINC000408810402 556862074 /nfs/dbraw/zinc/86/20/74/556862074.db2.gz PJXPDXIMBKFIGI-UHFFFAOYSA-N 0 0 438.754 5.183 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408810521 556862089 /nfs/dbraw/zinc/86/20/89/556862089.db2.gz JKLRYLHNEYMIHA-HAHDFKILSA-N 0 0 449.503 6.044 40 0 IKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408815453 556863304 /nfs/dbraw/zinc/86/33/04/556863304.db2.gz WWLAZHHJYHPMTB-UHFFFAOYSA-N 0 0 434.299 6.155 40 0 IKABRN O=C1S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1ccccc1 ZINC000408816107 556863711 /nfs/dbraw/zinc/86/37/11/556863711.db2.gz SMXJBGNHBFRYSL-PDGQHHTCSA-N 0 0 426.291 5.950 40 0 IKABRN O=C1S/C(=C\c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1c1ccccc1 ZINC000408818259 556864528 /nfs/dbraw/zinc/86/45/28/556864528.db2.gz XHLKQFQKEONLIR-UQQQWYQISA-N 0 0 437.520 6.660 40 0 IKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1OC ZINC000408819264 556865044 /nfs/dbraw/zinc/86/50/44/556865044.db2.gz YWHPFAFSDXMSOG-PUSCBPJZSA-N 0 0 437.585 5.758 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408814204 556865354 /nfs/dbraw/zinc/86/53/54/556865354.db2.gz QOSASSQJVYGBOI-ZDLGFXPLSA-N 0 0 438.332 5.637 40 0 IKABRN COc1ccc(OC)c(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408814927 556865567 /nfs/dbraw/zinc/86/55/67/556865567.db2.gz ZUYGTWUGNMNJQP-JUCCXITFSA-N 0 0 437.585 5.758 40 0 IKABRN COc1ccc(-c2nc(NC(=O)c3ccccc3Br)sc2C)c(OC)c1 ZINC000408822433 556865585 /nfs/dbraw/zinc/86/55/85/556865585.db2.gz BRKUMXFKLIQHLE-UHFFFAOYSA-N 0 0 433.327 5.151 40 0 IKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1Nc1ccccc1 ZINC000408819837 556865793 /nfs/dbraw/zinc/86/57/93/556865793.db2.gz UFOCICRTZRJXMD-LFUDDNCESA-N 0 0 430.597 6.232 40 0 IKABRN CCOc1cc(Br)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408820149 556866041 /nfs/dbraw/zinc/86/60/41/556866041.db2.gz UHECDXOYSHSNHS-YVLHZVERSA-N 0 0 434.311 5.097 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC ZINC000408820573 556866096 /nfs/dbraw/zinc/86/60/96/556866096.db2.gz YSKZVVTVPAHVFD-ATVHPVEESA-N 0 0 448.338 5.487 40 0 IKABRN CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(Cl)cc1 ZINC000408821112 556866232 /nfs/dbraw/zinc/86/62/32/556866232.db2.gz CPELHDHDKWRNKF-UHFFFAOYSA-N 0 0 435.774 6.431 40 0 IKABRN CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(OC)cc1 ZINC000408827110 556866441 /nfs/dbraw/zinc/86/64/41/556866441.db2.gz UPXHJGONAZTWNJ-UHFFFAOYSA-N 0 0 431.355 5.786 40 0 IKABRN CCCc1sc(NC(=O)c2ccc(OC)c(Br)c2)nc1-c1ccc(C)cc1 ZINC000408834175 556866919 /nfs/dbraw/zinc/86/69/19/556866919.db2.gz VICQYRQKJZUPTC-UHFFFAOYSA-N 0 0 445.382 6.094 40 0 IKABRN COc1ccc(OC)c(-c2nc(NC(=O)c3cccc(Br)c3)sc2C)c1 ZINC000408835299 556867042 /nfs/dbraw/zinc/86/70/42/556867042.db2.gz YHKVTLWXHDCQDF-UHFFFAOYSA-N 0 0 433.327 5.151 40 0 IKABRN COc1ccc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)c(OC)c1 ZINC000408839636 556867182 /nfs/dbraw/zinc/86/71/82/556867182.db2.gz UWVMJLQBECYRMA-VGOFMYFVSA-N 0 0 434.300 5.570 40 0 IKABRN COc1ccc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)cc1 ZINC000408838688 556868085 /nfs/dbraw/zinc/86/80/85/556868085.db2.gz HCVMVJMNPPTOMX-RIYZIHGNSA-N 0 0 448.725 5.670 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408848709 556870172 /nfs/dbraw/zinc/87/01/72/556870172.db2.gz XWPAKHRSBPIJEO-IBCOTZFFSA-N 0 0 439.467 5.049 40 0 IKABRN O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1c1ccc(Cl)cc1 ZINC000409138600 556873369 /nfs/dbraw/zinc/87/33/69/556873369.db2.gz FGLTWBDUXSFUHW-APSNUPSMSA-N 0 0 433.714 5.825 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)c2cccc(C)c2)cc1 ZINC000409142585 556873843 /nfs/dbraw/zinc/87/38/43/556873843.db2.gz LXQGASNWKMGUCF-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)cc1 ZINC000409143217 556873849 /nfs/dbraw/zinc/87/38/49/556873849.db2.gz ZROXCIVVJWNXNR-LTGZKZEYSA-N 0 0 435.570 6.408 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OC(C)C ZINC000409145176 556874135 /nfs/dbraw/zinc/87/41/35/556874135.db2.gz POHPESYZEFZTIW-XDHOZWIPSA-N 0 0 437.989 6.143 40 0 IKABRN CCN1C(=O)S[C@@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000409145348 556874461 /nfs/dbraw/zinc/87/44/61/556874461.db2.gz NVNAERKQVGJMAV-INIZCTEOSA-N 0 0 428.312 5.338 40 0 IKABRN CCOc1cc(C[C@@H]2SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409145278 556874472 /nfs/dbraw/zinc/87/44/72/556874472.db2.gz NYYGTOJCQRCVSZ-NRFANRHFSA-N 0 0 431.529 5.066 40 0 IKABRN O=C1S/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)N1CC1CCCCC1 ZINC000409148639 556875483 /nfs/dbraw/zinc/87/54/83/556875483.db2.gz ZBPQKLJBQGGQPC-CPNJWEJPSA-N 0 0 445.382 5.856 40 0 IKABRN COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O ZINC000409150875 556876542 /nfs/dbraw/zinc/87/65/42/556876542.db2.gz FHHCCPFPXVUHNO-FYJGNVAPSA-N 0 0 446.528 5.140 40 0 IKABRN CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2C)C1=O ZINC000409152530 556878232 /nfs/dbraw/zinc/87/82/32/556878232.db2.gz FNJDEAMLWALCLT-HYARGMPZSA-N 0 0 446.528 5.222 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2CC)cc1 ZINC000409152427 556878488 /nfs/dbraw/zinc/87/84/88/556878488.db2.gz FCZZPKGKHJQLKM-MRXNPFEDSA-N 0 0 442.560 5.179 40 0 IKABRN CC(C)(CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCCO1)c1ccc(F)cc1 ZINC000019740070 556879262 /nfs/dbraw/zinc/87/92/62/556879262.db2.gz FWFXNKVICJQTTB-VWLOTQADSA-N 0 0 428.548 5.047 40 0 IKABRN O=C1S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C(=O)N1Cc1ccccc1 ZINC000409156726 556879952 /nfs/dbraw/zinc/87/99/52/556879952.db2.gz GVMZWQJOKQMDMH-LICLKQGHSA-N 0 0 441.871 5.298 40 0 IKABRN Cc1ccc(-c2nn(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c(=S)o2)cc1 ZINC000409157266 556880419 /nfs/dbraw/zinc/88/04/19/556880419.db2.gz PMPAVAAFOKIVBU-UHFFFAOYSA-N 0 0 442.953 5.597 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c1 ZINC000408906121 556884443 /nfs/dbraw/zinc/88/44/43/556884443.db2.gz CQBDYMBRBMIVTJ-NTEUORMPSA-N 0 0 426.925 5.101 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000408906736 556884689 /nfs/dbraw/zinc/88/46/89/556884689.db2.gz DLCVCPGEKDROFH-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN O=C(NCCSCc1cccs1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408907225 556884975 /nfs/dbraw/zinc/88/49/75/556884975.db2.gz MZRRETZIOYXVJS-UHFFFAOYSA-N 0 0 434.051 6.357 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 ZINC000409158171 556888031 /nfs/dbraw/zinc/88/80/31/556888031.db2.gz SEPKVFBRLXVHHM-VCRXTVNUSA-N 0 0 446.366 5.863 40 0 IKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000408921470 556891055 /nfs/dbraw/zinc/89/10/55/556891055.db2.gz IBRQCSYCKBDGRS-VGOFMYFVSA-N 0 0 444.915 5.240 40 0 IKABRN O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)N1 ZINC000408919410 556891680 /nfs/dbraw/zinc/89/16/80/556891680.db2.gz XMOMEIDMXDHXOF-LHHJGKSTSA-N 0 0 432.090 5.060 40 0 IKABRN O=C(CSCc1cccc(Cl)c1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408925031 556891917 /nfs/dbraw/zinc/89/19/17/556891917.db2.gz RZJQXZVSXVKFDV-UHFFFAOYSA-N 0 0 434.841 5.930 40 0 IKABRN O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000408925997 556891932 /nfs/dbraw/zinc/89/19/32/556891932.db2.gz WGSCMNLXPZYCKB-UHFFFAOYSA-N 0 0 446.981 5.262 40 0 IKABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000408926651 556892063 /nfs/dbraw/zinc/89/20/63/556892063.db2.gz VPMCLAOAUPUTTH-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)c1 ZINC000408926583 556892202 /nfs/dbraw/zinc/89/22/02/556892202.db2.gz UTKYUCCOFYSOIM-SFHVURJKSA-N 0 0 440.590 5.224 40 0 IKABRN COc1ccc(/C=C(/C(=O)NCCSCc2ccccc2Cl)c2ccccc2)cc1 ZINC000408923324 556892395 /nfs/dbraw/zinc/89/23/95/556892395.db2.gz VWIBAMVCBYKSGW-HAVVHWLPSA-N 0 0 437.992 5.939 40 0 IKABRN Cc1cccc(C)c1NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000408923234 556892423 /nfs/dbraw/zinc/89/24/23/556892423.db2.gz UTYNPIHILPSHNS-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl ZINC000408922681 556892432 /nfs/dbraw/zinc/89/24/32/556892432.db2.gz GLWGRTLDZZOEOM-UHFFFAOYSA-N 0 0 434.841 5.930 40 0 IKABRN C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408923929 556892592 /nfs/dbraw/zinc/89/25/92/556892592.db2.gz IGBQJEFYLGPSDU-HNNXBMFYSA-N 0 0 446.981 5.260 40 0 IKABRN COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OCc1ccccc1 ZINC000408931267 556894814 /nfs/dbraw/zinc/89/48/14/556894814.db2.gz JHJWEYBTRXXPOD-BKUYFWCQSA-N 0 0 448.906 5.021 40 0 IKABRN CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1F ZINC000072228978 556901073 /nfs/dbraw/zinc/90/10/73/556901073.db2.gz DRODEBDMJNWUAJ-UHFFFAOYSA-N 0 0 430.115 5.056 40 0 IKABRN CCCOc1cccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)c1 ZINC000072228684 556901085 /nfs/dbraw/zinc/90/10/85/556901085.db2.gz IWARBQMEURYQKQ-UHFFFAOYSA-N 0 0 434.565 5.757 40 0 IKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccc(C)cc4C)c(C)c3s2)n1 ZINC000072228806 556901094 /nfs/dbraw/zinc/90/10/94/556901094.db2.gz VHRFSDXIFKICRJ-UHFFFAOYSA-N 0 0 434.565 5.350 40 0 IKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccc(C(C)C)cc4)c(C)c3s2)n1 ZINC000072228788 556901107 /nfs/dbraw/zinc/90/11/07/556901107.db2.gz YVMWMOWXCKJOIG-UHFFFAOYSA-N 0 0 448.592 5.857 40 0 IKABRN CCc1ccc(OCC(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 ZINC000072228787 556901161 /nfs/dbraw/zinc/90/11/61/556901161.db2.gz DATQHEDSUALXBT-UHFFFAOYSA-N 0 0 434.565 5.296 40 0 IKABRN O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000072242798 556901823 /nfs/dbraw/zinc/90/18/23/556901823.db2.gz GOCXJCJDNDHTEP-UHFFFAOYSA-N 0 0 439.393 5.440 40 0 IKABRN C[C@]12C[C@H](CC(C)(C)C1)[N@@H+]([C@H](C(=O)[O-])c1c[nH]c3cc(NC(=O)c4ccccc4)ccc31)C2 ZINC000036357920 556902367 /nfs/dbraw/zinc/90/23/67/556902367.db2.gz MWHQGYKRJHROFV-UHORWHLBSA-N 0 0 445.563 5.447 40 0 IKABRN O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1ccccc1Cl ZINC000408970457 556904406 /nfs/dbraw/zinc/90/44/06/556904406.db2.gz IEQRCEQPBCFFKT-XGICHPGQSA-N 0 0 443.138 6.859 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408971398 556904742 /nfs/dbraw/zinc/90/47/42/556904742.db2.gz NSLARCQXMNIGRX-UHFFFAOYSA-N 0 0 425.743 5.446 40 0 IKABRN O=C(Nc1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408973523 556904940 /nfs/dbraw/zinc/90/49/40/556904940.db2.gz SYIDYLGCXNTJHE-UHFFFAOYSA-N 0 0 445.268 5.503 40 0 IKABRN COc1ccc(NC(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1 ZINC000408976267 556906259 /nfs/dbraw/zinc/90/62/59/556906259.db2.gz FBSPPUZELMHIDX-UHFFFAOYSA-N 0 0 443.553 6.348 40 0 IKABRN O=C(Nc1ccc2ccccc2c1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408977691 556906902 /nfs/dbraw/zinc/90/69/02/556906902.db2.gz JOPKZALSLPQREV-UHFFFAOYSA-N 0 0 446.466 6.947 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000408972786 556907458 /nfs/dbraw/zinc/90/74/58/556907458.db2.gz FOFFNMZKYWSJHY-HHHXNRCGSA-N 0 0 444.600 5.879 40 0 IKABRN O=C(Nc1ccc2ccccc2c1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408981046 556907715 /nfs/dbraw/zinc/90/77/15/556907715.db2.gz YLVFIGFFDQCELR-UHFFFAOYSA-N 0 0 444.498 6.417 40 0 IKABRN Cc1ccc(NC(=S)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1C ZINC000408979092 556908490 /nfs/dbraw/zinc/90/84/90/556908490.db2.gz LFCUZGPHZVOBJY-UHFFFAOYSA-N 0 0 440.528 6.576 40 0 IKABRN CN(C(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)c1ccccc1 ZINC000408978809 556908578 /nfs/dbraw/zinc/90/85/78/556908578.db2.gz KJMYVOPSHNFQLN-UHFFFAOYSA-N 0 0 426.501 5.983 40 0 IKABRN Cc1ccc(NC(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1 ZINC000408979783 556908682 /nfs/dbraw/zinc/90/86/82/556908682.db2.gz SFVOVBHUSMJMSQ-UHFFFAOYSA-N 0 0 427.554 6.648 40 0 IKABRN COc1cc2c(cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)CCCC2 ZINC000408979598 556908751 /nfs/dbraw/zinc/90/87/51/556908751.db2.gz NCXWPYWUTBCGEF-HSZRJFAPSA-N 0 0 428.532 5.074 40 0 IKABRN CCCN(Cc1ccccc1)C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408980353 556909055 /nfs/dbraw/zinc/90/90/55/556909055.db2.gz VSCPWIHNZKCCAP-UHFFFAOYSA-N 0 0 435.531 5.672 40 0 IKABRN Cc1ccc(CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3s2)c(C)c1 ZINC000408986284 556909581 /nfs/dbraw/zinc/90/95/81/556909581.db2.gz OXYYPVIKEUTFJZ-KDURUIRLSA-N 0 0 436.602 5.885 40 0 IKABRN Cc1ccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c(C)c1 ZINC000408986288 556909603 /nfs/dbraw/zinc/90/96/03/556909603.db2.gz OXYYPVIKEUTFJZ-OALUTQOASA-N 0 0 436.602 5.885 40 0 IKABRN Cc1nc([C@@H]2CCCCN2C(=O)CCC2CCCC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019765062 556909596 /nfs/dbraw/zinc/90/95/96/556909596.db2.gz KGTSJKOPDOTJJP-QFIPXVFZSA-N 0 0 438.547 5.200 40 0 IKABRN Cc1nc([C@@H]2CCCCN2C(=O)CC2CCCCC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019765024 556909649 /nfs/dbraw/zinc/90/96/49/556909649.db2.gz RQDSVHKHOGRWTI-QFIPXVFZSA-N 0 0 438.547 5.200 40 0 IKABRN CCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=N[C@@H]1c1ccccc1OCC ZINC000408987995 556910548 /nfs/dbraw/zinc/91/05/48/556910548.db2.gz GOGDQHRNLVLTDY-OAQYLSRUSA-N 0 0 444.984 5.510 40 0 IKABRN CCOC(=O)C1=C(c2ccccc2)NC(SCc2cccc(C)c2)=N[C@H]1c1ccccc1 ZINC000408988673 556910924 /nfs/dbraw/zinc/91/09/24/556910924.db2.gz IUSSWWFWZWXLRB-DEOSSOPVSA-N 0 0 442.584 5.903 40 0 IKABRN Cc1cccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc3)C(=O)O2)c1 ZINC000408989980 556911204 /nfs/dbraw/zinc/91/12/04/556911204.db2.gz VWCMBSWKRDAKKE-ULJHMMPZSA-N 0 0 439.511 5.856 40 0 IKABRN COc1cc(Br)c(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1OC ZINC000408989148 556911937 /nfs/dbraw/zinc/91/19/37/556911937.db2.gz KEIKDUSUXOMMGH-UHFFFAOYSA-N 0 0 449.370 5.503 40 0 IKABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000408996726 556912452 /nfs/dbraw/zinc/91/24/52/556912452.db2.gz AFWSSPOHSKWNCX-XMMPIXPASA-N 0 0 427.504 5.131 40 0 IKABRN Cc1cc2nc(C3CCN(C(=O)c4oc5ccccc5c4C)CC3)cc(C(F)(F)F)n2n1 ZINC000072340825 556912786 /nfs/dbraw/zinc/91/27/86/556912786.db2.gz XPRQRVFJXWXLKS-UHFFFAOYSA-N 0 0 442.441 5.131 40 0 IKABRN O=c1[nH]c(-c2ccc(Sc3cccc4cccnc43)o2)nc2sc3c(c21)CCCCC3 ZINC000408994541 556913034 /nfs/dbraw/zinc/91/30/34/556913034.db2.gz ZPFIGUOIBDTHCE-UHFFFAOYSA-N 0 0 445.569 6.625 40 0 IKABRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCCCC1)Oc1ccccc1 ZINC000408999917 556914004 /nfs/dbraw/zinc/91/40/04/556914004.db2.gz UEGMPFIGMRFPEP-DEOSSOPVSA-N 0 0 433.552 5.097 40 0 IKABRN COc1ccc(Cl)cc1C1=N/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)O1 ZINC000409002785 556915131 /nfs/dbraw/zinc/91/51/31/556915131.db2.gz ANKINJNPHRITRP-UDWIEESQSA-N 0 0 437.854 5.411 40 0 IKABRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(=O)O1 ZINC000409005363 556915564 /nfs/dbraw/zinc/91/55/64/556915564.db2.gz VENKECQSRUUHFQ-NDENLUEZSA-N 0 0 449.890 5.281 40 0 IKABRN Cc1ccc(COc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cc2)cc1 ZINC000409005458 556915644 /nfs/dbraw/zinc/91/56/44/556915644.db2.gz DOFLNWRCPBHTPY-ULJHMMPZSA-N 0 0 429.541 5.853 40 0 IKABRN CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000072345276 556916788 /nfs/dbraw/zinc/91/67/88/556916788.db2.gz BRNZGUJXELZJIH-UHFFFAOYSA-N 0 0 426.626 5.137 40 0 IKABRN CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)NC1=S 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IHMKSYZRZXNWTC-MDBUFAAASA-N 0 0 436.360 6.407 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409013168 556918896 /nfs/dbraw/zinc/91/88/96/556918896.db2.gz LVHXVCSMMGBVCJ-LPXFMOJISA-N 0 0 436.360 6.407 40 0 IKABRN Cc1sc2nc(C(C)C)n([C@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)c(=O)c2c1C ZINC000072347719 556919006 /nfs/dbraw/zinc/91/90/06/556919006.db2.gz UEPOJFLNFYGHMD-FQEVSTJZSA-N 0 0 449.620 5.094 40 0 IKABRN CCOc1ccc(C2=N/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000409008742 556919039 /nfs/dbraw/zinc/91/90/39/556919039.db2.gz DPLHSYUOUMSKNW-PXLXIMEGSA-N 0 0 433.891 5.662 40 0 IKABRN O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCc1ccccc1 ZINC000409008508 556919111 /nfs/dbraw/zinc/91/91/11/556919111.db2.gz ZMBHEAYPCNNCME-UQQQWYQISA-N 0 0 438.552 5.969 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409017747 556919577 /nfs/dbraw/zinc/91/95/77/556919577.db2.gz VSESTHYLMQBVTQ-PCXKXAPESA-N 0 0 445.968 6.153 40 0 IKABRN COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)cc1 ZINC000072349668 556919735 /nfs/dbraw/zinc/91/97/35/556919735.db2.gz YHNVSGAYVYTHSH-HXUWFJFHSA-N 0 0 425.532 5.187 40 0 IKABRN O=C1C[C@@H](c2ccco2)Cc2c1c(Nc1cc(Cl)cc(Cl)c1)nn2-c1ccccc1 ZINC000019817305 556919955 /nfs/dbraw/zinc/91/99/55/556919955.db2.gz LRPXOXSUTAFYAN-AWEZNQCLSA-N 0 0 438.314 6.428 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cc1 ZINC000072349884 556919941 /nfs/dbraw/zinc/91/99/41/556919941.db2.gz WSMPPSWYXNSUNT-OAQYLSRUSA-N 0 0 447.966 5.304 40 0 IKABRN Cc1ncsc1C(=O)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072349870 556919977 /nfs/dbraw/zinc/91/99/77/556919977.db2.gz ATNDMRRNFHBGEF-UHFFFAOYSA-N 0 0 445.510 5.476 40 0 IKABRN Cc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409014354 556920265 /nfs/dbraw/zinc/92/02/65/556920265.db2.gz OYQJOTFLADXYCI-NDENLUEZSA-N 0 0 443.355 6.329 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000409016731 556921368 /nfs/dbraw/zinc/92/13/68/556921368.db2.gz VNKSSCCLQRKNDH-HIPSJFSSSA-N 0 0 446.906 5.148 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000409021506 556922566 /nfs/dbraw/zinc/92/25/66/556922566.db2.gz KQSNJNZAPDJMBB-UHFFFAOYSA-N 0 0 445.268 5.503 40 0 IKABRN CCc1ccccc1-n1c(=O)c2c3c(sc2[nH]c1=S)CN(Cc1ccccc1)CC3 ZINC000019819709 556923022 /nfs/dbraw/zinc/92/30/22/556923022.db2.gz POFLETHQGIEXAD-UHFFFAOYSA-N 0 0 433.602 5.230 40 0 IKABRN Cc1cccc(C)c1-n1c(=O)c2c3c(sc2[nH]c1=S)CN(Cc1ccccc1)CC3 ZINC000019819717 556923090 /nfs/dbraw/zinc/92/30/90/556923090.db2.gz WKNRSPHVWWTGAA-UHFFFAOYSA-N 0 0 433.602 5.285 40 0 IKABRN Cc1cc(C)cc(-n2c(=O)c3c4c(sc3[nH]c2=S)CN(Cc2ccccc2)CC4)c1 ZINC000019819725 556923174 /nfs/dbraw/zinc/92/31/74/556923174.db2.gz FUVPEEQSOWWALK-UHFFFAOYSA-N 0 0 433.602 5.285 40 0 IKABRN CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000072352243 556923312 /nfs/dbraw/zinc/92/33/12/556923312.db2.gz LBTVTQRJOFXEFG-SFHVURJKSA-N 0 0 445.588 5.033 40 0 IKABRN COc1ccc(CCCc2nnc(SCc3ccc(Br)cc3)o2)cc1C ZINC000409020076 556924294 /nfs/dbraw/zinc/92/42/94/556924294.db2.gz YZMVMRLGCMWPMM-UHFFFAOYSA-N 0 0 433.371 5.617 40 0 IKABRN CC(C)c1ccc(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000409029023 556924947 /nfs/dbraw/zinc/92/49/47/556924947.db2.gz XJTKXDYMJAATCO-UHFFFAOYSA-N 0 0 440.609 5.012 40 0 IKABRN COc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1 ZINC000072353246 556926060 /nfs/dbraw/zinc/92/60/60/556926060.db2.gz DBSLCNJEYVIYDA-QHCPKHFHSA-N 0 0 430.552 5.179 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl ZINC000409027517 556926682 /nfs/dbraw/zinc/92/66/82/556926682.db2.gz DXMVAXGNIGVDFC-UHFFFAOYSA-N 0 0 434.841 5.930 40 0 IKABRN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)C(C)(C)c4cccc(F)c4)C3)nc2)n1 ZINC000072353479 556926737 /nfs/dbraw/zinc/92/67/37/556926737.db2.gz IZXCMQXTYUDIOH-IBGZPJMESA-N 0 0 447.558 5.055 40 0 IKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000409037608 556928988 /nfs/dbraw/zinc/92/89/88/556928988.db2.gz TVLAWMOZWIYLEW-QNGOZBTKSA-N 0 0 434.948 5.523 40 0 IKABRN Cc1nc(CC(=O)N2CCC[C@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)cs1 ZINC000072354123 556929068 /nfs/dbraw/zinc/92/90/68/556929068.db2.gz SSLBKBSJHJJASP-FQEVSTJZSA-N 0 0 440.012 5.348 40 0 IKABRN Cc1nc(CC(=O)N2CCC[C@@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)cs1 ZINC000072354122 556929113 /nfs/dbraw/zinc/92/91/13/556929113.db2.gz SSLBKBSJHJJASP-HXUWFJFHSA-N 0 0 440.012 5.348 40 0 IKABRN COCc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cc1 ZINC000072354143 556929135 /nfs/dbraw/zinc/92/91/35/556929135.db2.gz VIRGMRFZXMQWQM-DEOSSOPVSA-N 0 0 432.539 5.286 40 0 IKABRN Cc1ccn2cc(C(=O)N3CCC[C@@H](c4cc(Cc5ccc(F)cc5)cc(C)n4)C3)nc2c1 ZINC000072354197 556929299 /nfs/dbraw/zinc/92/92/99/556929299.db2.gz NGABSSPAZDSBLK-JOCHJYFZSA-N 0 0 442.538 5.096 40 0 IKABRN Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)n1 ZINC000072354209 556929377 /nfs/dbraw/zinc/92/93/77/556929377.db2.gz XDNJXLKFQUCGJS-NRFANRHFSA-N 0 0 444.966 5.302 40 0 IKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072356065 556930727 /nfs/dbraw/zinc/93/07/27/556930727.db2.gz WIVMLRWIKZILAX-OAQYLSRUSA-N 0 0 439.481 5.414 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4cccc(C)c4)cc(C)n3)C2)cc1 ZINC000072356189 556930797 /nfs/dbraw/zinc/93/07/97/556930797.db2.gz QIIZYBBAERQSEP-RUZDIDTESA-N 0 0 441.575 5.267 40 0 IKABRN COc1ccc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)CCCN(C)c2ccccc2)cc1 ZINC000072356352 556931005 /nfs/dbraw/zinc/93/10/05/556931005.db2.gz CKIRICCYRPCCPL-XMMPIXPASA-N 0 0 432.568 5.056 40 0 IKABRN O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409052676 556931048 /nfs/dbraw/zinc/93/10/48/556931048.db2.gz VJVSIHVIBUAXHB-MOSHPQCFSA-N 0 0 443.883 5.854 40 0 IKABRN CC(C)(C)OC(=O)Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)OC(C)(C)C)ccn1 ZINC000072357465 556931219 /nfs/dbraw/zinc/93/12/19/556931219.db2.gz MGSBPTDWPWBCRZ-KRWDZBQOSA-N 0 0 443.548 5.281 40 0 IKABRN Cc1nc2cc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2s1 ZINC000072356487 556931239 /nfs/dbraw/zinc/93/12/39/556931239.db2.gz DCOSSSHXNWFTHW-IBGZPJMESA-N 0 0 431.536 5.826 40 0 IKABRN CC(C)n1cnc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc21 ZINC000072356476 556931242 /nfs/dbraw/zinc/93/12/42/556931242.db2.gz HHBHJJCJWWESOP-OAQYLSRUSA-N 0 0 442.538 5.838 40 0 IKABRN Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2s1 ZINC000072356488 556931254 /nfs/dbraw/zinc/93/12/54/556931254.db2.gz DCOSSSHXNWFTHW-LJQANCHMSA-N 0 0 431.536 5.826 40 0 IKABRN CC(C)(C)OC(=O)Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)OC(C)(C)C)ccn1 ZINC000072357466 556931285 /nfs/dbraw/zinc/93/12/85/556931285.db2.gz MGSBPTDWPWBCRZ-QGZVFWFLSA-N 0 0 443.548 5.281 40 0 IKABRN O=C1S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1CCOc1ccccc1 ZINC000409053264 556931275 /nfs/dbraw/zinc/93/12/75/556931275.db2.gz BOPANXFWNUHOSL-KQWNVCNZSA-N 0 0 449.503 5.520 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 ZINC000072358094 556931597 /nfs/dbraw/zinc/93/15/97/556931597.db2.gz FTLOJJBQPQBWOE-XMMPIXPASA-N 0 0 433.939 5.262 40 0 IKABRN Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358093 556931602 /nfs/dbraw/zinc/93/16/02/556931602.db2.gz JHLCIEFLRCVRHL-IBGZPJMESA-N 0 0 431.483 5.433 40 0 IKABRN CCc1ncc(CN2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000072358217 556931693 /nfs/dbraw/zinc/93/16/93/556931693.db2.gz BHAUEEKXXUMMLJ-QFIPXVFZSA-N 0 0 426.486 5.381 40 0 IKABRN Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358209 556931716 /nfs/dbraw/zinc/93/17/16/556931716.db2.gz QCUIIEQVCSWHHD-QFIPXVFZSA-N 0 0 443.469 5.202 40 0 IKABRN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358491 556931768 /nfs/dbraw/zinc/93/17/68/556931768.db2.gz BEFYBXGKYCAQRK-QGZVFWFLSA-N 0 0 429.417 5.321 40 0 IKABRN COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000072359567 556932405 /nfs/dbraw/zinc/93/24/05/556932405.db2.gz VFARTXMIJYMDKX-FQEVSTJZSA-N 0 0 435.955 5.144 40 0 IKABRN CCOc1cc(C)c(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1C(C)C ZINC000409051860 556933443 /nfs/dbraw/zinc/93/34/43/556933443.db2.gz NPNVJFVGDGHQRB-JCMHNJIXSA-N 0 0 425.550 5.632 40 0 IKABRN Nc1cccc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)c1 ZINC000072361042 556933460 /nfs/dbraw/zinc/93/34/60/556933460.db2.gz HUUSGVMIXFRVQE-SFHVURJKSA-N 0 0 425.454 5.369 40 0 IKABRN O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000072361054 556933537 /nfs/dbraw/zinc/93/35/37/556933537.db2.gz ZPJHJYJYGURJPX-LJQANCHMSA-N 0 0 437.425 5.016 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)Nc3ccccc32)n1 ZINC000072370045 556933753 /nfs/dbraw/zinc/93/37/53/556933753.db2.gz NDARRHWQEHCKNI-DHLKQENFSA-N 0 0 443.522 5.376 40 0 IKABRN O=C1S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1Cl ZINC000409056062 556933818 /nfs/dbraw/zinc/93/38/18/556933818.db2.gz DRPVCZFCPNZDBB-BKUYFWCQSA-N 0 0 439.895 6.299 40 0 IKABRN Cc1ccc(COc2ccc(-c3cc(-c4ccc(Cl)cc4)nc4ncnn43)cc2)cc1 ZINC000409056631 556934114 /nfs/dbraw/zinc/93/41/14/556934114.db2.gz SKIZOUDHPTWWMJ-UHFFFAOYSA-N 0 0 426.907 5.999 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O ZINC000409056407 556934158 /nfs/dbraw/zinc/93/41/58/556934158.db2.gz DMVJBAQNNJCERK-JCMHNJIXSA-N 0 0 425.550 5.809 40 0 IKABRN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1ccc2nc(C)sc2c1 ZINC000072370265 556934325 /nfs/dbraw/zinc/93/43/25/556934325.db2.gz IEOOVOAHXUPUJV-MRXNPFEDSA-N 0 0 449.601 5.026 40 0 IKABRN COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc1CC2 ZINC000409057011 556934469 /nfs/dbraw/zinc/93/44/69/556934469.db2.gz OIXBZOXPEKUKEP-UHFFFAOYSA-N 0 0 426.541 6.145 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000409057307 556934611 /nfs/dbraw/zinc/93/46/11/556934611.db2.gz JQMNEGUZLPRMBH-NDENLUEZSA-N 0 0 431.941 5.762 40 0 IKABRN COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O ZINC000409059562 556936852 /nfs/dbraw/zinc/93/68/52/556936852.db2.gz QQRRWCWNSYHDPS-HMAPJEAMSA-N 0 0 435.476 5.654 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O ZINC000409054513 556938257 /nfs/dbraw/zinc/93/82/57/556938257.db2.gz AYHRFKQLNWAUNF-STZFKDTASA-N 0 0 429.513 5.640 40 0 IKABRN COc1ccccc1N1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000409061378 556939056 /nfs/dbraw/zinc/93/90/56/556939056.db2.gz WRPUQPCRLKSUTF-IWIPYMOSSA-N 0 0 440.524 5.939 40 0 IKABRN COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3cccc(C)c3)cc2)C1=O ZINC000409055809 556939060 /nfs/dbraw/zinc/93/90/60/556939060.db2.gz BDPJUWOYGZOVMA-HAHDFKILSA-N 0 0 431.513 5.824 40 0 IKABRN O=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1c1ccccc1Cl ZINC000409055783 556939132 /nfs/dbraw/zinc/93/91/32/556939132.db2.gz BDNHFMZBGZDRPE-UUASQNMZSA-N 0 0 438.686 5.072 40 0 IKABRN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1Cl ZINC000409063010 556940442 /nfs/dbraw/zinc/94/04/42/556940442.db2.gz FLIUDHWKGUUKNO-UHFFFAOYSA-N 0 0 432.951 5.806 40 0 IKABRN CCOc1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 ZINC000409065370 556941374 /nfs/dbraw/zinc/94/13/74/556941374.db2.gz LAWDBOPGSDSZGW-HZHRSRAPSA-N 0 0 433.891 5.662 40 0 IKABRN CCOCc1ccc(C(=O)N2CCC[C@@H]2c2cc(Nc3ncccc3C)cc(C)n2)cc1 ZINC000072372650 556943462 /nfs/dbraw/zinc/94/34/62/556943462.db2.gz RYBOXHZKRARFHO-XMMPIXPASA-N 0 0 430.552 5.351 40 0 IKABRN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN3C(=O)C(C)(C)c3ccccc3F)c2)n1 ZINC000072372723 556944135 /nfs/dbraw/zinc/94/41/35/556944135.db2.gz YJEQKCIHXYPWHZ-HSZRJFAPSA-N 0 0 447.558 5.321 40 0 IKABRN CCn1c(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)nnc1-c1cccc(C)c1 ZINC000019927642 556945335 /nfs/dbraw/zinc/94/53/35/556945335.db2.gz KZTMGKUHXDPQPD-UHFFFAOYSA-N 0 0 433.581 5.913 40 0 IKABRN CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1cccc(C)c1 ZINC000019927656 556945377 /nfs/dbraw/zinc/94/53/77/556945377.db2.gz PRKFGEXZFIVMHR-UHFFFAOYSA-N 0 0 446.363 5.923 40 0 IKABRN Cc1nn(C[C@H](C)c2cc(NCC3(c4ccc(C)cc4)CCOCC3)nc(C)n2)c(C)c1C ZINC000072373179 556945839 /nfs/dbraw/zinc/94/58/39/556945839.db2.gz XZOYWASVIBSXBO-IBGZPJMESA-N 0 0 447.627 5.179 40 0 IKABRN Cc1cc(C)cc(OCc2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)o2)c1 ZINC000019928354 556946296 /nfs/dbraw/zinc/94/62/96/556946296.db2.gz WJAPKJQETHCDDL-UHFFFAOYSA-N 0 0 428.901 5.261 40 0 IKABRN Clc1ccc(-c2nnc(CSc3nnc(COc4ccccc4)o3)o2)c(Cl)c1 ZINC000019929085 556947098 /nfs/dbraw/zinc/94/70/98/556947098.db2.gz GUQANFLGFSBOFM-UHFFFAOYSA-N 0 0 435.292 5.298 40 0 IKABRN CC(C)Nc1n[nH]c2nc(C3CCN(C(=O)C4CCCCC4)CC3)cc(C(F)(F)F)c12 ZINC000072374107 556947130 /nfs/dbraw/zinc/94/71/30/556947130.db2.gz SGSPTRSMIRRSPG-UHFFFAOYSA-N 0 0 437.510 5.083 40 0 IKABRN Cc1cccc(-c2nnc(CSc3nnc(COc4ccc(Cl)cc4C)o3)o2)c1 ZINC000019929306 556947396 /nfs/dbraw/zinc/94/73/96/556947396.db2.gz SXFWSUMAZLEHBZ-UHFFFAOYSA-N 0 0 428.901 5.261 40 0 IKABRN COc1cc(/C=C\[N+](=O)[O-])c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409081588 556947611 /nfs/dbraw/zinc/94/76/11/556947611.db2.gz QCYGQJUDHOPDTD-PLNGDYQASA-N 0 0 433.085 5.591 40 0 IKABRN CCCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)NC1=S ZINC000409083029 556948130 /nfs/dbraw/zinc/94/81/30/556948130.db2.gz NHOLHZAGDMUPDB-WQRHYEAKSA-N 0 0 435.376 5.348 40 0 IKABRN Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000409084359 556948442 /nfs/dbraw/zinc/94/84/42/556948442.db2.gz CQVZNOLXDKEXJU-UHFFFAOYSA-N 0 0 429.589 5.954 40 0 IKABRN CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000019931547 556948748 /nfs/dbraw/zinc/94/87/48/556948748.db2.gz HQHZNCBRTHSJTJ-NRFANRHFSA-N 0 0 428.941 5.022 40 0 IKABRN Cc1cc(Cc2ccccc2)cc([C@H]2CCN(C(=O)CCc3nc4ccccc4s3)C2)n1 ZINC000072374786 556948995 /nfs/dbraw/zinc/94/89/95/556948995.db2.gz QFJFSAHFXMMMMT-QFIPXVFZSA-N 0 0 441.600 5.539 40 0 IKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000019932234 556948988 /nfs/dbraw/zinc/94/89/88/556948988.db2.gz MOSULTGHWTUDOR-IBGZPJMESA-N 0 0 429.560 6.184 40 0 IKABRN O=C1N/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N1C1CCCCC1 ZINC000409079430 556949015 /nfs/dbraw/zinc/94/90/15/556949015.db2.gz FUFNAIBZQDJESZ-MOSHPQCFSA-N 0 0 428.891 5.284 40 0 IKABRN CC(C)Oc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000019932218 556949057 /nfs/dbraw/zinc/94/90/57/556949057.db2.gz ZHABBYGJNSXTTN-UHFFFAOYSA-N 0 0 444.940 5.180 40 0 IKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000019932236 556949073 /nfs/dbraw/zinc/94/90/73/556949073.db2.gz MOSULTGHWTUDOR-LJQANCHMSA-N 0 0 429.560 6.184 40 0 IKABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(C(=O)CCc3nc4ccccc4s3)C2)n1 ZINC000072374785 556949138 /nfs/dbraw/zinc/94/91/38/556949138.db2.gz QFJFSAHFXMMMMT-JOCHJYFZSA-N 0 0 441.600 5.539 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C ZINC000409092856 556949286 /nfs/dbraw/zinc/94/92/86/556949286.db2.gz ZVULNRNFJBZOFP-UHFFFAOYSA-N 0 0 449.407 5.947 40 0 IKABRN CC(C)Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000409094105 556949779 /nfs/dbraw/zinc/94/97/79/556949779.db2.gz CUBJCQUMKHLBJM-UHFFFAOYSA-N 0 0 445.386 5.094 40 0 IKABRN O=C1Nc2ccccc2S/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000409094695 556950030 /nfs/dbraw/zinc/95/00/30/556950030.db2.gz GFRKGKUSGLGJES-NHDPSOOVSA-N 0 0 428.340 6.658 40 0 IKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000409094856 556950114 /nfs/dbraw/zinc/95/01/14/556950114.db2.gz AEDCOYXPDRWVKP-ODLFYWEKSA-N 0 0 429.825 6.431 40 0 IKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019933961 556950183 /nfs/dbraw/zinc/95/01/83/556950183.db2.gz QOWQOBPIVMWBNA-SANMLTNESA-N 0 0 442.603 5.395 40 0 IKABRN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 ZINC000072375388 556951001 /nfs/dbraw/zinc/95/10/01/556951001.db2.gz SPBUANLSPGEGSL-OAQYLSRUSA-N 0 0 444.514 5.138 40 0 IKABRN Cc1c(/C=C2\Sc3ccccc3NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409090010 556951665 /nfs/dbraw/zinc/95/16/65/556951665.db2.gz PTCKCODHFYDOFD-OYKKKHCWSA-N 0 0 430.960 6.737 40 0 IKABRN COc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409090424 556951686 /nfs/dbraw/zinc/95/16/86/556951686.db2.gz QQWVPXJHLZKIRC-UHFFFAOYSA-N 0 0 425.916 6.028 40 0 IKABRN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2)n1 ZINC000072375560 556951846 /nfs/dbraw/zinc/95/18/46/556951846.db2.gz HFEMDRFLMBLDFG-HSZRJFAPSA-N 0 0 440.551 5.010 40 0 IKABRN CCOCc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Nc3nc(C)c(C)s3)n2)cc1 ZINC000072375575 556951897 /nfs/dbraw/zinc/95/18/97/556951897.db2.gz HJJWYYYGMOSOEO-OAQYLSRUSA-N 0 0 436.581 5.412 40 0 IKABRN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)n1 ZINC000072375644 556952186 /nfs/dbraw/zinc/95/21/86/556952186.db2.gz LDJPHIWNKPXQDI-JOCHJYFZSA-N 0 0 433.531 5.058 40 0 IKABRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)c(C)c1 ZINC000409104237 556952669 /nfs/dbraw/zinc/95/26/69/556952669.db2.gz GSUBTNVZJAXZMX-UHFFFAOYSA-N 0 0 443.016 5.911 40 0 IKABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O ZINC000409104625 556952878 /nfs/dbraw/zinc/95/28/78/556952878.db2.gz GBXYKOOKJORSHX-CAUNFOBBSA-N 0 0 447.512 5.017 40 0 IKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)c1 ZINC000409104875 556952882 /nfs/dbraw/zinc/95/28/82/556952882.db2.gz KODVLTMISNGCOG-UHFFFAOYSA-N 0 0 428.989 5.602 40 0 IKABRN COc1c(Br)cc(Cl)cc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000409095493 556952943 /nfs/dbraw/zinc/95/29/43/556952943.db2.gz BICWSMLGDOQZKX-XGICHPGQSA-N 0 0 432.623 5.623 40 0 IKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 ZINC000409104505 556952947 /nfs/dbraw/zinc/95/29/47/556952947.db2.gz FMUBHOXMPKXTEY-UHFFFAOYSA-N 0 0 433.964 5.795 40 0 IKABRN CCOc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c2c(OCC)cccc12 ZINC000409104508 556953015 /nfs/dbraw/zinc/95/30/15/556953015.db2.gz FNGSWCPSDNKZSG-PDGQHHTCSA-N 0 0 427.422 6.149 40 0 IKABRN COc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccncc2)cc1 ZINC000409097777 556953547 /nfs/dbraw/zinc/95/35/47/556953547.db2.gz HHGSCQPWAHBAHW-UHFFFAOYSA-N 0 0 443.359 5.937 40 0 IKABRN Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2-c2cccc(C)c2)cc1 ZINC000409099335 556954333 /nfs/dbraw/zinc/95/43/33/556954333.db2.gz QGZWOGJAQORCHM-UHFFFAOYSA-N 0 0 435.980 6.376 40 0 IKABRN Fc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409098925 556954338 /nfs/dbraw/zinc/95/43/38/556954338.db2.gz MTOAZUFZKGCYJR-UHFFFAOYSA-N 0 0 445.950 7.172 40 0 IKABRN COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000409100016 556954985 /nfs/dbraw/zinc/95/49/85/556954985.db2.gz PFRQVUMVENYPFV-FMCGGJTJSA-N 0 0 433.485 5.088 40 0 IKABRN Fc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409100732 556955469 /nfs/dbraw/zinc/95/54/69/556955469.db2.gz RWHKYDIPGVJWTN-UHFFFAOYSA-N 0 0 425.916 5.898 40 0 IKABRN CCOc1c(Br)cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OC ZINC000409101714 556956053 /nfs/dbraw/zinc/95/60/53/556956053.db2.gz QRYFXJFHGHNKKW-MLPAPPSSSA-N 0 0 442.231 5.368 40 0 IKABRN Cc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1 ZINC000409102846 556956615 /nfs/dbraw/zinc/95/66/15/556956615.db2.gz UKHUEGVTBSLBDC-UHFFFAOYSA-N 0 0 426.372 6.842 40 0 IKABRN CCOc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccccc1 ZINC000409109838 556957184 /nfs/dbraw/zinc/95/71/84/556957184.db2.gz MLPLNRDMKRHIFI-UHFFFAOYSA-N 0 0 440.381 6.656 40 0 IKABRN Cc1ccc(Cl)cc1NCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000409109401 556957199 /nfs/dbraw/zinc/95/71/99/556957199.db2.gz CYYDVZBCQJLXKV-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 ZINC000409111142 556957588 /nfs/dbraw/zinc/95/75/88/556957588.db2.gz BVGRKIGNPLSRFM-UHFFFAOYSA-N 0 0 426.354 6.266 40 0 IKABRN CCCOc1c(I)cc(CNc2cc(Cl)ccc2C)cc1OC ZINC000409111428 556957596 /nfs/dbraw/zinc/95/75/96/556957596.db2.gz AMLXHRHXUXQWKT-UHFFFAOYSA-N 0 0 445.728 5.663 40 0 IKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 ZINC000409111124 556957601 /nfs/dbraw/zinc/95/76/01/556957601.db2.gz AKHWJKHWMYWSLJ-UHFFFAOYSA-N 0 0 435.980 6.203 40 0 IKABRN O=C(Nc1cccnc1)c1c2c(sc1NC(=O)C13CC4CC(CC(C4)C1)C3)CCCC2 ZINC000409112180 556957854 /nfs/dbraw/zinc/95/78/54/556957854.db2.gz KOZJREAYXFDZDT-UHFFFAOYSA-N 0 0 435.593 5.429 40 0 IKABRN CCc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1 ZINC000409111884 556957903 /nfs/dbraw/zinc/95/79/03/556957903.db2.gz CWKUNJAGFQNTGD-UHFFFAOYSA-N 0 0 440.399 7.096 40 0 IKABRN CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(F)cc1 ZINC000409113199 556958059 /nfs/dbraw/zinc/95/80/59/556958059.db2.gz IMFODHHADFEBPK-UHFFFAOYSA-N 0 0 443.518 7.208 40 0 IKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc21 ZINC000409113509 556958304 /nfs/dbraw/zinc/95/83/04/556958304.db2.gz GNVNYRBEDZVATR-UHFFFAOYSA-N 0 0 431.963 7.391 40 0 IKABRN CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000409113413 556958374 /nfs/dbraw/zinc/95/83/74/556958374.db2.gz FVTRPNFHWLZPEM-UHFFFAOYSA-N 0 0 440.381 6.656 40 0 IKABRN CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C1=O ZINC000409106311 556958907 /nfs/dbraw/zinc/95/89/07/556958907.db2.gz KYXNDIZIBZGPRB-LICLKQGHSA-N 0 0 436.302 5.223 40 0 IKABRN CCCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1 ZINC000409106363 556958921 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ZINC000408562462 557040329 /nfs/dbraw/zinc/04/03/29/557040329.db2.gz PSNTWGZIGPPONU-LNVKXUELSA-N 0 0 429.383 5.665 40 0 IKABRN CCCCOc1ccc(C(=O)/N=c2\sc(CCC)c(-c3ccc(F)cc3)n2CC)cc1 ZINC000408564583 557040340 /nfs/dbraw/zinc/04/03/40/557040340.db2.gz ZSHFRLJFTJGBQK-RFBIWTDZSA-N 0 0 440.584 6.248 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)N1NC2=C(CCCCC2)[C@@]1(O)C(F)(F)F ZINC000408563574 557040699 /nfs/dbraw/zinc/04/06/99/557040699.db2.gz OIVQUUNMACWVLR-DENIHFKCSA-N 0 0 438.490 5.143 40 0 IKABRN COc1ccc(CCNC(=S)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408571592 557040808 /nfs/dbraw/zinc/04/08/08/557040808.db2.gz BTLAKWROXCWGTF-UHFFFAOYSA-N 0 0 441.980 5.444 40 0 IKABRN S=C(NCc1ccccc1Cl)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408571917 557040860 /nfs/dbraw/zinc/04/08/60/557040860.db2.gz DHDJZRMEFNBSCY-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN CC1CCN(C(=S)c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000408572028 557040891 /nfs/dbraw/zinc/04/08/91/557040891.db2.gz DWXNLJOARKGKGD-UHFFFAOYSA-N 0 0 428.812 6.633 40 0 IKABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000408563471 557040898 /nfs/dbraw/zinc/04/08/98/557040898.db2.gz NDWMJLNCCOCOOU-UHFFFAOYSA-N 0 0 432.589 6.022 40 0 IKABRN COc1cccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)c1 ZINC000408571819 557040929 /nfs/dbraw/zinc/04/09/29/557040929.db2.gz CRAAQIFNDSIJKJ-UHFFFAOYSA-N 0 0 442.378 5.502 40 0 IKABRN Cc1ccccc1CNC(=S)c1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000408572140 557041069 /nfs/dbraw/zinc/04/10/69/557041069.db2.gz FIYWZGINUSQCRK-UHFFFAOYSA-N 0 0 434.363 6.485 40 0 IKABRN S=C(NCc1ccco1)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408572103 557041084 /nfs/dbraw/zinc/04/10/84/557041084.db2.gz FFONYVPKPMSHQK-UHFFFAOYSA-N 0 0 426.752 6.284 40 0 IKABRN COc1ccc(CCNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408572607 557041115 /nfs/dbraw/zinc/04/11/15/557041115.db2.gz HJCYHCRMCUMDKE-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN CCOc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccccc1Cl ZINC000408572457 557041126 /nfs/dbraw/zinc/04/11/26/557041126.db2.gz HELJRYIKTHIJHX-UHFFFAOYSA-N 0 0 425.981 5.826 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccccc1 ZINC000408564628 557041292 /nfs/dbraw/zinc/04/12/92/557041292.db2.gz ZZAYIEWCCWETSY-LNVKXUELSA-N 0 0 429.383 5.693 40 0 IKABRN Cc1ccc(CNC(=S)c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408572750 557041318 /nfs/dbraw/zinc/04/13/18/557041318.db2.gz IAYPFTYIULGNCK-UHFFFAOYSA-N 0 0 426.379 5.802 40 0 IKABRN COc1cccc(CNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1 ZINC000408572682 557041344 /nfs/dbraw/zinc/04/13/44/557041344.db2.gz HPQBWPDVPUXSRV-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1cc(C(=S)NCc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000408571253 557042244 /nfs/dbraw/zinc/04/22/44/557042244.db2.gz ARVZJXZFFDIMFV-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000408571375 557042349 /nfs/dbraw/zinc/04/23/49/557042349.db2.gz AMQOBZKRRIQDKD-SDNWHVSQSA-N 0 0 428.444 5.452 40 0 IKABRN S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408571499 557042367 /nfs/dbraw/zinc/04/23/67/557042367.db2.gz BIJBSKNFOLWZDS-UHFFFAOYSA-N 0 0 446.355 5.766 40 0 IKABRN CCc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nn12 ZINC000408575340 557042618 /nfs/dbraw/zinc/04/26/18/557042618.db2.gz ULRVIYDMNSSDND-FYWRMAATSA-N 0 0 441.516 5.327 40 0 IKABRN COc1cc(C(=S)NCc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408573699 557042696 /nfs/dbraw/zinc/04/26/96/557042696.db2.gz JWXOVEADEZZDOK-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN COc1cccc(C(=S)NCc2ccccc2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408573697 557042704 /nfs/dbraw/zinc/04/27/04/557042704.db2.gz JWOPOSNKFYNLPO-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCOc1cc(C(=S)NCCc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000408573837 557042714 /nfs/dbraw/zinc/04/27/14/557042714.db2.gz KXEJRFLEDRTJME-UHFFFAOYSA-N 0 0 425.981 5.826 40 0 IKABRN S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408573747 557042730 /nfs/dbraw/zinc/04/27/30/557042730.db2.gz KGFJLHBOPLYHRS-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN COc1ccccc1CNC(=S)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408574245 557042768 /nfs/dbraw/zinc/04/27/68/557042768.db2.gz LFOIQMXUAXXBFL-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409270547 557042800 /nfs/dbraw/zinc/04/28/00/557042800.db2.gz QTIAKSUHHSILDN-UHFFFAOYSA-N 0 0 441.314 6.287 40 0 IKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000409270542 557042822 /nfs/dbraw/zinc/04/28/22/557042822.db2.gz QRZITUDJJLTQKX-UHFFFAOYSA-N 0 0 449.765 6.585 40 0 IKABRN S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000408574630 557042942 /nfs/dbraw/zinc/04/29/42/557042942.db2.gz MCYOSPCCEFGJOC-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN S=C(NCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408576646 557042976 /nfs/dbraw/zinc/04/29/76/557042976.db2.gz QHBXZRXKOMLSEX-UHFFFAOYSA-N 0 0 446.797 6.147 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1F ZINC000408576472 557043005 /nfs/dbraw/zinc/04/30/05/557043005.db2.gz VTNHOJSONMEYFH-UHFFFAOYSA-N 0 0 439.295 5.186 40 0 IKABRN COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408574283 557043100 /nfs/dbraw/zinc/04/31/00/557043100.db2.gz LLZVYVIFIBDLAK-OAHLLOKOSA-N 0 0 426.365 5.025 40 0 IKABRN Cc1ccccc1CNC(=S)c1cc(Br)ccc1OCc1ccccc1 ZINC000408577909 557043605 /nfs/dbraw/zinc/04/36/05/557043605.db2.gz VQDUNHIWDICMOP-UHFFFAOYSA-N 0 0 426.379 5.802 40 0 IKABRN Cc1ccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000408577913 557043665 /nfs/dbraw/zinc/04/36/65/557043665.db2.gz VRKFYFKZPKETDF-UHFFFAOYSA-N 0 0 426.379 5.802 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408577820 557043685 /nfs/dbraw/zinc/04/36/85/557043685.db2.gz UNGZVTBUKXXUON-UHFFFAOYSA-N 0 0 440.008 6.345 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408578117 557043896 /nfs/dbraw/zinc/04/38/96/557043896.db2.gz VSCGSQSZMFMSAX-UHFFFAOYSA-N 0 0 446.399 6.436 40 0 IKABRN S=C(NCc1ccccc1Cl)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408578275 557043909 /nfs/dbraw/zinc/04/39/09/557043909.db2.gz XBXYEQWCNKIMND-UHFFFAOYSA-N 0 0 446.797 6.147 40 0 IKABRN Fc1ccc(CNC(=S)c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408578299 557043967 /nfs/dbraw/zinc/04/39/67/557043967.db2.gz XIIMNUFTCURKGA-UHFFFAOYSA-N 0 0 430.342 5.633 40 0 IKABRN Cc1cccc(CNC(=S)c2cc(Br)ccc2OCc2ccccc2)c1 ZINC000408578364 557043976 /nfs/dbraw/zinc/04/39/76/557043976.db2.gz XTZBCXHULLBTHW-UHFFFAOYSA-N 0 0 426.379 5.802 40 0 IKABRN CCc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000408578560 557044325 /nfs/dbraw/zinc/04/43/25/557044325.db2.gz YTJWIOBWBUIMCW-UHFFFAOYSA-N 0 0 430.400 6.600 40 0 IKABRN Cc1nc(-c2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2)c(C)s1 ZINC000408579871 557044568 /nfs/dbraw/zinc/04/45/68/557044568.db2.gz KWNQZMKIFFXNKE-UHFFFAOYSA-N 0 0 430.323 5.229 40 0 IKABRN CCc1sc(C)nc1-c1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000408579979 557044579 /nfs/dbraw/zinc/04/45/79/557044579.db2.gz MHLMPBZAEHTBRP-UHFFFAOYSA-N 0 0 444.350 5.483 40 0 IKABRN Cc1nc(-c2ccc(C(=O)Nc3ccc(I)cc3)cc2)c(C)s1 ZINC000408580630 557044803 /nfs/dbraw/zinc/04/48/03/557044803.db2.gz QDEAQKPHBVDTHO-UHFFFAOYSA-N 0 0 434.302 5.284 40 0 IKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(I)cc2)cc1 ZINC000408580223 557044836 /nfs/dbraw/zinc/04/48/36/557044836.db2.gz NCURTILZCSVDAY-UHFFFAOYSA-N 0 0 448.329 5.538 40 0 IKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408580680 557044856 /nfs/dbraw/zinc/04/48/56/557044856.db2.gz QQFGFBFGESCAAS-OAQYLSRUSA-N 0 0 447.343 5.613 40 0 IKABRN FC(F)(F)c1cc(-c2ccc(Br)cc2)nc(SCc2ccccc2)n1 ZINC000408582680 557044950 /nfs/dbraw/zinc/04/49/50/557044950.db2.gz OWNDEKDBCDRVQA-UHFFFAOYSA-N 0 0 425.273 6.217 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)N1CCCCCC1 ZINC000408583263 557045168 /nfs/dbraw/zinc/04/51/68/557045168.db2.gz GRZLZDNRIMPCGA-UHFFFAOYSA-N 0 0 442.368 5.202 40 0 IKABRN CCOC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)cc2)sc2c1CCC2 ZINC000408575759 557045477 /nfs/dbraw/zinc/04/54/77/557045477.db2.gz QJURNVIPWOMIPH-UHFFFAOYSA-N 0 0 437.586 5.958 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2OC)ccc1OCc1ccc(Cl)cc1 ZINC000408576034 557045485 /nfs/dbraw/zinc/04/54/85/557045485.db2.gz PJEWPCGRFZOICE-UHFFFAOYSA-N 0 0 441.980 5.792 40 0 IKABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)ccc1Br ZINC000408576209 557045553 /nfs/dbraw/zinc/04/55/53/557045553.db2.gz WAZYDEPODNZXRC-FMIVXFBMSA-N 0 0 441.350 5.544 40 0 IKABRN O=C(CSCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000408586795 557045879 /nfs/dbraw/zinc/04/58/79/557045879.db2.gz QWUREOSBFLSEKV-UHFFFAOYSA-N 0 0 438.163 5.611 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000408585259 557045872 /nfs/dbraw/zinc/04/58/72/557045872.db2.gz YFXJHUAITLGFAT-UHFFFAOYSA-N 0 0 442.625 5.301 40 0 IKABRN CCCC(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000408576301 557045875 /nfs/dbraw/zinc/04/58/75/557045875.db2.gz XDFZPFUQKHKACX-JQIJEIRASA-N 0 0 433.533 5.212 40 0 IKABRN COc1ccccc1Oc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1 ZINC000408586088 557045939 /nfs/dbraw/zinc/04/59/39/557045939.db2.gz LAQZYNRAHNFOJV-UHFFFAOYSA-N 0 0 428.282 5.511 40 0 IKABRN Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)c1 ZINC000409229172 557055136 /nfs/dbraw/zinc/05/51/36/557055136.db2.gz KSKNHRMTTWGRAH-UNOMPAQXSA-N 0 0 437.293 5.110 40 0 IKABRN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000408597180 557056667 /nfs/dbraw/zinc/05/66/67/557056667.db2.gz YDQXTSMKNBHQSW-UHFFFAOYSA-N 0 0 432.170 5.500 40 0 IKABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000408598737 557057126 /nfs/dbraw/zinc/05/71/26/557057126.db2.gz AIYVVXRXWGSTOT-VXLYETTFSA-N 0 0 444.940 5.050 40 0 IKABRN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1Cl ZINC000408594850 557058388 /nfs/dbraw/zinc/05/83/88/557058388.db2.gz PLATWSINSZYJMF-UHFFFAOYSA-N 0 0 428.941 5.667 40 0 IKABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000409231722 557058479 /nfs/dbraw/zinc/05/84/79/557058479.db2.gz LSHUPQSKKTVNBJ-HZHRSRAPSA-N 0 0 433.529 5.874 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O ZINC000409230602 557058519 /nfs/dbraw/zinc/05/85/19/557058519.db2.gz ZXRSJWXIORAMBM-WOJGMQOQSA-N 0 0 435.904 5.513 40 0 IKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000408596287 557059807 /nfs/dbraw/zinc/05/98/07/557059807.db2.gz RAUBSAVOGKSMAO-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN Cc1cc(Br)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1C ZINC000408596602 557060047 /nfs/dbraw/zinc/06/00/47/557060047.db2.gz SACUQKSJUDTYDE-UHFFFAOYSA-N 0 0 432.170 5.500 40 0 IKABRN O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408600793 557061117 /nfs/dbraw/zinc/06/11/17/557061117.db2.gz GEUSASADPVTYIV-VXLYETTFSA-N 0 0 431.847 6.115 40 0 IKABRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000408598890 557061552 /nfs/dbraw/zinc/06/15/52/557061552.db2.gz CGYMDBQFPWOOPO-UHFFFAOYSA-N 0 0 426.545 5.553 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cc2cccc(OC)c2o1 ZINC000409327553 557062040 /nfs/dbraw/zinc/06/20/40/557062040.db2.gz KTWQDTPFBHFEGY-UHFFFAOYSA-N 0 0 436.537 5.067 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000409328796 557063175 /nfs/dbraw/zinc/06/31/75/557063175.db2.gz AVMUYZIQKZJIHP-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O ZINC000408599750 557063345 /nfs/dbraw/zinc/06/33/45/557063345.db2.gz KBVHMSLNGLQNKF-YBFXNURJSA-N 0 0 446.366 5.720 40 0 IKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(C)C)C2=O)c(C)c1 ZINC000408599633 557063382 /nfs/dbraw/zinc/06/33/82/557063382.db2.gz IMUMILPZORIQPZ-CIAFOILYSA-N 0 0 438.549 5.013 40 0 IKABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000408600474 557064494 /nfs/dbraw/zinc/06/44/94/557064494.db2.gz ZLOQSCGFYKBXDD-YBFXNURJSA-N 0 0 446.366 5.720 40 0 IKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1OC ZINC000408610696 557064873 /nfs/dbraw/zinc/06/48/73/557064873.db2.gz RMBLOTLMFYHHQH-UHFFFAOYSA-N 0 0 435.664 5.103 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1Cl ZINC000408612241 557067570 /nfs/dbraw/zinc/06/75/70/557067570.db2.gz XZWSPKQTBZVTNI-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1cc(Br)ccc1NCc1ccccc1OCc1cccc2ccccc21 ZINC000408602641 557068805 /nfs/dbraw/zinc/06/88/05/557068805.db2.gz AIFQXXRAPRFBHO-UHFFFAOYSA-N 0 0 432.361 7.102 40 0 IKABRN Cc1cc(Br)ccc1NCc1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000408602807 557068846 /nfs/dbraw/zinc/06/88/46/557068846.db2.gz AVOJGGYBNGMUPJ-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN Cc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408606351 557069455 /nfs/dbraw/zinc/06/94/55/557069455.db2.gz LPFPHIGPLVZGAM-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1cc(Br)ccc1NCc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000408605952 557069491 /nfs/dbraw/zinc/06/94/91/557069491.db2.gz HTORFFPIRFJDBW-UHFFFAOYSA-N 0 0 439.784 7.026 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Br)cc3C)cc2)c1 ZINC000408605339 557069509 /nfs/dbraw/zinc/06/95/09/557069509.db2.gz 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/nfs/dbraw/zinc/07/42/05/557074205.db2.gz WGYZGCVWQGSRSI-ZVHZXABRSA-N 0 0 439.490 5.230 40 0 IKABRN CSc1nc2sc(C(=O)Nc3c(Cl)cccc3Cl)cc2c(N2CCCC2)n1 ZINC000408618831 557075372 /nfs/dbraw/zinc/07/53/72/557075372.db2.gz HACLQVHYEWNQRF-UHFFFAOYSA-N 0 0 439.393 5.573 40 0 IKABRN O=C(Nc1c(Cl)cccc1Cl)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408619578 557075666 /nfs/dbraw/zinc/07/56/66/557075666.db2.gz JLMMHEHGXLQWRP-UHFFFAOYSA-N 0 0 443.717 6.388 40 0 IKABRN COc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc(Br)c1OC ZINC000408620347 557075746 /nfs/dbraw/zinc/07/57/46/557075746.db2.gz LYKXOYGTTHCGKY-UHFFFAOYSA-N 0 0 442.309 5.819 40 0 IKABRN Cc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408621260 557076045 /nfs/dbraw/zinc/07/60/45/557076045.db2.gz OXIXGYUQDZJBCS-UHFFFAOYSA-N 0 0 449.016 5.073 40 0 IKABRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c(C)c1 ZINC000409348167 557076233 /nfs/dbraw/zinc/07/62/33/557076233.db2.gz RVMTUEOEUJVOQM-UHFFFAOYSA-N 0 0 435.380 5.445 40 0 IKABRN 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ZINC000408637540 557077988 /nfs/dbraw/zinc/07/79/88/557077988.db2.gz AGGAKZCSKDCRMP-RBBKRZOGSA-N 0 0 428.532 5.644 40 0 IKABRN Cc1ccccc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000409262216 557078060 /nfs/dbraw/zinc/07/80/60/557078060.db2.gz FVFFAPRRTKJNLL-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)cc1C ZINC000408638316 557078625 /nfs/dbraw/zinc/07/86/25/557078625.db2.gz CDSZFBMIICYUSE-UNMCSNQZSA-N 0 0 428.532 5.644 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc5ccccc54)C3)cc2)cc1 ZINC000408638786 557078637 /nfs/dbraw/zinc/07/86/37/557078637.db2.gz DNBOULZPYRXRLS-OAQYLSRUSA-N 0 0 436.511 5.932 40 0 IKABRN Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 ZINC000408638669 557078663 /nfs/dbraw/zinc/07/86/63/557078663.db2.gz DCTSVEMZNHQOSC-GOSISDBHSA-N 0 0 434.923 5.741 40 0 IKABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000409351013 557078691 /nfs/dbraw/zinc/07/86/91/557078691.db2.gz WUDHQLWYYUMTAW-RSZPVBOMSA-N 0 0 438.549 5.156 40 0 IKABRN Cc1ccc(NC(=O)COc2cccc(CNc3cc(Cl)ccc3C)c2)cc1Cl ZINC000409264585 557078838 /nfs/dbraw/zinc/07/88/38/557078838.db2.gz LCJHEMIERDIYII-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN Cc1cccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000409264994 557078902 /nfs/dbraw/zinc/07/89/02/557078902.db2.gz MCVNOTAIRTUFPK-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)cc1C ZINC000408639688 557078954 /nfs/dbraw/zinc/07/89/54/557078954.db2.gz GWOPINJBYOFDPV-LJQANCHMSA-N 0 0 448.950 6.049 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c(C)c1 ZINC000408639605 557078956 /nfs/dbraw/zinc/07/89/56/557078956.db2.gz GEWZWAGROVGOKD-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)cc1 ZINC000408640717 557079211 /nfs/dbraw/zinc/07/92/11/557079211.db2.gz ILXWOTCFIHFHEL-LJQANCHMSA-N 0 0 428.532 5.768 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)c1 ZINC000408641307 557079852 /nfs/dbraw/zinc/07/98/52/557079852.db2.gz JWEUSLVQCJGWLK-GOSISDBHSA-N 0 0 434.923 5.741 40 0 IKABRN CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000409243458 557079996 /nfs/dbraw/zinc/07/99/96/557079996.db2.gz YTPDVMYZJQWUDO-OQLLNIDSSA-N 0 0 426.719 5.809 40 0 IKABRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O ZINC000408641728 557080212 /nfs/dbraw/zinc/08/02/12/557080212.db2.gz MIUXICINRHYTCN-IBGZPJMESA-N 0 0 430.504 5.178 40 0 IKABRN CCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)C1=O ZINC000409353150 557080231 /nfs/dbraw/zinc/08/02/31/557080231.db2.gz HLSFTQWABFAIAQ-KGENOOAVSA-N 0 0 438.549 5.274 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1 ZINC000409353109 557080263 /nfs/dbraw/zinc/08/02/63/557080263.db2.gz GUHUCRINKPFJSW-CXUHLZMHSA-N 0 0 425.815 5.278 40 0 IKABRN Cc1c(Cl)c(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408642806 557080543 /nfs/dbraw/zinc/08/05/43/557080543.db2.gz NWNKKYHLXUSCMY-NSHDSACASA-N 0 0 442.140 5.056 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)c1C ZINC000408642387 557080545 /nfs/dbraw/zinc/08/05/45/557080545.db2.gz OKCIIMLYHXPHHP-LJQANCHMSA-N 0 0 448.950 6.049 40 0 IKABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O ZINC000408642653 557080563 /nfs/dbraw/zinc/08/05/63/557080563.db2.gz PIPKJSXUIZHKST-HXUWFJFHSA-N 0 0 444.531 5.486 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409247748 557080611 /nfs/dbraw/zinc/08/06/11/557080611.db2.gz AYLKQLWIWJEPIH-MHZLTWQESA-N 0 0 444.600 6.145 40 0 IKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc5ccccc54)cc3)C2=O)cc1 ZINC000409249245 557080633 /nfs/dbraw/zinc/08/06/33/557080633.db2.gz SRXXQHBVUISKRB-WPWMEQJKSA-N 0 0 448.522 5.820 40 0 IKABRN Cc1ccc(Cn2cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c3ccccc32)cc1 ZINC000409249783 557080700 /nfs/dbraw/zinc/08/07/00/557080700.db2.gz VPCSXGRGADNPOO-MFKUBSTISA-N 0 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ZINC000408703445 557120950 /nfs/dbraw/zinc/12/09/50/557120950.db2.gz GAYCOVWYDYDNFM-HSZRJFAPSA-N 0 0 428.985 5.177 40 0 IKABRN Cn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409341983 557120939 /nfs/dbraw/zinc/12/09/39/557120939.db2.gz AXJVYYXOFWBDIZ-UHFFFAOYSA-N 0 0 448.935 5.766 40 0 IKABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000408703305 557120982 /nfs/dbraw/zinc/12/09/82/557120982.db2.gz RIMMMQOXGRVDHL-UHFFFAOYSA-N 0 0 441.380 5.119 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000001098809 557121089 /nfs/dbraw/zinc/12/10/89/557121089.db2.gz RIBBEKPEQIYXNX-UHFFFAOYSA-N 0 0 445.744 6.247 40 0 IKABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408703879 557121637 /nfs/dbraw/zinc/12/16/37/557121637.db2.gz UYLTUURVAXIQKT-UHFFFAOYSA-N 0 0 441.380 5.119 40 0 IKABRN Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc3ccccc3c2C)n1C ZINC000101188692 557121639 /nfs/dbraw/zinc/12/16/39/557121639.db2.gz KJJPMHZXLMBUMS-UHFFFAOYSA-N 0 0 446.576 5.203 40 0 IKABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000101189253 557121813 /nfs/dbraw/zinc/12/18/13/557121813.db2.gz DVAXCWNRYMVXNE-UHFFFAOYSA-N 0 0 444.988 5.186 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nnc2-c2ccccc2)cc1 ZINC000101189616 557121872 /nfs/dbraw/zinc/12/18/72/557121872.db2.gz GNQPFSFEXPGBEN-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)c1 ZINC000101190110 557121894 /nfs/dbraw/zinc/12/18/94/557121894.db2.gz HEAZSHWKQIGOPY-UHFFFAOYSA-N 0 0 446.576 5.203 40 0 IKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)c1 ZINC000101189335 557121956 /nfs/dbraw/zinc/12/19/56/557121956.db2.gz BRIJMGACHKLOEZ-UHFFFAOYSA-N 0 0 446.576 5.203 40 0 IKABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000101189682 557121964 /nfs/dbraw/zinc/12/19/64/557121964.db2.gz GTRPLYPQJHNAGH-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408704107 557122353 /nfs/dbraw/zinc/12/23/53/557122353.db2.gz XPPILZCZMASWGV-UHFFFAOYSA-N 0 0 449.016 5.589 40 0 IKABRN CCOc1ccc(Cl)cc1C=C1SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000409343825 557122575 /nfs/dbraw/zinc/12/25/75/557122575.db2.gz INCDELVCOXKHQG-VCHYOVAHSA-N 0 0 436.316 5.311 40 0 IKABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4cc(C)ccc4C)C3=O)c[nH]c21 ZINC000409343940 557122582 /nfs/dbraw/zinc/12/25/82/557122582.db2.gz FYBGYOCKEYKSED-JAIQZWGSSA-N 0 0 433.533 5.022 40 0 IKABRN O=C(Nc1ccccc1F)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704560 557123776 /nfs/dbraw/zinc/12/37/76/557123776.db2.gz POUKWZYZEOSGPA-QHCPKHFHSA-N 0 0 440.927 5.506 40 0 IKABRN O=C(Nc1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704534 557123874 /nfs/dbraw/zinc/12/38/74/557123874.db2.gz PEPCNNRGKAJQJO-HSZRJFAPSA-N 0 0 440.927 5.506 40 0 IKABRN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1sc2cc(Cl)ccc2c1Cl ZINC000020609868 557125247 /nfs/dbraw/zinc/12/52/47/557125247.db2.gz CKLDBCPMLDDWHB-UHFFFAOYSA-N 0 0 439.327 6.194 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2cccc(Cl)c2Cl)C1=O)c1ccc(Cl)cc1 ZINC000409346072 557126821 /nfs/dbraw/zinc/12/68/21/557126821.db2.gz MIOFNRLGDZSGRJ-OVCLIPMQSA-N 0 0 426.708 5.566 40 0 IKABRN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000001909636 557127262 /nfs/dbraw/zinc/12/72/62/557127262.db2.gz FGCONHCKASSTGI-OAHLLOKOSA-N 0 0 429.582 5.507 40 0 IKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000020765691 557127490 /nfs/dbraw/zinc/12/74/90/557127490.db2.gz DCPGZMUALFUGCZ-UHFFFAOYSA-N 0 0 440.952 5.042 40 0 IKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 ZINC000409348060 557127772 /nfs/dbraw/zinc/12/77/72/557127772.db2.gz OPWQGTMQSWYKLS-WBRURWICSA-N 0 0 438.549 5.156 40 0 IKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cc(C)ccc4C)ccc32)cc1 ZINC000020765996 557128022 /nfs/dbraw/zinc/12/80/22/557128022.db2.gz MWVNNLDGYVRMEK-UHFFFAOYSA-N 0 0 434.561 5.006 40 0 IKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4c(C)cccc4C)ccc32)cc1 ZINC000020765999 557128099 /nfs/dbraw/zinc/12/80/99/557128099.db2.gz KRMLYNXKUINLCF-UHFFFAOYSA-N 0 0 434.561 5.006 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766362 557128380 /nfs/dbraw/zinc/12/83/80/557128380.db2.gz OJHPMELXDJYPLJ-UHFFFAOYSA-N 0 0 440.952 5.042 40 0 IKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000408705847 557128659 /nfs/dbraw/zinc/12/86/59/557128659.db2.gz OOEXIWONYZHFIK-IBGZPJMESA-N 0 0 428.381 5.209 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc(C)c1Cl ZINC000408705587 557128662 /nfs/dbraw/zinc/12/86/62/557128662.db2.gz JBILRXHZSZETDA-CQSZACIVSA-N 0 0 430.372 5.566 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc(C)c1Cl ZINC000408705808 557128731 /nfs/dbraw/zinc/12/87/31/557128731.db2.gz NUFDGKGOIWXJAG-KRWDZBQOSA-N 0 0 428.960 5.425 40 0 IKABRN CCCCCOc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 ZINC000408707722 557128946 /nfs/dbraw/zinc/12/89/46/557128946.db2.gz CWMAKFKPOXFWKK-UHFFFAOYSA-N 0 0 430.548 5.142 40 0 IKABRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)c1 ZINC000409348723 557129433 /nfs/dbraw/zinc/12/94/33/557129433.db2.gz SICHPYMWOQNQRM-RQZCQDPDSA-N 0 0 435.332 5.285 40 0 IKABRN CSc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000409351988 557129889 /nfs/dbraw/zinc/12/98/89/557129889.db2.gz VJAWSZJJPUTONO-HHHXNRCGSA-N 0 0 436.580 6.774 40 0 IKABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)c1C ZINC000409352141 557130541 /nfs/dbraw/zinc/13/05/41/557130541.db2.gz YVXOUTBCBUZLHT-CAOOACKPSA-N 0 0 435.332 5.285 40 0 IKABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc(C(C)(C)C)cc1)N2 ZINC000409352530 557130798 /nfs/dbraw/zinc/13/07/98/557130798.db2.gz DEKHUCXCUOCCPU-IEGUWTFLSA-N 0 0 438.534 5.899 40 0 IKABRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc3cccnc31)[C@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000102694968 557131122 /nfs/dbraw/zinc/13/11/22/557131122.db2.gz TZTZHUYTZKHNCN-DXNCEWNXSA-N 0 0 430.507 5.478 40 0 IKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000408713875 557132610 /nfs/dbraw/zinc/13/26/10/557132610.db2.gz BRGCUQVAKOSZIW-UHFFFAOYSA-N 0 0 435.549 5.008 40 0 IKABRN COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(C)nc2c1 ZINC000408713791 557132637 /nfs/dbraw/zinc/13/26/37/557132637.db2.gz XJNGLKBYSAQKPD-UHFFFAOYSA-N 0 0 430.891 5.689 40 0 IKABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C)c1 ZINC000102767586 557132634 /nfs/dbraw/zinc/13/26/34/557132634.db2.gz UNPWUJZCWFCHDA-XPWALMASSA-N 0 0 432.907 5.008 40 0 IKABRN CCn1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000408712982 557132683 /nfs/dbraw/zinc/13/26/83/557132683.db2.gz FBLMTUMPWWZPST-UHFFFAOYSA-N 0 0 430.935 5.517 40 0 IKABRN CCn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000408713080 557132687 /nfs/dbraw/zinc/13/26/87/557132687.db2.gz JKNCPMADRIVURC-UHFFFAOYSA-N 0 0 434.948 6.078 40 0 IKABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102703520 557132807 /nfs/dbraw/zinc/13/28/07/557132807.db2.gz FWPXXWJCAFWHHE-RJGXRXQPSA-N 0 0 432.907 5.008 40 0 IKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccccc1Br ZINC000408714769 557132979 /nfs/dbraw/zinc/13/29/79/557132979.db2.gz WPCLOQAEZMMAEU-UHFFFAOYSA-N 0 0 428.330 5.069 40 0 IKABRN Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000408714228 557132992 /nfs/dbraw/zinc/13/29/92/557132992.db2.gz LSUYGAHNVDQXRH-UHFFFAOYSA-N 0 0 427.932 5.033 40 0 IKABRN Cc1ccc(-c2nnc(CN(C)C(=O)COc3cc(Cl)c(Cl)cc3Cl)o2)cc1 ZINC000408714761 557133018 /nfs/dbraw/zinc/13/30/18/557133018.db2.gz WMGSMNSWWQQLIT-UHFFFAOYSA-N 0 0 440.714 5.043 40 0 IKABRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 ZINC000408719702 557133302 /nfs/dbraw/zinc/13/33/02/557133302.db2.gz PHMGYUJPBKWGNV-LQDNNDEMSA-N 0 0 444.328 5.020 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3cc(C)cc(C)c3)cc2-c2ccc3ccccc3c2)cc1 ZINC000408724205 557133855 /nfs/dbraw/zinc/13/38/55/557133855.db2.gz HTZPXLNBCVWVOY-UHFFFAOYSA-N 0 0 431.539 6.870 40 0 IKABRN Cc1ccc2c(Cl)c(C(=O)Nc3cccc(I)c3)sc2c1 ZINC000009057069 557134529 /nfs/dbraw/zinc/13/45/29/557134529.db2.gz NOWPUDADHPDIEC-UHFFFAOYSA-N 0 0 427.694 5.720 40 0 IKABRN CC1CCN(C(=S)Oc2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC1 ZINC000408721270 557135081 /nfs/dbraw/zinc/13/50/81/557135081.db2.gz GCEAZSYNMXRZSZ-UHFFFAOYSA-N 0 0 433.371 5.097 40 0 IKABRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000021123772 557135521 /nfs/dbraw/zinc/13/55/21/557135521.db2.gz NCUNVDCZFCAZOG-UHFFFAOYSA-N 0 0 446.344 5.627 40 0 IKABRN O=C(Nc1cccc(Br)c1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000408721783 557135958 /nfs/dbraw/zinc/13/59/58/557135958.db2.gz LZEQDHDDALBJHE-UHFFFAOYSA-N 0 0 430.305 5.825 40 0 IKABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000021124213 557135923 /nfs/dbraw/zinc/13/59/23/557135923.db2.gz ZFWGLNRZIJOXGQ-UHFFFAOYSA-N 0 0 447.966 5.117 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000021124659 557136186 /nfs/dbraw/zinc/13/61/86/557136186.db2.gz 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557172739 /nfs/dbraw/zinc/17/27/39/557172739.db2.gz CJISSNWICJHSBY-UHFFFAOYSA-N 0 0 430.476 5.141 40 0 IKABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 ZINC000008810919 557173866 /nfs/dbraw/zinc/17/38/66/557173866.db2.gz GZSLLFQEMRXNKG-UHFFFAOYSA-N 0 0 444.503 5.143 40 0 IKABRN COc1cc2sc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)nc2cc1Cl ZINC000008831128 557174204 /nfs/dbraw/zinc/17/42/04/557174204.db2.gz WEXFKIAHXFZSRU-UHFFFAOYSA-N 0 0 449.985 5.120 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000008831117 557174255 /nfs/dbraw/zinc/17/42/55/557174255.db2.gz AIRQKMUIAAGISQ-UHFFFAOYSA-N 0 0 447.585 5.619 40 0 IKABRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 ZINC000408756060 557174280 /nfs/dbraw/zinc/17/42/80/557174280.db2.gz XHDXWAWFSOBJLK-MWKZZOCJSA-N 0 0 441.530 5.924 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1 ZINC000008831518 557174714 /nfs/dbraw/zinc/17/47/14/557174714.db2.gz FASRBFRZLYWKRJ-UHFFFAOYSA-N 0 0 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557175762 /nfs/dbraw/zinc/17/57/62/557175762.db2.gz YSBMJPGGACBEHK-UHFFFAOYSA-N 0 0 441.314 6.598 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000008832031 557175954 /nfs/dbraw/zinc/17/59/54/557175954.db2.gz PNZWFKRNVPTNLT-UHFFFAOYSA-N 0 0 447.741 6.126 40 0 IKABRN Cc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C5CCCCC5)cc4)c3)nc2c1 ZINC000008831964 557175976 /nfs/dbraw/zinc/17/59/76/557175976.db2.gz GPDPYBRESNUHNN-UHFFFAOYSA-N 0 0 440.543 6.868 40 0 IKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 ZINC000008831997 557175989 /nfs/dbraw/zinc/17/59/89/557175989.db2.gz QOFFGLAMZQXEHN-UHFFFAOYSA-N 0 0 442.902 7.277 40 0 IKABRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1c(F)c(F)c(OC)c(F)c1F ZINC000008831975 557176034 /nfs/dbraw/zinc/17/60/34/557176034.db2.gz IXKANVIDTHXGAN-UHFFFAOYSA-N 0 0 446.356 5.321 40 0 IKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000008832000 557176042 /nfs/dbraw/zinc/17/60/42/557176042.db2.gz RRHDBMBBAQPNRO-UHFFFAOYSA-N 0 0 441.314 6.436 40 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CC(C)c1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)cc1 ZINC000008902902 557178568 /nfs/dbraw/zinc/17/85/68/557178568.db2.gz UJNBHKHOOXSDDQ-UHFFFAOYSA-N 0 0 435.321 6.633 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3o2)cc1 ZINC000008902969 557178614 /nfs/dbraw/zinc/17/86/14/557178614.db2.gz RDXCEOOZWWSGAB-UHFFFAOYSA-N 0 0 446.550 7.389 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 ZINC000008902789 557178615 /nfs/dbraw/zinc/17/86/15/557178615.db2.gz SHKJPQXLPPAEFI-UHFFFAOYSA-N 0 0 449.532 5.457 40 0 IKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000008903014 557178620 /nfs/dbraw/zinc/17/86/20/557178620.db2.gz NWHLATQWVRKNKQ-GOSISDBHSA-N 0 0 428.532 7.048 40 0 IKABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 ZINC000008903053 557178628 /nfs/dbraw/zinc/17/86/28/557178628.db2.gz BMUACCKHEDMQTH-UHFFFAOYSA-N 0 0 429.545 6.053 40 0 IKABRN CCN(C(=O)c1cnc(-c2noc3cc(-c4ccccc4)ccc32)s1)C1CCCCC1 ZINC000096154522 557178653 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/nfs/dbraw/zinc/19/54/20/557195420.db2.gz UMEHJBHAFUNAJF-UHFFFAOYSA-N 0 0 426.570 6.332 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)cc1 ZINC000408774694 557197353 /nfs/dbraw/zinc/19/73/53/557197353.db2.gz CQZDOVKNSIBPNK-GJFKPFFXSA-N 0 0 434.536 5.567 40 0 IKABRN O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc2c(c1)OCO2 ZINC000010040318 557201357 /nfs/dbraw/zinc/20/13/57/557201357.db2.gz VQRSIVSMFZAFMJ-UHFFFAOYSA-N 0 0 427.243 5.783 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000010040989 557201413 /nfs/dbraw/zinc/20/14/13/557201413.db2.gz RQKNTRVYNNSULG-OAHLLOKOSA-N 0 0 428.488 6.298 40 0 IKABRN O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc2c(c1)OCO2 ZINC000010038669 557201434 /nfs/dbraw/zinc/20/14/34/557201434.db2.gz DJKUGGLDWJSQKK-UHFFFAOYSA-N 0 0 437.249 5.238 40 0 IKABRN COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(Br)cc1Br ZINC000408782226 557204610 /nfs/dbraw/zinc/20/46/10/557204610.db2.gz FVIBRXAVSXGHHL-VOTSOKGWSA-N 0 0 443.091 5.047 40 0 IKABRN CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 ZINC000010112189 557204819 /nfs/dbraw/zinc/20/48/19/557204819.db2.gz NQBWRTLQHCFGJC-UHFFFAOYSA-N 0 0 438.549 5.064 40 0 IKABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000010112623 557205138 /nfs/dbraw/zinc/20/51/38/557205138.db2.gz TVPKQWCPCXJQNY-UHFFFAOYSA-N 0 0 436.533 5.061 40 0 IKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000010120108 557206354 /nfs/dbraw/zinc/20/63/54/557206354.db2.gz XXDCXITVXYUXHH-UHFFFAOYSA-N 0 0 446.865 6.723 40 0 IKABRN CCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)c1 ZINC000010120184 557206378 /nfs/dbraw/zinc/20/63/78/557206378.db2.gz ULGWNALSAUKKPO-UHFFFAOYSA-N 0 0 448.475 5.172 40 0 IKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cc(Br)ccc1Cl ZINC000010120009 557206385 /nfs/dbraw/zinc/20/63/85/557206385.db2.gz FFMREQSEAUDYNL-UHFFFAOYSA-N 0 0 441.712 6.087 40 0 IKABRN COc1ccc(Br)cc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120039 557206415 /nfs/dbraw/zinc/20/64/15/557206415.db2.gz FVHOPVGCKXGXMY-UHFFFAOYSA-N 0 0 437.293 5.442 40 0 IKABRN COc1cc(-c2nc3cc(NC(=O)c4ccc(C)c(C)c4)ccc3o2)cc(OC)c1OC ZINC000010120153 557206438 /nfs/dbraw/zinc/20/64/38/557206438.db2.gz YTTMWBNWDPWKHU-UHFFFAOYSA-N 0 0 432.476 5.390 40 0 IKABRN CCc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1 ZINC000010120155 557206455 /nfs/dbraw/zinc/20/64/55/557206455.db2.gz CZTZIXQNHUPXTN-UHFFFAOYSA-N 0 0 432.476 5.335 40 0 IKABRN CCOc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1Cl ZINC000010120336 557206723 /nfs/dbraw/zinc/20/67/23/557206723.db2.gz MDQKHSGKRDONJP-UHFFFAOYSA-N 0 0 434.923 6.094 40 0 IKABRN Cc1cc2nc(-c3ccc(CNC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)oc2cc1C ZINC000010120292 557206733 /nfs/dbraw/zinc/20/67/33/557206733.db2.gz ZQYHSWSVYGUNJF-UHFFFAOYSA-N 0 0 428.576 6.334 40 0 IKABRN COc1cc(-c2nc3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)cc(OC)c1OC ZINC000010120242 557206779 /nfs/dbraw/zinc/20/67/79/557206779.db2.gz UMVLRSDGPDQIQV-FMIVXFBMSA-N 0 0 430.460 5.173 40 0 IKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(Cl)c(Cl)c4)cc3)oc2cc1C ZINC000010120316 557206800 /nfs/dbraw/zinc/20/68/00/557206800.db2.gz OTFYCVPAHSSLPU-UHFFFAOYSA-N 0 0 425.315 6.348 40 0 IKABRN CCOc1cc(OCC)cc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000010120333 557206803 /nfs/dbraw/zinc/20/68/03/557206803.db2.gz VWSCYIDVMFSUQA-UHFFFAOYSA-N 0 0 444.531 5.839 40 0 IKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4cncc(Br)c4)cc3)oc2cc1C ZINC000010120396 557206926 /nfs/dbraw/zinc/20/69/26/557206926.db2.gz JCVRAKAURUBNQF-UHFFFAOYSA-N 0 0 436.309 5.199 40 0 IKABRN CC[C@H](C)Oc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000010120429 557206932 /nfs/dbraw/zinc/20/69/32/557206932.db2.gz HXTKMRWTFYLEMB-IBGZPJMESA-N 0 0 428.532 6.219 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 ZINC000408783509 557207025 /nfs/dbraw/zinc/20/70/25/557207025.db2.gz MASDICHHNXAJPU-AFHVAHMMSA-N 0 0 445.371 6.415 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc2oc(=O)ccc2c1 ZINC000010128804 557207386 /nfs/dbraw/zinc/20/73/86/557207386.db2.gz JPCNGJWDGLFIDX-WEVVVXLNSA-N 0 0 426.255 6.012 40 0 IKABRN CC(C)C(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)C[C@H]1C ZINC000010153177 557207474 /nfs/dbraw/zinc/20/74/74/557207474.db2.gz SJJGTAKHHUYIRA-NLFFAJNJSA-N 0 0 448.588 5.404 40 0 IKABRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000010128850 557207559 /nfs/dbraw/zinc/20/75/59/557207559.db2.gz HCZNXVJTKHTTTF-UHFFFAOYSA-N 0 0 431.491 6.231 40 0 IKABRN C[C@@H](NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000010128945 557207645 /nfs/dbraw/zinc/20/76/45/557207645.db2.gz WZONQIFPLDLBFQ-LREROPASSA-N 0 0 427.544 5.795 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 ZINC000408786894 557208870 /nfs/dbraw/zinc/20/88/70/557208870.db2.gz PAWRYUOOXISJFM-LWUPDDLQSA-N 0 0 434.536 5.567 40 0 IKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)oc2c(Br)c1 ZINC000010119713 557208888 /nfs/dbraw/zinc/20/88/88/557208888.db2.gz QVEHACWBMUUDNU-UHFFFAOYSA-N 0 0 439.284 6.211 40 0 IKABRN CCc1cc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)oc2c(Br)c1 ZINC000010119769 557208928 /nfs/dbraw/zinc/20/89/28/557208928.db2.gz BZPMHNNWWMTADD-UHFFFAOYSA-N 0 0 435.321 6.001 40 0 IKABRN O=C(Nc1nc([C@@H]2CCCN2Cc2nccs2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000585268787 557208990 /nfs/dbraw/zinc/20/89/90/557208990.db2.gz OHLAWTJTEZTQJK-HNNXBMFYSA-N 0 0 438.500 5.208 40 0 IKABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O ZINC000010313882 557215439 /nfs/dbraw/zinc/21/54/39/557215439.db2.gz VGUSNGLJRNQKTN-QGZVFWFLSA-N 0 0 442.968 5.109 40 0 IKABRN CCCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408800583 557215677 /nfs/dbraw/zinc/21/56/77/557215677.db2.gz PYVUZJWWGSMEQR-ANQPRWKQSA-N 0 0 435.613 6.529 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010314612 557215752 /nfs/dbraw/zinc/21/57/52/557215752.db2.gz RVZYWFXTWRNHOX-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000010333328 557216440 /nfs/dbraw/zinc/21/64/40/557216440.db2.gz NBYGTDLOIZLNMU-UHFFFAOYSA-N 0 0 440.540 5.168 40 0 IKABRN Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1NS(=O)(=O)c1ccccc1 ZINC000010315051 557216570 /nfs/dbraw/zinc/21/65/70/557216570.db2.gz KAWAKLANUDIRKR-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CCc1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000010338112 557217217 /nfs/dbraw/zinc/21/72/17/557217217.db2.gz OQWVBKWYZGNAFI-UHFFFAOYSA-N 0 0 442.968 5.121 40 0 IKABRN O=C(COc1ccc(Br)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000218814814 557217444 /nfs/dbraw/zinc/21/74/44/557217444.db2.gz IESFCALQIFAODP-UHFFFAOYSA-N 0 0 432.701 5.912 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1C ZINC000010329279 557217782 /nfs/dbraw/zinc/21/77/82/557217782.db2.gz RPODGHJPHLLPSH-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN Cc1cc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc(C)c1Br ZINC000218831810 557217878 /nfs/dbraw/zinc/21/78/78/557217878.db2.gz SZUJETLNVUTOJC-UHFFFAOYSA-N 0 0 438.365 5.674 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000218838377 557217931 /nfs/dbraw/zinc/21/79/31/557217931.db2.gz QHUCIMTZUYVBFM-UHFFFAOYSA-N 0 0 434.330 5.040 40 0 IKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc3ccccc23)SC1Nc1ccccc1 ZINC000408807487 557218614 /nfs/dbraw/zinc/21/86/14/557218614.db2.gz CZXBXWOKVWVNPF-VTKZFGDGSA-N 0 0 427.593 6.894 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c(Br)c1 ZINC000218872794 557219217 /nfs/dbraw/zinc/21/92/17/557219217.db2.gz SIUZOEFIAYAMFH-UHFFFAOYSA-N 0 0 440.337 6.382 40 0 IKABRN Cc1cccc(CSCCNC(=O)COc2ccc(C(C)C)cc2Br)c1 ZINC000218871042 557219288 /nfs/dbraw/zinc/21/92/88/557219288.db2.gz LSQLMBXRJACTFK-UHFFFAOYSA-N 0 0 436.415 5.309 40 0 IKABRN CC(C)c1ccc(OCC(=O)NCCSCc2ccccc2F)c(Br)c1 ZINC000218874784 557219519 /nfs/dbraw/zinc/21/95/19/557219519.db2.gz RULQLRXFNKDPIJ-UHFFFAOYSA-N 0 0 440.378 5.140 40 0 IKABRN Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)CC(C)(C)O2 ZINC000218877430 557219537 /nfs/dbraw/zinc/21/95/37/557219537.db2.gz GSFXJMQQFBNYDX-LJQANCHMSA-N 0 0 446.385 5.678 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c(C)c1 ZINC000218884285 557219958 /nfs/dbraw/zinc/21/99/58/557219958.db2.gz MYJPUZUDHXXTAT-UHFFFAOYSA-N 0 0 448.357 5.249 40 0 IKABRN CCOc1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000218885112 557219987 /nfs/dbraw/zinc/21/99/87/557219987.db2.gz DIABOXIJICYAGR-UHFFFAOYSA-N 0 0 448.401 5.273 40 0 IKABRN O=C(COc1ccc2ccccc2c1Br)NCCCc1ccc(Cl)cc1 ZINC000218904568 557220206 /nfs/dbraw/zinc/22/02/06/557220206.db2.gz JFBYCULLXTUCCJ-UHFFFAOYSA-N 0 0 432.745 5.384 40 0 IKABRN C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C(C)(C)C)cc1 ZINC000218904355 557220249 /nfs/dbraw/zinc/22/02/49/557220249.db2.gz NVZGKWSRZVHJMB-INIZCTEOSA-N 0 0 440.381 6.156 40 0 IKABRN CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)cc1C ZINC000218886003 557220278 /nfs/dbraw/zinc/22/02/78/557220278.db2.gz SDDZKODCGDLQGH-FQEVSTJZSA-N 0 0 432.402 6.010 40 0 IKABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000010449656 557220219 /nfs/dbraw/zinc/22/02/19/557220219.db2.gz FMZUTXTZVFVABC-DWXRJYCRSA-N 0 0 428.557 5.052 40 0 IKABRN CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)cc1C ZINC000218885920 557220289 /nfs/dbraw/zinc/22/02/89/557220289.db2.gz SDDZKODCGDLQGH-HXUWFJFHSA-N 0 0 432.402 6.010 40 0 IKABRN Cc1ccc(SCCNC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000218902010 557220294 /nfs/dbraw/zinc/22/02/94/557220294.db2.gz QIELBIWRWVJWKV-UHFFFAOYSA-N 0 0 430.367 5.198 40 0 IKABRN O=C(COc1ccc2ccccc2c1Br)NC(c1ccccc1)c1ccccc1 ZINC000218903662 557220314 /nfs/dbraw/zinc/22/03/14/557220314.db2.gz FHIPUWYVRHZFSA-UHFFFAOYSA-N 0 0 446.344 5.887 40 0 IKABRN CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000218906049 557220532 /nfs/dbraw/zinc/22/05/32/557220532.db2.gz PUOVUJKCQGBTTN-UHFFFAOYSA-N 0 0 442.309 5.105 40 0 IKABRN CCOc1ccccc1CCCNC(=O)COc1ccc2ccccc2c1Br ZINC000218905719 557220579 /nfs/dbraw/zinc/22/05/79/557220579.db2.gz 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/nfs/dbraw/zinc/22/15/71/557221571.db2.gz DMQQUKWGUSCKMO-WINIVTDRSA-N 0 0 442.584 5.095 40 0 IKABRN O=C(NCCSCc1c(Cl)cccc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000218976574 557221888 /nfs/dbraw/zinc/22/18/88/557221888.db2.gz XAWAKWOBMJLBOH-UHFFFAOYSA-N 0 0 446.399 6.236 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000218976910 557221992 /nfs/dbraw/zinc/22/19/92/557221992.db2.gz ZPDDWEDJTBFCNG-UHFFFAOYSA-N 0 0 429.903 6.964 40 0 IKABRN COC(=O)c1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408811361 557222047 /nfs/dbraw/zinc/22/20/47/557222047.db2.gz NNAQWTJHEAPSGC-FUZNGBCKSA-N 0 0 435.569 5.527 40 0 IKABRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(OCc3ccccc3Cl)cc1)CC(C)(C)O2 ZINC000218991446 557222495 /nfs/dbraw/zinc/22/24/95/557222495.db2.gz HLRXYOSZKMBXQK-HSZRJFAPSA-N 0 0 435.951 6.260 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218991631 557222511 /nfs/dbraw/zinc/22/25/11/557222511.db2.gz RTXMZIZPTJNUGV-HSZRJFAPSA-N 0 0 435.951 6.260 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000218992257 557222516 /nfs/dbraw/zinc/22/25/16/557222516.db2.gz DVBXOZPXKZDQIK-JOCHJYFZSA-N 0 0 439.939 5.817 40 0 IKABRN CC(C)Oc1ccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000218990316 557222533 /nfs/dbraw/zinc/22/25/33/557222533.db2.gz WCQBQTULGWNJBN-UHFFFAOYSA-N 0 0 437.967 6.069 40 0 IKABRN CCOc1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OCC ZINC000218989116 557222538 /nfs/dbraw/zinc/22/25/38/557222538.db2.gz ZGPOBNFRPKONKV-UHFFFAOYSA-N 0 0 439.939 5.646 40 0 IKABRN COc1ccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OC ZINC000218990955 557222582 /nfs/dbraw/zinc/22/25/82/557222582.db2.gz HRFVJJCMOXUWFO-UHFFFAOYSA-N 0 0 439.939 5.299 40 0 IKABRN CC(C)Oc1cccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000218990231 557222589 /nfs/dbraw/zinc/22/25/89/557222589.db2.gz NBSXRMJIJWATGT-UHFFFAOYSA-N 0 0 437.967 6.069 40 0 IKABRN O=C(NCCCN1CCCc2ccccc21)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218993237 557222902 /nfs/dbraw/zinc/22/29/02/557222902.db2.gz USQSKPFLDGTTLN-UHFFFAOYSA-N 0 0 434.967 5.492 40 0 IKABRN O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000010542821 557223114 /nfs/dbraw/zinc/22/31/14/557223114.db2.gz PZXTWAGTRIFYEK-UHFFFAOYSA-N 0 0 429.972 7.552 40 0 IKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc2c(Cl)cccc12 ZINC000022527829 557224852 /nfs/dbraw/zinc/22/48/52/557224852.db2.gz RMBUERXMDZTERB-UHFFFAOYSA-N 0 0 449.362 7.676 40 0 IKABRN CCOc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)c2ccccc12 ZINC000408812745 557225055 /nfs/dbraw/zinc/22/50/55/557225055.db2.gz PKNLPQXJXFNQEV-UHFFFAOYSA-N 0 0 439.944 5.663 40 0 IKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000011114924 557227093 /nfs/dbraw/zinc/22/70/93/557227093.db2.gz GLUOSQCIQGZHIV-SFTDATJTSA-N 0 0 427.957 5.165 40 0 IKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000011117625 557227099 /nfs/dbraw/zinc/22/70/99/557227099.db2.gz PDNQNBQRHGXTLI-PMACEKPBSA-N 0 0 447.482 5.222 40 0 IKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000011114979 557227111 /nfs/dbraw/zinc/22/71/11/557227111.db2.gz GLUOSQCIQGZHIV-RTWAWAEBSA-N 0 0 427.957 5.165 40 0 IKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000011117589 557227127 /nfs/dbraw/zinc/22/71/27/557227127.db2.gz PDNQNBQRHGXTLI-VQTJNVASSA-N 0 0 447.482 5.222 40 0 IKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000011117196 557227136 /nfs/dbraw/zinc/22/71/36/557227136.db2.gz WGJSLZPKPKQOAN-PMACEKPBSA-N 0 0 447.482 5.222 40 0 IKABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000219133319 557227626 /nfs/dbraw/zinc/22/76/26/557227626.db2.gz HTBRVUUZEPKXQZ-UHFFFAOYSA-N 0 0 431.923 5.571 40 0 IKABRN CCOc1cc(Br)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408815022 557228058 /nfs/dbraw/zinc/22/80/58/557228058.db2.gz RDVIFRUSESCFTP-WQRHYEAKSA-N 0 0 448.338 5.487 40 0 IKABRN C[C@H](NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000219153470 557228277 /nfs/dbraw/zinc/22/82/77/557228277.db2.gz YESLYZMLUDUHPC-SFHVURJKSA-N 0 0 448.588 5.037 40 0 IKABRN O=C(Nc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1)c1ccco1 ZINC000011361080 557228478 /nfs/dbraw/zinc/22/84/78/557228478.db2.gz WUPMHWUWBJMZQO-UHFFFAOYSA-N 0 0 431.300 6.306 40 0 IKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408817525 557231607 /nfs/dbraw/zinc/23/16/07/557231607.db2.gz WCJUKHPXLMBVJT-NDENLUEZSA-N 0 0 439.920 5.747 40 0 IKABRN CCOc1ccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000219265130 557234241 /nfs/dbraw/zinc/23/42/41/557234241.db2.gz OINABWSXMFWVDD-UHFFFAOYSA-N 0 0 435.589 5.619 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408820408 557234306 /nfs/dbraw/zinc/23/43/06/557234306.db2.gz VYNICORKSIMJBI-WQRHYEAKSA-N 0 0 448.338 5.093 40 0 IKABRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(OCCSc3ccccc3)cc1)CC(C)(C)O2 ZINC000219265433 557234425 /nfs/dbraw/zinc/23/44/25/557234425.db2.gz YJIMGEJBRJPOHE-DEOSSOPVSA-N 0 0 447.600 6.198 40 0 IKABRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(OCCSc3ccccc3)cc1)CC(C)(C)O2 ZINC000219265487 557234533 /nfs/dbraw/zinc/23/45/33/557234533.db2.gz YJIMGEJBRJPOHE-XMMPIXPASA-N 0 0 447.600 6.198 40 0 IKABRN CC(C)c1ccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000219266319 557234548 /nfs/dbraw/zinc/23/45/48/557234548.db2.gz WNKMEQHNAYGWNY-UHFFFAOYSA-N 0 0 433.617 6.344 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 ZINC000026124429 557235507 /nfs/dbraw/zinc/23/55/07/557235507.db2.gz DVQZGVHDOKXHDU-UHFFFAOYSA-N 0 0 434.927 5.814 40 0 IKABRN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000026124004 557235540 /nfs/dbraw/zinc/23/55/40/557235540.db2.gz XOPRKBHGRBOGTO-UHFFFAOYSA-N 0 0 449.297 6.240 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(Br)cc1 ZINC000026124317 557235551 /nfs/dbraw/zinc/23/55/51/557235551.db2.gz WSQUSCSJPNRUNI-UHFFFAOYSA-N 0 0 441.716 5.397 40 0 IKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000026124024 557235596 /nfs/dbraw/zinc/23/55/96/557235596.db2.gz YAVNJNJUXWBYHR-UHFFFAOYSA-N 0 0 427.291 5.053 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1C ZINC000219285750 557235812 /nfs/dbraw/zinc/23/58/12/557235812.db2.gz XBOCRPRFZGOWML-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN Cc1ccc(-c2sc(NC(=O)c3ccc(Br)cc3)nc2-c2ccccc2)cc1 ZINC000408821707 557236806 /nfs/dbraw/zinc/23/68/06/557236806.db2.gz AIERASNBRGAXSC-UHFFFAOYSA-N 0 0 449.373 6.800 40 0 IKABRN Clc1ccc2c(c1)nccc2NCCCCCCNc1ccnc2cc(Cl)ccc21 ZINC000026184399 557236984 /nfs/dbraw/zinc/23/69/84/557236984.db2.gz HHWIMTYEHYWKEK-UHFFFAOYSA-N 0 0 439.390 7.174 40 0 IKABRN Cc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1 ZINC000408823059 557237451 /nfs/dbraw/zinc/23/74/51/557237451.db2.gz CGGJCSHZNUJKNH-UHFFFAOYSA-N 0 0 446.575 7.705 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000057312830 557238321 /nfs/dbraw/zinc/23/83/21/557238321.db2.gz UISBNLQHXVEQAI-UHFFFAOYSA-N 0 0 437.967 7.226 40 0 IKABRN Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000057312842 557238359 /nfs/dbraw/zinc/23/83/59/557238359.db2.gz XOTDIEIQMASLOC-JXMROGBWSA-N 0 0 430.316 6.218 40 0 IKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1cccs1 ZINC000408823744 557238368 /nfs/dbraw/zinc/23/83/68/557238368.db2.gz GCFMKCCZFSYSGL-UHFFFAOYSA-N 0 0 438.577 7.458 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c(OC)c1 ZINC000057312876 557238417 /nfs/dbraw/zinc/23/84/17/557238417.db2.gz BUWQCIZGZNOVML-UHFFFAOYSA-N 0 0 443.286 6.071 40 0 IKABRN COc1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)c1 ZINC000012178914 557238511 /nfs/dbraw/zinc/23/85/11/557238511.db2.gz KNCRPDRDNIWKCH-UHFFFAOYSA-N 0 0 443.834 5.148 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc2nsnc2c1 ZINC000057313063 557238712 /nfs/dbraw/zinc/23/87/12/557238712.db2.gz FIGHOIGKNVTHJL-UHFFFAOYSA-N 0 0 436.500 5.139 40 0 IKABRN COc1ccc(-c2csc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)n2)cc1 ZINC000057313076 557238730 /nfs/dbraw/zinc/23/87/30/557238730.db2.gz APMBFXFBDURXGU-UHFFFAOYSA-N 0 0 447.354 5.377 40 0 IKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000219354685 557238936 /nfs/dbraw/zinc/23/89/36/557238936.db2.gz QVKZNUAOMHQPTO-NRFANRHFSA-N 0 0 435.911 5.359 40 0 IKABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nn12 ZINC000057316908 557240305 /nfs/dbraw/zinc/24/03/05/557240305.db2.gz VSIHFJMJXXNDRI-UHFFFAOYSA-N 0 0 425.517 5.335 40 0 IKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1 ZINC000057317009 557240538 /nfs/dbraw/zinc/24/05/38/557240538.db2.gz GNRGOPZHOCSYKI-UHFFFAOYSA-N 0 0 435.115 5.402 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000057317003 557240560 /nfs/dbraw/zinc/24/05/60/557240560.db2.gz DHEKVHLUQYOWCE-UHFFFAOYSA-N 0 0 442.353 5.836 40 0 IKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 ZINC000057317118 557240774 /nfs/dbraw/zinc/24/07/74/557240774.db2.gz CYBCAWVPFJBGIL-UHFFFAOYSA-N 0 0 449.982 5.440 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 ZINC000057333748 557242012 /nfs/dbraw/zinc/24/20/12/557242012.db2.gz QWQYSDQTLNAZKZ-UHFFFAOYSA-N 0 0 443.547 5.661 40 0 IKABRN CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000219420979 557243907 /nfs/dbraw/zinc/24/39/07/557243907.db2.gz RSQYZFISWHBPEI-UHFFFAOYSA-N 0 0 447.450 6.078 40 0 IKABRN CCc1ccc2oc(-c3cc(NC(=O)c4ccc5nsnc5c4)ccc3Cl)nc2c1 ZINC000057313178 557244317 /nfs/dbraw/zinc/24/43/17/557244317.db2.gz LPLNUJCJAFQSHV-UHFFFAOYSA-N 0 0 434.908 5.968 40 0 IKABRN Cc1cc2occ(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)c2cc1C ZINC000100156327 557244930 /nfs/dbraw/zinc/24/49/30/557244930.db2.gz OBFGIMIJDOLZPR-HDICACEKSA-N 0 0 449.576 5.794 40 0 IKABRN Cc1cc(OCC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)ccc1Cl ZINC000100156322 557245023 /nfs/dbraw/zinc/24/50/23/557245023.db2.gz FXAXIFBQUWIUFV-IYBDPMFKSA-N 0 0 445.972 5.229 40 0 IKABRN CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)cc1 ZINC000408828631 557245134 /nfs/dbraw/zinc/24/51/34/557245134.db2.gz NHORXQMULVHWCM-UHFFFAOYSA-N 0 0 435.305 5.190 40 0 IKABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000057314002 557245259 /nfs/dbraw/zinc/24/52/59/557245259.db2.gz RGVPYVPNGMYNEI-UHFFFAOYSA-N 0 0 433.689 5.509 40 0 IKABRN Cc1ccc2c(cccc2NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)n1 ZINC000057315614 557245502 /nfs/dbraw/zinc/24/55/02/557245502.db2.gz OUZLUNZCLKALRH-UHFFFAOYSA-N 0 0 427.529 5.249 40 0 IKABRN Cc1ccc2c(cccc2NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)n1 ZINC000057316107 557246098 /nfs/dbraw/zinc/24/60/98/557246098.db2.gz ZFHDWWRAZNGITB-UHFFFAOYSA-N 0 0 427.529 5.249 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1c2nsnc2ccc1Cl ZINC000057315965 557246117 /nfs/dbraw/zinc/24/61/17/557246117.db2.gz ACRPUDOMVLWOCL-QHHAFSJGSA-N 0 0 443.768 5.178 40 0 IKABRN Cc1cc2nc(-c3cc(NC(=O)c4ccc5nsnc5c4)ccc3Cl)oc2c(C)c1 ZINC000057316034 557246121 /nfs/dbraw/zinc/24/61/21/557246121.db2.gz QQSNEQNPKMRNAI-UHFFFAOYSA-N 0 0 434.908 6.022 40 0 IKABRN O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000219457759 557250283 /nfs/dbraw/zinc/25/02/83/557250283.db2.gz ADPHKJJPLOQNRN-UHFFFAOYSA-N 0 0 432.829 5.891 40 0 IKABRN CCOC(=O)c1cc(NC(=O)CCCN2c3cccc4cccc(c34)C2=O)ccc1Cl ZINC000219471621 557252148 /nfs/dbraw/zinc/25/21/48/557252148.db2.gz GQFHQLLVXHNMCZ-UHFFFAOYSA-N 0 0 436.895 5.049 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1Cl ZINC000219471737 557252228 /nfs/dbraw/zinc/25/22/28/557252228.db2.gz MFKYUWAJPSHKQS-UHFFFAOYSA-N 0 0 436.895 5.049 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000219472801 557252249 /nfs/dbraw/zinc/25/22/49/557252249.db2.gz ILAKPFBDCMLTRZ-OAQYLSRUSA-N 0 0 428.532 5.307 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000219479875 557252980 /nfs/dbraw/zinc/25/29/80/557252980.db2.gz PUCLYVOXCIHWTB-LJQANCHMSA-N 0 0 448.588 5.172 40 0 IKABRN Cc1ccc(C)c(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c1 ZINC000219478993 557253015 /nfs/dbraw/zinc/25/30/15/557253015.db2.gz PRHWESVVMKBRPP-UHFFFAOYSA-N 0 0 434.561 5.241 40 0 IKABRN Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000057613829 557254831 /nfs/dbraw/zinc/25/48/31/557254831.db2.gz YZGNFPYAFSQLJZ-AREMUKBSSA-N 0 0 439.538 5.048 40 0 IKABRN Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1 ZINC000408836194 557255895 /nfs/dbraw/zinc/25/58/95/557255895.db2.gz ZJPJUTGNQUULSG-UHFFFAOYSA-N 0 0 439.367 7.345 40 0 IKABRN CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCc5ccccc5C4)cc3)cc2c1 ZINC000057718176 557258861 /nfs/dbraw/zinc/25/88/61/557258861.db2.gz ITFRQMGDXDZXAR-UHFFFAOYSA-N 0 0 425.532 5.102 40 0 IKABRN O=c1[nH]c2c(cc1CNc1ccc(F)cc1)c(-c1cccc(F)c1)nn2-c1ccccc1 ZINC000057721120 557259211 /nfs/dbraw/zinc/25/92/11/557259211.db2.gz BNSJZHWRCXKJJG-UHFFFAOYSA-N 0 0 428.442 5.271 40 0 IKABRN COc1cccc(NCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1 ZINC000057720637 557259294 /nfs/dbraw/zinc/25/92/94/557259294.db2.gz PCCUWIABDFXVAA-UHFFFAOYSA-N 0 0 436.943 5.285 40 0 IKABRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)c1ccccc1 ZINC000408840566 557262181 /nfs/dbraw/zinc/26/21/81/557262181.db2.gz ZIIHLRCLOIJLIJ-XDHOZWIPSA-N 0 0 438.266 5.557 40 0 IKABRN COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)CC1 ZINC000408841156 557262183 /nfs/dbraw/zinc/26/21/83/557262183.db2.gz JHCXZAGDVCAZJP-UHFFFAOYSA-N 0 0 449.982 5.232 40 0 IKABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000219678748 557262417 /nfs/dbraw/zinc/26/24/17/557262417.db2.gz JCIMOWMULQAGEQ-CQSZACIVSA-N 0 0 446.728 6.301 40 0 IKABRN CC(C)(C)[C@H]1CCc2nc(-c3cccnc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 ZINC000057774941 557264794 /nfs/dbraw/zinc/26/47/94/557264794.db2.gz VLODOZCTGHCFQP-INIZCTEOSA-N 0 0 426.486 6.452 40 0 IKABRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1Cc1nc(-c3ccncc3)nc(Nc3cccc(F)c3)c12 ZINC000057775139 557264978 /nfs/dbraw/zinc/26/49/78/557264978.db2.gz NAFZHHPHLGCAKY-AZUAARDMSA-N 0 0 447.514 5.418 40 0 IKABRN Cc1ccccc1CSCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219764053 557267520 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Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cccc(C)c2C)cc1 ZINC000113938181 557310553 /nfs/dbraw/zinc/31/05/53/557310553.db2.gz LBZKYHBERKZPRG-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cccc(C)c2C)cc1 ZINC000113938126 557310571 /nfs/dbraw/zinc/31/05/71/557310571.db2.gz FXARDTRVVMFBSP-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2cccc(C)c2C)cc1 ZINC000113938286 557310573 /nfs/dbraw/zinc/31/05/73/557310573.db2.gz PKZQWQRVHMUIKB-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN CCc1ccccc1NC(=O)C(=O)C=C([O-])c1sc(Nc2ccccc2Cl)nc1C ZINC000102956667 557310733 /nfs/dbraw/zinc/31/07/33/557310733.db2.gz ZVDCGYJMRRRQJW-UHFFFAOYSA-N 0 0 441.940 5.192 40 0 IKABRN COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCCC[C@@H]4[C@@H]3C2=O)cc1 ZINC000102948399 557310744 /nfs/dbraw/zinc/31/07/44/557310744.db2.gz VCDXHZUBOZUMDL-WNLYKICVSA-N 0 0 442.559 5.907 40 0 IKABRN BrC1=C(c2ccccc2)[C@H]2CCCC[C@@H]2[C@]1(Br)c1ccccc1 ZINC000104136139 557321009 /nfs/dbraw/zinc/32/10/09/557321009.db2.gz BPNRCGIFCBGTDU-BBTUJRGHSA-N 0 0 432.199 6.903 40 0 IKABRN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccccc4Cl)c23)cc1 ZINC000013454342 557321665 /nfs/dbraw/zinc/32/16/65/557321665.db2.gz WAHBMNKLVMQFAZ-UHFFFAOYSA-N 0 0 425.966 6.051 40 0 IKABRN C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@@H]2CCCC[C@@H]12 ZINC000013450390 557321673 /nfs/dbraw/zinc/32/16/73/557321673.db2.gz QYXSLVBHLXGBFP-JKIFEVAISA-N 0 0 432.446 5.049 40 0 IKABRN CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000104231590 557322823 /nfs/dbraw/zinc/32/28/23/557322823.db2.gz JXLGGCXIZSBNQQ-XMMPIXPASA-N 0 0 437.609 5.786 40 0 IKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1cccnc1 ZINC000013424505 557322884 /nfs/dbraw/zinc/32/28/84/557322884.db2.gz ZMXMASNXWREISL-UHFFFAOYSA-N 0 0 433.536 6.791 40 0 IKABRN Cc1ccc(C(=O)CSc2nc(C)cc(SCc3c(Cl)cccc3Cl)n2)cc1 ZINC000013424511 557322925 /nfs/dbraw/zinc/32/29/25/557322925.db2.gz YONRFJHBQIYHJL-UHFFFAOYSA-N 0 0 449.428 6.668 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccc(Cl)cc1 ZINC000104231851 557323070 /nfs/dbraw/zinc/32/30/70/557323070.db2.gz KTVXJYCRFJMFCL-RUZDIDTESA-N 0 0 447.922 6.202 40 0 IKABRN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccs2)cc1 ZINC000104231993 557323075 /nfs/dbraw/zinc/32/30/75/557323075.db2.gz OBXLCNUNGRZCHI-RUZDIDTESA-N 0 0 442.584 7.163 40 0 IKABRN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)c1 ZINC000013425375 557323624 /nfs/dbraw/zinc/32/36/24/557323624.db2.gz NYVRXFPSGIVMMH-IBGZPJMESA-N 0 0 440.572 5.942 40 0 IKABRN CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)O[C@H](C)CC)C1=O ZINC000409199955 557323754 /nfs/dbraw/zinc/32/37/54/557323754.db2.gz FYNGILPUSATKFP-QAIWHXNASA-N 0 0 441.549 5.397 40 0 IKABRN Clc1ccccc1[C@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000104339811 557325548 /nfs/dbraw/zinc/32/55/48/557325548.db2.gz YPVBRRIAPQVVGJ-HKBQPEDESA-N 0 0 445.005 8.507 40 0 IKABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)OC4CCCCC4)n21)CCCC3 ZINC000013496044 557326407 /nfs/dbraw/zinc/32/64/07/557326407.db2.gz HGJWVDZGRMOABA-UHFFFAOYSA-N 0 0 444.626 5.309 40 0 IKABRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013497655 557327026 /nfs/dbraw/zinc/32/70/26/557327026.db2.gz FZFFPOHEVJJVFT-HSZRJFAPSA-N 0 0 438.618 5.181 40 0 IKABRN Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)o2)cc1 ZINC000024523038 557327154 /nfs/dbraw/zinc/32/71/54/557327154.db2.gz MQQLWMYGQSHERG-UHFFFAOYSA-N 0 0 438.443 5.119 40 0 IKABRN O=C(Cc1cccs1)N(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498141 557327225 /nfs/dbraw/zinc/32/72/25/557327225.db2.gz YDDAXCBKZBBAGF-XMMPIXPASA-N 0 0 436.552 5.263 40 0 IKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1 ZINC000013498265 557327535 /nfs/dbraw/zinc/32/75/35/557327535.db2.gz FADIBWWIESEOCM-RUZDIDTESA-N 0 0 432.589 5.432 40 0 IKABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498338 557327615 /nfs/dbraw/zinc/32/76/15/557327615.db2.gz TVKQQZLETSKJFV-SANMLTNESA-N 0 0 446.616 5.162 40 0 IKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c(C)c1 ZINC000013498415 557327779 /nfs/dbraw/zinc/32/77/79/557327779.db2.gz FAQGQGCPCLFWSQ-AREMUKBSSA-N 0 0 446.616 5.741 40 0 IKABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498408 557327819 /nfs/dbraw/zinc/32/78/19/557327819.db2.gz SYAGFNOHSVUYIB-VWLOTQADSA-N 0 0 432.589 5.432 40 0 IKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498406 557327866 /nfs/dbraw/zinc/32/78/66/557327866.db2.gz QYHYXJRTNOGNCS-VWLOTQADSA-N 0 0 432.589 5.432 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4cccc(Cl)c4)nnc3c2c1C ZINC000013499970 557329575 /nfs/dbraw/zinc/32/95/75/557329575.db2.gz AEDIFAVGBGDXMZ-UHFFFAOYSA-N 0 0 446.001 5.463 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4c(C)cccc4C)nnc3c2c1C ZINC000013499978 557329590 /nfs/dbraw/zinc/32/95/90/557329590.db2.gz WJKVJMMMMRFIDI-UHFFFAOYSA-N 0 0 439.610 5.427 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 ZINC000013499964 557329646 /nfs/dbraw/zinc/32/96/46/557329646.db2.gz ZLDYXSIJBOJBMH-UHFFFAOYSA-N 0 0 439.610 5.372 40 0 IKABRN CC(C)[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1ccccc1Cl ZINC000013511648 557332521 /nfs/dbraw/zinc/33/25/21/557332521.db2.gz IAHPPQDQOMUKQL-XMMPIXPASA-N 0 0 449.986 5.562 40 0 IKABRN Cc1occc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)n1Cc1ccccc1 ZINC000013512035 557332792 /nfs/dbraw/zinc/33/27/92/557332792.db2.gz CPIKIGIRRFSVNK-UHFFFAOYSA-N 0 0 432.549 5.242 40 0 IKABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C)n1[C@@H](C)c1ccccc1 ZINC000013512019 557332804 /nfs/dbraw/zinc/33/28/04/557332804.db2.gz CPEVTSMWOOCZRT-KRWDZBQOSA-N 0 0 432.549 5.495 40 0 IKABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1CC(C)C ZINC000013512466 557333639 /nfs/dbraw/zinc/33/36/39/557333639.db2.gz NTNUIMTZCNBRGE-UHFFFAOYSA-N 0 0 438.475 5.252 40 0 IKABRN CCC(=O)Nc1cccc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)c1 ZINC000013512751 557333831 /nfs/dbraw/zinc/33/38/31/557333831.db2.gz VCWSKDXHSMHVJF-UHFFFAOYSA-N 0 0 437.569 5.016 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3F)C3CCCCC3)cc2c1 ZINC000013513923 557334982 /nfs/dbraw/zinc/33/49/82/557334982.db2.gz UBOGORZSNBESRQ-UHFFFAOYSA-N 0 0 439.962 7.011 40 0 IKABRN CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000013513880 557335033 /nfs/dbraw/zinc/33/50/33/557335033.db2.gz ASGXNYVQYLJAJT-UHFFFAOYSA-N 0 0 441.959 5.259 40 0 IKABRN Cc1ccc(C(=O)N(Cc2ccccc2)Cc2cc3cc(C)cc(C)c3nc2Cl)cc1 ZINC000013513906 557335065 /nfs/dbraw/zinc/33/50/65/557335065.db2.gz GDFFLMUZYHQKRE-UHFFFAOYSA-N 0 0 428.963 6.656 40 0 IKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1ccccn1)c1ccc(Cl)cc1 ZINC000013502417 557337327 /nfs/dbraw/zinc/33/73/27/557337327.db2.gz IJBUIJJBUWDAEP-DEOSSOPVSA-N 0 0 447.966 5.572 40 0 IKABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1cccc(F)c1 ZINC000013502173 557337344 /nfs/dbraw/zinc/33/73/44/557337344.db2.gz HLIUNUPMSKLXAV-RUZDIDTESA-N 0 0 445.538 5.366 40 0 IKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccn1 ZINC000013502172 557337348 /nfs/dbraw/zinc/33/73/48/557337348.db2.gz ZUZNLJUGLQKYAU-SANMLTNESA-N 0 0 441.575 5.223 40 0 IKABRN Clc1ccc(-n2nnnc2CSc2nc(C3CCCCC3)nc3ccccc32)cc1 ZINC000013502523 557337661 /nfs/dbraw/zinc/33/76/61/557337661.db2.gz JLTDAEISDIJDLI-UHFFFAOYSA-N 0 0 436.972 5.599 40 0 IKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1ccccn1)c1cccc(Cl)c1 ZINC000013502419 557337664 /nfs/dbraw/zinc/33/76/64/557337664.db2.gz ADJUDZQDQJQPQP-DEOSSOPVSA-N 0 0 447.966 5.572 40 0 IKABRN COc1ccc(C(=O)c2cc(-c3nc(-c4cc(C)ccc4C)cs3)c3ccccn23)cc1 ZINC000257173248 557338101 /nfs/dbraw/zinc/33/81/01/557338101.db2.gz HOUYAWZMHAJNPU-UHFFFAOYSA-N 0 0 438.552 6.586 40 0 IKABRN COc1ccc(C(=O)c2c3c(c4ccccn42)-c2nc4ccccc4n2C2(CCCC2)N3)cc1 ZINC000257173462 557338126 /nfs/dbraw/zinc/33/81/26/557338126.db2.gz OEVDHFAFBJYSKQ-UHFFFAOYSA-N 0 0 448.526 5.848 40 0 IKABRN CCc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 ZINC000013503542 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/nfs/dbraw/zinc/36/99/10/557369910.db2.gz UIVBBVXNWZSUCK-CDHQVMDDSA-N 0 0 431.989 5.512 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222664305 557370418 /nfs/dbraw/zinc/37/04/18/557370418.db2.gz HPEFDBDKHSWBAQ-QFIPXVFZSA-N 0 0 442.603 5.541 40 0 IKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Br)c3)N21 ZINC000222666592 557370706 /nfs/dbraw/zinc/37/07/06/557370706.db2.gz XOMZTWZWDZQYST-CDHQVMDDSA-N 0 0 446.414 5.611 40 0 IKABRN CCOc1ccc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1Br ZINC000222666248 557370746 /nfs/dbraw/zinc/37/07/46/557370746.db2.gz LIZZUQIHXPNSLI-ZMYBRWDISA-N 0 0 432.387 5.222 40 0 IKABRN CCOc1ccc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1Br ZINC000222666382 557370773 /nfs/dbraw/zinc/37/07/73/557370773.db2.gz LIZZUQIHXPNSLI-CCKFTAQKSA-N 0 0 432.387 5.222 40 0 IKABRN CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1Br ZINC000222666314 557370825 /nfs/dbraw/zinc/37/08/25/557370825.db2.gz LIZZUQIHXPNSLI-MDASCCDHSA-N 0 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Cc1cccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222734349 557381209 /nfs/dbraw/zinc/38/12/09/557381209.db2.gz VPMQXQFKJLKETF-LJQANCHMSA-N 0 0 445.003 5.139 40 0 IKABRN Cc1cccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222737268 557381428 /nfs/dbraw/zinc/38/14/28/557381428.db2.gz VKYJLPXPLKJMAN-HXUWFJFHSA-N 0 0 438.612 5.003 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000222743806 557381799 /nfs/dbraw/zinc/38/17/99/557381799.db2.gz BJZKCNUTFLPWNT-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN COc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628221 557382595 /nfs/dbraw/zinc/38/25/95/557382595.db2.gz RCTLQPOKOXCPJU-UHFFFAOYSA-N 0 0 432.520 5.263 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628349 557382612 /nfs/dbraw/zinc/38/26/12/557382612.db2.gz DEWCWZYVIFQZQY-UHFFFAOYSA-N 0 0 444.575 6.668 40 0 IKABRN Cc1ccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222750077 557382682 /nfs/dbraw/zinc/38/26/82/557382682.db2.gz MNMKRPYXRRSVPF-OAQYLSRUSA-N 0 0 440.653 5.177 40 0 IKABRN Cc1ccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222750318 557382797 /nfs/dbraw/zinc/38/27/97/557382797.db2.gz FISGPDSIFBKPMK-SFHVURJKSA-N 0 0 447.044 5.214 40 0 IKABRN Cc1ccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222750911 557382997 /nfs/dbraw/zinc/38/29/97/557382997.db2.gz NFKCYXONVQNRGZ-SFHVURJKSA-N 0 0 447.044 5.463 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C ZINC000222752371 557383389 /nfs/dbraw/zinc/38/33/89/557383389.db2.gz XYOHPVGMIUNZHW-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1cc(C)cc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1 ZINC000113965270 557383520 /nfs/dbraw/zinc/38/35/20/557383520.db2.gz LLDZDRINKPLXKC-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000013634915 557383845 /nfs/dbraw/zinc/38/38/45/557383845.db2.gz MVUDSELVLFJRPG-UHFFFAOYSA-N 0 0 438.914 7.376 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222760753 557383860 /nfs/dbraw/zinc/38/38/60/557383860.db2.gz LVHWBJIXGRUKQA-INIZCTEOSA-N 0 0 449.422 5.387 40 0 IKABRN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)c(Br)c1 ZINC000222760694 557383904 /nfs/dbraw/zinc/38/39/04/557383904.db2.gz RRISJSKLUYUJHI-RTBURBONSA-N 0 0 428.355 5.015 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222769961 557384752 /nfs/dbraw/zinc/38/47/52/557384752.db2.gz PNTYUWGEGRUZNI-INIZCTEOSA-N 0 0 435.395 5.213 40 0 IKABRN C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222768520 557384790 /nfs/dbraw/zinc/38/47/90/557384790.db2.gz CUTZQGCTXNKFLF-HXUWFJFHSA-N 0 0 438.999 5.307 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000222777312 557385845 /nfs/dbraw/zinc/38/58/45/557385845.db2.gz LFWCEOJSSDIHCU-NSHDSACASA-N 0 0 448.177 5.006 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222783173 557386527 /nfs/dbraw/zinc/38/65/27/557386527.db2.gz AUDFOASUQRLHQT-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000222782473 557386600 /nfs/dbraw/zinc/38/66/00/557386600.db2.gz OLFOZCVFLHHZLN-JOCHJYFZSA-N 0 0 449.422 5.566 40 0 IKABRN Cc1ccc(CSCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222785796 557386784 /nfs/dbraw/zinc/38/67/84/557386784.db2.gz KVOPELBGKHTBTH-GOSISDBHSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000222799672 557387822 /nfs/dbraw/zinc/38/78/22/557387822.db2.gz RHABRGSKHJWXDC-FQEVSTJZSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000222800742 557387923 /nfs/dbraw/zinc/38/79/23/557387923.db2.gz UARFSXNBNIEBJM-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000222805923 557388637 /nfs/dbraw/zinc/38/86/37/557388637.db2.gz UHJHFZXTMRLGRL-RTBURBONSA-N 0 0 446.345 5.236 40 0 IKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)cc2Br)o1 ZINC000222805494 557388720 /nfs/dbraw/zinc/38/87/20/557388720.db2.gz GZHLAIILHRTLAG-PMACEKPBSA-N 0 0 442.382 5.405 40 0 IKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000222805758 557388723 /nfs/dbraw/zinc/38/87/23/557388723.db2.gz UHJHFZXTMRLGRL-OALUTQOASA-N 0 0 446.345 5.236 40 0 IKABRN COc1cccc(CC(=O)N2CCC[C@@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)c1 ZINC000072370055 557388785 /nfs/dbraw/zinc/38/87/85/557388785.db2.gz KEZRDRVFUUPJDG-JOCHJYFZSA-N 0 0 430.548 5.023 40 0 IKABRN Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2C(=O)Cc2ccccc2)n1 ZINC000072376895 557388939 /nfs/dbraw/zinc/38/89/39/557388939.db2.gz MLMMCUVHNIWORR-HXUWFJFHSA-N 0 0 440.469 5.041 40 0 IKABRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c1 ZINC000101147560 557389710 /nfs/dbraw/zinc/38/97/10/557389710.db2.gz LDNOEDBPXLUFCK-SDHOMARFSA-N 0 0 440.543 5.344 40 0 IKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222816327 557389805 /nfs/dbraw/zinc/38/98/05/557389805.db2.gz SHLAOECVXZNQGD-LJQANCHMSA-N 0 0 443.031 5.728 40 0 IKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222816604 557389909 /nfs/dbraw/zinc/38/99/09/557389909.db2.gz DPGCGRNWULAMAX-DHIUTWEWSA-N 0 0 439.028 5.832 40 0 IKABRN Cc1ccccc1CSCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222825407 557390832 /nfs/dbraw/zinc/39/08/32/557390832.db2.gz STJSYAHJSNUCMQ-SFHVURJKSA-N 0 0 447.044 5.214 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222830110 557391069 /nfs/dbraw/zinc/39/10/69/557391069.db2.gz ZPIQUSGDZFNEMZ-CQSZACIVSA-N 0 0 441.786 5.480 40 0 IKABRN O=C(Nc1ccccc1Oc1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000222829333 557391081 /nfs/dbraw/zinc/39/10/81/557391081.db2.gz NJMSGGBXEVDPEC-NKFKGCMQSA-N 0 0 440.524 5.950 40 0 IKABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222834934 557391506 /nfs/dbraw/zinc/39/15/06/557391506.db2.gz RGVQWBAKPCROPF-AWEZNQCLSA-N 0 0 441.786 5.336 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870838 557391833 /nfs/dbraw/zinc/39/18/33/557391833.db2.gz ALEQKJNSINSWTJ-MRXNPFEDSA-N 0 0 444.988 5.439 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870829 557391874 /nfs/dbraw/zinc/39/18/74/557391874.db2.gz FBXQASHWCBNLMM-HNNXBMFYSA-N 0 0 430.961 5.131 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870835 557391897 /nfs/dbraw/zinc/39/18/97/557391897.db2.gz DHCNMQSCQGGWSS-INIZCTEOSA-N 0 0 444.988 5.439 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222840180 557392326 /nfs/dbraw/zinc/39/23/26/557392326.db2.gz ULBVPLHCXGRCFU-PMACEKPBSA-N 0 0 430.499 5.272 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)cc1 ZINC000013871351 557392357 /nfs/dbraw/zinc/39/23/57/557392357.db2.gz IDXFQFMDIURLGS-QGZVFWFLSA-N 0 0 446.576 5.402 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)cc1 ZINC000013871356 557392367 /nfs/dbraw/zinc/39/23/67/557392367.db2.gz QPAAOBIPBDVRJS-HNNXBMFYSA-N 0 0 444.988 5.210 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2CC)cc1 ZINC000013871548 557392527 /nfs/dbraw/zinc/39/25/27/557392527.db2.gz WZELMRMIGRFBFT-SFHVURJKSA-N 0 0 438.597 5.348 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2CC)cc1 ZINC000013871549 557392613 /nfs/dbraw/zinc/39/26/13/557392613.db2.gz WZELMRMIGRFBFT-GOSISDBHSA-N 0 0 438.597 5.348 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 ZINC000222841552 557392647 /nfs/dbraw/zinc/39/26/47/557392647.db2.gz KBATUKIETVIYPJ-UXHICEINSA-N 0 0 441.398 5.016 40 0 IKABRN C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222841829 557392652 /nfs/dbraw/zinc/39/26/52/557392652.db2.gz IPWWSOBHKCGADR-FQEVSTJZSA-N 0 0 434.967 5.006 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc21 ZINC000222845179 557393128 /nfs/dbraw/zinc/39/31/28/557393128.db2.gz KPQNMAMUAOVYEK-AREMUKBSSA-N 0 0 446.591 5.113 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222848969 557393707 /nfs/dbraw/zinc/39/37/07/557393707.db2.gz HRMBGDSIYVBESZ-VQTJNVASSA-N 0 0 432.376 6.029 40 0 IKABRN Cc1ccc(OCCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222848570 557393759 /nfs/dbraw/zinc/39/37/59/557393759.db2.gz UFTXMIHPWVRMNJ-LJQANCHMSA-N 0 0 445.003 5.139 40 0 IKABRN CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222848937 557393775 /nfs/dbraw/zinc/39/37/75/557393775.db2.gz LLNVNUKBHSZAOQ-QGZVFWFLSA-N 0 0 435.395 5.260 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2C)cc1 ZINC000222849451 557393798 /nfs/dbraw/zinc/39/37/98/557393798.db2.gz JRYSCVTYJFHUOW-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccc4ccccc43)ccc2C)cc1 ZINC000222855272 557394807 /nfs/dbraw/zinc/39/48/07/557394807.db2.gz YJEOXICLBOESIX-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000013842674 557394988 /nfs/dbraw/zinc/39/49/88/557394988.db2.gz VBNDYLVBRJJUAW-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN CC(C)c1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)cc1 ZINC000013842440 557395050 /nfs/dbraw/zinc/39/50/50/557395050.db2.gz QRRHOFCDNZPOAA-UHFFFAOYSA-N 0 0 438.597 5.372 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)C(=C3CC[C@H]2C1)CC[C@H]4[C@H](C)CC[C@H](C)C(C)C ZINC000025552577 557395478 /nfs/dbraw/zinc/39/54/78/557395478.db2.gz LALAQRGFSWBMHR-ZRPPNGQOSA-N 0 0 442.728 8.350 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000222862850 557395589 /nfs/dbraw/zinc/39/55/89/557395589.db2.gz BKBPKCOMVAITAV-CQSZACIVSA-N 0 0 439.358 5.007 40 0 IKABRN O=C(COc1cccc2c1CCCC2)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000222871323 557396414 /nfs/dbraw/zinc/39/64/14/557396414.db2.gz NETQOBRPPLCMDD-UHFFFAOYSA-N 0 0 437.992 6.529 40 0 IKABRN O=C(NCc1cccc2ccccc21)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000222876420 557396619 /nfs/dbraw/zinc/39/66/19/557396619.db2.gz XTVXSRHBBHFHIC-UHFFFAOYSA-N 0 0 427.375 5.675 40 0 IKABRN CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)CC ZINC000013928759 557396792 /nfs/dbraw/zinc/39/67/92/557396792.db2.gz ZNSRSGWWHXRAOW-SXGWCWSVSA-N 0 0 434.275 5.052 40 0 IKABRN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000013928816 557396877 /nfs/dbraw/zinc/39/68/77/557396877.db2.gz UBSPGNIYXPKORG-NHDPSOOVSA-N 0 0 442.273 6.056 40 0 IKABRN CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000222880025 557397215 /nfs/dbraw/zinc/39/72/15/557397215.db2.gz GWMFONOZCQMAEC-FQEVSTJZSA-N 0 0 426.409 5.763 40 0 IKABRN CCc1ccc(O[C@H](CC)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000222880081 557397241 /nfs/dbraw/zinc/39/72/41/557397241.db2.gz GWMFONOZCQMAEC-HXUWFJFHSA-N 0 0 426.409 5.763 40 0 IKABRN CCc1ccc(O[C@H](CC)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000222878921 557397248 /nfs/dbraw/zinc/39/72/48/557397248.db2.gz QJQBTMLSINUGQX-HXUWFJFHSA-N 0 0 426.409 5.763 40 0 IKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000222881631 557397377 /nfs/dbraw/zinc/39/73/77/557397377.db2.gz JSUNTYPHSAZNSF-VWLOTQADSA-N 0 0 430.548 5.018 40 0 IKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000222881683 557397522 /nfs/dbraw/zinc/39/75/22/557397522.db2.gz JSUNTYPHSAZNSF-RUZDIDTESA-N 0 0 430.548 5.018 40 0 IKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000222882433 557397676 /nfs/dbraw/zinc/39/76/76/557397676.db2.gz VFRFIYGTSZRYOQ-CLOONOSVSA-N 0 0 430.548 5.536 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222885528 557397990 /nfs/dbraw/zinc/39/79/90/557397990.db2.gz ICOQQJBJTUORAM-PMACEKPBSA-N 0 0 430.499 5.274 40 0 IKABRN CCOC(=O)c1c2c(sc1NC(=O)C13CC4CC(CC(C4)C1)C3)C[C@H](C(C)(C)C)CC2 ZINC000013958594 557399183 /nfs/dbraw/zinc/39/91/83/557399183.db2.gz BUQOUNYTOWJMNS-BSRLHWHNSA-N 0 0 443.653 6.231 40 0 IKABRN CCOC(=O)c1c2c(sc1NC(=O)C13CC4CC(CC(C4)C1)C3)C[C@@H](C(C)(C)C)CC2 ZINC000013958592 557399198 /nfs/dbraw/zinc/39/91/98/557399198.db2.gz BUQOUNYTOWJMNS-IGLNGXFKSA-N 0 0 443.653 6.231 40 0 IKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000222893280 557399589 /nfs/dbraw/zinc/39/95/89/557399589.db2.gz SYBWDRGYLHIBCJ-ODHYRZOZSA-N 0 0 446.616 6.002 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222894617 557399952 /nfs/dbraw/zinc/39/99/52/557399952.db2.gz WTEMCKFANLCLME-WOJBJXKFSA-N 0 0 432.376 6.031 40 0 IKABRN COc1cc(CN(Cc2oc3ccccc3c2C)Cc2ccncc2)cc(OC)c1OC ZINC000013989721 557400169 /nfs/dbraw/zinc/40/01/69/557400169.db2.gz PSQQEXPOEDHVIX-UHFFFAOYSA-N 0 0 432.520 5.364 40 0 IKABRN COc1ccc(CCN(Cc2ccncc2)Cc2cccc(Cl)c2Cl)cc1OC ZINC000013989511 557400282 /nfs/dbraw/zinc/40/02/82/557400282.db2.gz GZCZTBMNANILFA-UHFFFAOYSA-N 0 0 431.363 5.651 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222900003 557400411 /nfs/dbraw/zinc/40/04/11/557400411.db2.gz KDDDGNOLNSRLAT-IBGZPJMESA-N 0 0 434.555 5.244 40 0 IKABRN COc1ccc(NC(=O)c2ccc3nc(-c4ccoc4)c(-c4ccoc4)nc3c2)cc1OC ZINC000013992065 557400439 /nfs/dbraw/zinc/40/04/39/557400439.db2.gz JEQPXXREIUAASA-UHFFFAOYSA-N 0 0 441.443 5.419 40 0 IKABRN CCOc1ccc(NC(=O)c2ccc3nc(-c4ccoc4)c(-c4ccoc4)nc3c2)cc1 ZINC000013992082 557400443 /nfs/dbraw/zinc/40/04/43/557400443.db2.gz QDDFJCGCULPAJG-UHFFFAOYSA-N 0 0 425.444 5.801 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222902916 557400964 /nfs/dbraw/zinc/40/09/64/557400964.db2.gz SBPWVWNNUWVFNG-AWEZNQCLSA-N 0 0 439.358 5.007 40 0 IKABRN COc1cc([C@@H]2S[C@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1cccc(Cl)c1 ZINC000013995215 557400994 /nfs/dbraw/zinc/40/09/94/557400994.db2.gz DCKVUPNHJDOTSQ-XCLFUZPHSA-N 0 0 443.956 5.122 40 0 IKABRN C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCCC2 ZINC000222904008 557401180 /nfs/dbraw/zinc/40/11/80/557401180.db2.gz KANMEBYSAUJOOI-GOSISDBHSA-N 0 0 436.020 7.002 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222903462 557401280 /nfs/dbraw/zinc/40/12/80/557401280.db2.gz BMJCPUMVRUJSEY-CQSZACIVSA-N 0 0 439.358 5.007 40 0 IKABRN C[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCCC2 ZINC000222904071 557401283 /nfs/dbraw/zinc/40/12/83/557401283.db2.gz KANMEBYSAUJOOI-SFHVURJKSA-N 0 0 436.020 7.002 40 0 IKABRN COc1cc(C(=O)CCNc2ccc(-c3nc4ccccc4s3)cc2)cc(OC)c1OC ZINC000072408082 557401477 /nfs/dbraw/zinc/40/14/77/557401477.db2.gz SMLNRQCHTKFEQQ-UHFFFAOYSA-N 0 0 448.544 5.674 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222909210 557401539 /nfs/dbraw/zinc/40/15/39/557401539.db2.gz DYUQFSBZFIGBDJ-NHCUHLMSSA-N 0 0 433.606 5.111 40 0 IKABRN COc1cccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1OC ZINC000013995361 557401677 /nfs/dbraw/zinc/40/16/77/557401677.db2.gz UQYJHHINUISCIB-ZUOKHONESA-N 0 0 443.956 5.015 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222910690 557401753 /nfs/dbraw/zinc/40/17/53/557401753.db2.gz ODQSOEQUYQRMAL-RTWAWAEBSA-N 0 0 428.964 5.293 40 0 IKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013997895 557402560 /nfs/dbraw/zinc/40/25/60/557402560.db2.gz SQLUTVTZAGYSPA-UHFFFAOYSA-N 0 0 429.929 5.402 40 0 IKABRN C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222919062 557402601 /nfs/dbraw/zinc/40/26/01/557402601.db2.gz SJVUPHIYYZPDDL-OAQYLSRUSA-N 0 0 436.571 5.182 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222922124 557403153 /nfs/dbraw/zinc/40/31/53/557403153.db2.gz ZJDDLQDGBOJAFM-HSZRJFAPSA-N 0 0 437.967 7.226 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000222926799 557404141 /nfs/dbraw/zinc/40/41/41/557404141.db2.gz NOTCFLLBEOCHEX-QFIPXVFZSA-N 0 0 448.529 5.509 40 0 IKABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000222926272 557404148 /nfs/dbraw/zinc/40/41/48/557404148.db2.gz IQULSBLXBFCSAD-KQWNVCNZSA-N 0 0 428.513 5.320 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000222927695 557404175 /nfs/dbraw/zinc/40/41/75/557404175.db2.gz ILFPCMADFRXKPI-RFZIMGSGSA-N 0 0 445.647 7.248 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 ZINC000222932470 557404671 /nfs/dbraw/zinc/40/46/71/557404671.db2.gz YJFCMSAIJCKUKJ-IBGZPJMESA-N 0 0 448.588 5.166 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 ZINC000222932545 557404731 /nfs/dbraw/zinc/40/47/31/557404731.db2.gz YJFCMSAIJCKUKJ-LJQANCHMSA-N 0 0 448.588 5.166 40 0 IKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914692 557405194 /nfs/dbraw/zinc/40/51/94/557405194.db2.gz PECVQXJSAFWCOS-LFFUYKMPSA-N 0 0 446.716 6.822 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222935790 557405249 /nfs/dbraw/zinc/40/52/49/557405249.db2.gz UICNGIDICRHLOQ-LEWJYISDSA-N 0 0 444.025 6.108 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222934829 557405257 /nfs/dbraw/zinc/40/52/57/557405257.db2.gz AULNSWPJKUXRNF-DQEYMECFSA-N 0 0 426.589 5.654 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222935662 557405261 /nfs/dbraw/zinc/40/52/61/557405261.db2.gz UICNGIDICRHLOQ-SFTDATJTSA-N 0 0 444.025 6.108 40 0 IKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222935879 557405281 /nfs/dbraw/zinc/40/52/81/557405281.db2.gz QSWYYTUYBWKBCK-QGZVFWFLSA-N 0 0 449.422 5.485 40 0 IKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914731 557405448 /nfs/dbraw/zinc/40/54/48/557405448.db2.gz SFKSZNDXMPANHH-WSKNEJNJSA-N 0 0 444.700 7.030 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@](O)(/C=C/c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914948 557405463 /nfs/dbraw/zinc/40/54/63/557405463.db2.gz JBTRSWYBSZRTOK-VYLJKRTJSA-N 0 0 436.636 6.405 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@](C)(CCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915031 557405507 /nfs/dbraw/zinc/40/55/07/557405507.db2.gz QXDFHJAYYMOLSW-BDVIZXNFSA-N 0 0 436.680 7.600 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](O)(CCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915132 557405668 /nfs/dbraw/zinc/40/56/68/557405668.db2.gz OSYGNEOCCSKLON-XFVRFSQZSA-N 0 0 438.652 6.325 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000222938678 557405750 /nfs/dbraw/zinc/40/57/50/557405750.db2.gz YCAKVPMTEKXWSG-FGZHOGPDSA-N 0 0 425.569 5.569 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222938474 557405759 /nfs/dbraw/zinc/40/57/59/557405759.db2.gz FCCTUFMXUMGRBQ-NHCUHLMSSA-N 0 0 446.403 6.277 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222938671 557405835 /nfs/dbraw/zinc/40/58/35/557405835.db2.gz AOSTYOXDYRIJJG-LEWJYISDSA-N 0 0 446.403 6.277 40 0 IKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222939345 557405844 /nfs/dbraw/zinc/40/58/44/557405844.db2.gz SUYRDXVMHGIZPC-FGZHOGPDSA-N 0 0 425.985 5.932 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000222939003 557405858 /nfs/dbraw/zinc/40/58/58/557405858.db2.gz FHEPSVQYNCAWIN-YADHBBJMSA-N 0 0 425.569 5.569 40 0 IKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222940683 557405998 /nfs/dbraw/zinc/40/59/98/557405998.db2.gz IOXJWWBEKOMBTF-FGZHOGPDSA-N 0 0 425.985 5.932 40 0 IKABRN COC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118916590 557406052 /nfs/dbraw/zinc/40/60/52/557406052.db2.gz WHMGDIMLSAAHJQ-MSPKVBQNSA-N 0 0 444.700 8.179 40 0 IKABRN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1Cl ZINC000222941325 557406269 /nfs/dbraw/zinc/40/62/69/557406269.db2.gz NOGJINAOFWGBQI-FCHUYYIVSA-N 0 0 425.985 5.932 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000222941000 557406324 /nfs/dbraw/zinc/40/63/24/557406324.db2.gz DIGFXEJFFHSDBW-LJQANCHMSA-N 0 0 427.932 5.161 40 0 IKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000222942870 557406527 /nfs/dbraw/zinc/40/65/27/557406527.db2.gz IRSOFOLLBWUMSP-IBGZPJMESA-N 0 0 448.588 5.166 40 0 IKABRN Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1NS(=O)(=O)c1ccccc1 ZINC000222943243 557406559 /nfs/dbraw/zinc/40/65/59/557406559.db2.gz JWCAXYLBWHKADM-LJQANCHMSA-N 0 0 448.588 5.166 40 0 IKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C=C[C@]12C ZINC000118924580 557406637 /nfs/dbraw/zinc/40/66/37/557406637.db2.gz SWHWAFFISKDSIL-SHJQKZDVSA-N 0 0 430.629 5.942 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000222942652 557406647 /nfs/dbraw/zinc/40/66/47/557406647.db2.gz TTXFYMQGFLUYQG-CQSZACIVSA-N 0 0 439.358 5.007 40 0 IKABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222943956 557406658 /nfs/dbraw/zinc/40/66/58/557406658.db2.gz OFIOPKIEYPSXEQ-QGZVFWFLSA-N 0 0 449.422 5.485 40 0 IKABRN C[C@H](CC[C@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926917 557406832 /nfs/dbraw/zinc/40/68/32/557406832.db2.gz PRJNMBBZEPYCTP-ATAQOTTRSA-N 0 0 436.680 7.076 40 0 IKABRN C[C@@H](CC[C@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926913 557406925 /nfs/dbraw/zinc/40/69/25/557406925.db2.gz PRJNMBBZEPYCTP-OMAREYFJSA-N 0 0 436.680 7.076 40 0 IKABRN CNS[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118928397 557407000 /nfs/dbraw/zinc/40/70/00/557407000.db2.gz HTHNWQMPMKADST-QWDJEJJDSA-N 0 0 431.774 8.264 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118930834 557407114 /nfs/dbraw/zinc/40/71/14/557407114.db2.gz PHLIUSDPFOUISN-VAGRUZMFSA-N 0 0 430.717 8.039 40 0 IKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930068 557407195 /nfs/dbraw/zinc/40/71/95/557407195.db2.gz PGRKJDDEUNIWAZ-GCIPZGPYSA-N 0 0 431.661 6.993 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=C1C)CC[C@H]1[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000118931320 557407216 /nfs/dbraw/zinc/40/72/16/557407216.db2.gz VWSVBIDALISGLC-YGVFEVNSSA-N 0 0 442.728 8.350 40 0 IKABRN C[C@H](CCC1=NC(C)(C)CO1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118934409 557407332 /nfs/dbraw/zinc/40/73/32/557407332.db2.gz BVDWBDNAWXKGOG-YXBYWYESSA-N 0 0 445.688 5.601 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](OC(=O)C5CCCCC5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118932264 557407407 /nfs/dbraw/zinc/40/74/07/557407407.db2.gz UCQQTYPFMHIJRO-ASGJTQNMSA-N 0 0 444.656 6.453 40 0 IKABRN CCOC1=CC(=O)O[C@]2(CC[C@@]3(C)[C@H](CC[C@H]4[C@@H]5CC[C@H](OC(C)=O)[C@@]5(C)CC[C@@H]43)C2)C1 ZINC000118936514 557407857 /nfs/dbraw/zinc/40/78/57/557407857.db2.gz KBYQUXJAZCAIJT-BJYBTKEDSA-N 0 0 444.612 5.567 40 0 IKABRN CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(Br)c1 ZINC000222955746 557407972 /nfs/dbraw/zinc/40/79/72/557407972.db2.gz WEDFWQHERSNXTQ-INIZCTEOSA-N 0 0 430.386 5.708 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222956352 557407995 /nfs/dbraw/zinc/40/79/95/557407995.db2.gz HTYDMXVCPDHRNB-RTWAWAEBSA-N 0 0 445.419 5.952 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222956468 557408143 /nfs/dbraw/zinc/40/81/43/557408143.db2.gz HTYDMXVCPDHRNB-NHCUHLMSSA-N 0 0 445.419 5.952 40 0 IKABRN CCO[C@@H]1C[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 ZINC000118936683 557408220 /nfs/dbraw/zinc/40/82/20/557408220.db2.gz FEDFCOPSAFXWTA-GZJUWTJPSA-N 0 0 428.613 6.164 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222971423 557409879 /nfs/dbraw/zinc/40/98/79/557409879.db2.gz OWJAKNUGUNDKBB-QGZVFWFLSA-N 0 0 449.422 5.485 40 0 IKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222975265 557410146 /nfs/dbraw/zinc/41/01/46/557410146.db2.gz RTLMYEUUKVRYJL-SFTDATJTSA-N 0 0 444.526 5.664 40 0 IKABRN C[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222975511 557410458 /nfs/dbraw/zinc/41/04/58/557410458.db2.gz XJBVJFVHENSRRF-KRWDZBQOSA-N 0 0 445.434 5.962 40 0 IKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222975388 557410480 /nfs/dbraw/zinc/41/04/80/557410480.db2.gz RTLMYEUUKVRYJL-LEWJYISDSA-N 0 0 444.526 5.664 40 0 IKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222976413 557410529 /nfs/dbraw/zinc/41/05/29/557410529.db2.gz AMOUZCDJFXAPLW-KRWDZBQOSA-N 0 0 449.422 5.485 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222979865 557410691 /nfs/dbraw/zinc/41/06/91/557410691.db2.gz IMZDJHMXYAYXHI-RPBOFIJWSA-N 0 0 426.589 5.798 40 0 IKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222980709 557410734 /nfs/dbraw/zinc/41/07/34/557410734.db2.gz DGWPPPLATBCRGM-LEWJYISDSA-N 0 0 444.025 6.252 40 0 IKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222983270 557411313 /nfs/dbraw/zinc/41/13/13/557411313.db2.gz IVDBAFDMPYNTTF-LEWJYISDSA-N 0 0 446.403 6.421 40 0 IKABRN Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222984394 557411544 /nfs/dbraw/zinc/41/15/44/557411544.db2.gz VIUNKXGZTXRCBB-MRXNPFEDSA-N 0 0 435.395 5.176 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 ZINC000222985171 557411548 /nfs/dbraw/zinc/41/15/48/557411548.db2.gz RVWXNETXWDTBHS-FDJRJZQMSA-N 0 0 446.547 5.271 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000222984251 557411654 /nfs/dbraw/zinc/41/16/54/557411654.db2.gz KKZXXHKKBJROGX-YADHBBJMSA-N 0 0 425.985 6.076 40 0 IKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000222985301 557411878 /nfs/dbraw/zinc/41/18/78/557411878.db2.gz VQZZTDOIYIIMDO-CJFMBICVSA-N 0 0 430.548 5.591 40 0 IKABRN CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222988826 557412532 /nfs/dbraw/zinc/41/25/32/557412532.db2.gz JATUCSGZBIMKMN-QFIPXVFZSA-N 0 0 449.422 5.506 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000222988313 557412558 /nfs/dbraw/zinc/41/25/58/557412558.db2.gz HGQNVCKTERXAEQ-MRXNPFEDSA-N 0 0 435.395 5.258 40 0 IKABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000222991569 557413166 /nfs/dbraw/zinc/41/31/66/557413166.db2.gz IMDYZZQDFOQUBQ-QFIPXVFZSA-N 0 0 448.607 5.052 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222997308 557413352 /nfs/dbraw/zinc/41/33/52/557413352.db2.gz RKOJCFXHYYKVPL-JOCHJYFZSA-N 0 0 440.653 5.179 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223008384 557414776 /nfs/dbraw/zinc/41/47/76/557414776.db2.gz HQXOLZICRGXZTB-KRWDZBQOSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(I)cc1 ZINC000223007881 557414813 /nfs/dbraw/zinc/41/48/13/557414813.db2.gz RXUXRWUFJVTUOO-MRXNPFEDSA-N 0 0 429.685 5.049 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223009243 557415113 /nfs/dbraw/zinc/41/51/13/557415113.db2.gz OYLLCPWGNYKKBG-NRFANRHFSA-N 0 0 433.017 5.074 40 0 IKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000223013271 557415250 /nfs/dbraw/zinc/41/52/50/557415250.db2.gz GVDSVHAPGQBWFF-QHCPKHFHSA-N 0 0 425.981 6.737 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000223011232 557415279 /nfs/dbraw/zinc/41/52/79/557415279.db2.gz RHMOZKBACUFQRQ-QGZVFWFLSA-N 0 0 449.422 5.485 40 0 IKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000223019140 557416147 /nfs/dbraw/zinc/41/61/47/557416147.db2.gz FFWDHJOQXRQMJX-OAQYLSRUSA-N 0 0 430.331 6.890 40 0 IKABRN CC[C@@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223020421 557416486 /nfs/dbraw/zinc/41/64/86/557416486.db2.gz MCECJEVOPVFMML-YMMDMIJKSA-N 0 0 425.572 6.382 40 0 IKABRN CC[C@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223020484 557416538 /nfs/dbraw/zinc/41/65/38/557416538.db2.gz MCECJEVOPVFMML-CSVFCKANSA-N 0 0 425.572 6.382 40 0 IKABRN Cc1cccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223024226 557416727 /nfs/dbraw/zinc/41/67/27/557416727.db2.gz JJQJVSVCCACWQS-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1cc(C)cc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223024427 557416743 /nfs/dbraw/zinc/41/67/43/557416743.db2.gz LGYMTECDDFJDAA-QGZVFWFLSA-N 0 0 449.422 5.485 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223026591 557416936 /nfs/dbraw/zinc/41/69/36/557416936.db2.gz ZSNKUXVZIPOXHB-JOCHJYFZSA-N 0 0 436.640 5.559 40 0 IKABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000223028641 557417566 /nfs/dbraw/zinc/41/75/66/557417566.db2.gz JHZHRJBESFSLFY-PMACEKPBSA-N 0 0 448.375 5.267 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 ZINC000223030843 557417763 /nfs/dbraw/zinc/41/77/63/557417763.db2.gz VQUUVWVESXDZIT-MSOLQXFVSA-N 0 0 433.017 5.154 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 ZINC000223030797 557417784 /nfs/dbraw/zinc/41/77/84/557417784.db2.gz VQUUVWVESXDZIT-ZWKOTPCHSA-N 0 0 433.017 5.154 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223029261 557417866 /nfs/dbraw/zinc/41/78/66/557417866.db2.gz OLJHIGUQVRWTQI-RBUKOAKNSA-N 0 0 447.044 5.214 40 0 IKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014009354 557418028 /nfs/dbraw/zinc/41/80/28/557418028.db2.gz TUBJNSLYVXKFRR-HXUWFJFHSA-N 0 0 434.967 5.041 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223031584 557418515 /nfs/dbraw/zinc/41/85/15/557418515.db2.gz KADPQLNZAYAKSR-OAQYLSRUSA-N 0 0 438.612 5.005 40 0 IKABRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1cccc(C)c1 ZINC000014082034 557418597 /nfs/dbraw/zinc/41/85/97/557418597.db2.gz FLIRCOOWKACQSH-UHFFFAOYSA-N 0 0 449.605 5.436 40 0 IKABRN Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1C ZINC000014081746 557418648 /nfs/dbraw/zinc/41/86/48/557418648.db2.gz MDDBBPXRUKTDCQ-UHFFFAOYSA-N 0 0 441.771 5.482 40 0 IKABRN O=C(Nc1ccc(I)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000014042488 557420051 /nfs/dbraw/zinc/42/00/51/557420051.db2.gz COVXYXDISAIQLK-UHFFFAOYSA-N 0 0 429.257 5.123 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(Br)cc1 ZINC000014071271 557420179 /nfs/dbraw/zinc/42/01/79/557420179.db2.gz HNSQWLCFGKNENX-UHFFFAOYSA-N 0 0 445.386 5.075 40 0 IKABRN CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000014070201 557420186 /nfs/dbraw/zinc/42/01/86/557420186.db2.gz VIHRUGJIFVHYSH-CYBMUJFWSA-N 0 0 435.380 5.241 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Br)cc1 ZINC000014071266 557420224 /nfs/dbraw/zinc/42/02/24/557420224.db2.gz HIWSPGIJODRUSF-UHFFFAOYSA-N 0 0 445.386 5.075 40 0 IKABRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Br)cc1 ZINC000014071273 557420232 /nfs/dbraw/zinc/42/02/32/557420232.db2.gz DYWQUCIZWSXBLA-UHFFFAOYSA-N 0 0 445.386 5.075 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl ZINC000223043602 557420258 /nfs/dbraw/zinc/42/02/58/557420258.db2.gz RPKIXEFPAFDNPC-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Br)cc1 ZINC000014071268 557420278 /nfs/dbraw/zinc/42/02/78/557420278.db2.gz LIFABTXGPUFBFW-UHFFFAOYSA-N 0 0 445.386 5.075 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223047466 557420654 /nfs/dbraw/zinc/42/06/54/557420654.db2.gz VVVWJBXIRVSZCN-IBGZPJMESA-N 0 0 447.044 5.464 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223046855 557420721 /nfs/dbraw/zinc/42/07/21/557420721.db2.gz VTILNUCJOHNXJD-LJQANCHMSA-N 0 0 447.044 5.215 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223046908 557420778 /nfs/dbraw/zinc/42/07/78/557420778.db2.gz VTILNUCJOHNXJD-IBGZPJMESA-N 0 0 447.044 5.215 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223047734 557420948 /nfs/dbraw/zinc/42/09/48/557420948.db2.gz OZBKTVHCNRMCPC-NRFANRHFSA-N 0 0 426.626 5.119 40 0 IKABRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000014122450 557421017 /nfs/dbraw/zinc/42/10/17/557421017.db2.gz HQOXBOJRDPPKHH-UHFFFAOYSA-N 0 0 432.549 5.069 40 0 IKABRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000014126544 557421045 /nfs/dbraw/zinc/42/10/45/557421045.db2.gz UNRCOVAOFHQEAI-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1cccc2ccccc21 ZINC000014132051 557421155 /nfs/dbraw/zinc/42/11/55/557421155.db2.gz UKAPDIWJURLUIB-OEAKJJBVSA-N 0 0 445.927 6.990 40 0 IKABRN CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000223050528 557421472 /nfs/dbraw/zinc/42/14/72/557421472.db2.gz GXCLESMICPUVCQ-DEOSSOPVSA-N 0 0 434.967 5.006 40 0 IKABRN CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000223053323 557422136 /nfs/dbraw/zinc/42/21/36/557422136.db2.gz RFRMYRMGUBNZFI-SANMLTNESA-N 0 0 432.608 5.433 40 0 IKABRN COc1cccc(CN(C(=O)CCc2cccc3ccccc32)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223055956 557422590 /nfs/dbraw/zinc/42/25/90/557422590.db2.gz JUSCKFXJGRVZFO-FQEVSTJZSA-N 0 0 446.591 5.113 40 0 IKABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000223057927 557422929 /nfs/dbraw/zinc/42/29/29/557422929.db2.gz RITHQBMFAQHXMY-SANMLTNESA-N 0 0 432.608 5.289 40 0 IKABRN Cc1cc(OCCCn2cc(C(=O)COc3ccccc3)c3ccccc32)ccc1Cl ZINC000014135956 557423042 /nfs/dbraw/zinc/42/30/42/557423042.db2.gz CHKLIVDREJAXEV-UHFFFAOYSA-N 0 0 433.935 6.334 40 0 IKABRN COc1ccc(-c2cc(C)nc(SCC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000014152995 557423845 /nfs/dbraw/zinc/42/38/45/557423845.db2.gz CWEPEQXLTNCKAR-UHFFFAOYSA-N 0 0 429.339 5.198 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223069425 557425592 /nfs/dbraw/zinc/42/55/92/557425592.db2.gz ATEASEMOKJNCDG-UHFFFAOYSA-N 0 0 448.588 5.341 40 0 IKABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000223072638 557426052 /nfs/dbraw/zinc/42/60/52/557426052.db2.gz DDOXMMLHANGXFB-VXKWHMMOSA-N 0 0 441.984 5.312 40 0 IKABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000223072699 557426099 /nfs/dbraw/zinc/42/60/99/557426099.db2.gz DDOXMMLHANGXFB-YADHBBJMSA-N 0 0 441.984 5.312 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 ZINC000223072371 557426124 /nfs/dbraw/zinc/42/61/24/557426124.db2.gz WOPDGMJGVCCCNI-OALUTQOASA-N 0 0 429.004 5.167 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)c1 ZINC000014154477 557426159 /nfs/dbraw/zinc/42/61/59/557426159.db2.gz OWJZUFVLVRBXQL-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)c1 ZINC000014154445 557426196 /nfs/dbraw/zinc/42/61/96/557426196.db2.gz FUFOZDQVCZIMOF-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000223074515 557426393 /nfs/dbraw/zinc/42/63/93/557426393.db2.gz DHLKSAOHAOVPGS-FCHUYYIVSA-N 0 0 441.984 5.312 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000223074711 557426623 /nfs/dbraw/zinc/42/66/23/557426623.db2.gz RVJKDHOHQIZRQY-DLBZAZTESA-N 0 0 435.395 5.258 40 0 IKABRN CCC1(CC)C[C@H](NC(=O)COc2cc(C)c(Br)c(C)c2)c2ccccc2O1 ZINC000223075025 557426695 /nfs/dbraw/zinc/42/66/95/557426695.db2.gz IUKRHOZXUBYIHY-IBGZPJMESA-N 0 0 446.385 5.644 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)c1 ZINC000014155123 557426857 /nfs/dbraw/zinc/42/68/57/557426857.db2.gz HHDSSYBUCUBMCW-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223076588 557426879 /nfs/dbraw/zinc/42/68/79/557426879.db2.gz VGNHEVTXAVOMKB-UHFFFAOYSA-N 0 0 439.342 6.147 40 0 IKABRN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1Cl ZINC000223076838 557426973 /nfs/dbraw/zinc/42/69/73/557426973.db2.gz ZWHYROCUQDWXAU-UHFFFAOYSA-N 0 0 439.342 6.147 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cccc(C)c1 ZINC000223078639 557427178 /nfs/dbraw/zinc/42/71/78/557427178.db2.gz PNIOYZUGBJVXOO-RTBURBONSA-N 0 0 447.044 5.214 40 0 IKABRN CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000014155659 557427389 /nfs/dbraw/zinc/42/73/89/557427389.db2.gz DVXGQZIQBHVUNJ-UHFFFAOYSA-N 0 0 440.590 5.387 40 0 IKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000223079250 557427399 /nfs/dbraw/zinc/42/73/99/557427399.db2.gz VLFVDMPRJGFHHU-SANMLTNESA-N 0 0 442.559 5.292 40 0 IKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 ZINC000014155817 557427423 /nfs/dbraw/zinc/42/74/23/557427423.db2.gz GDBJVFFCHYTXNP-UHFFFAOYSA-N 0 0 444.015 6.891 40 0 IKABRN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000014155830 557427457 /nfs/dbraw/zinc/42/74/57/557427457.db2.gz GCTHFNNLSFYIQK-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C(C)C ZINC000223080570 557427732 /nfs/dbraw/zinc/42/77/32/557427732.db2.gz OJYJQNNMDKFDCU-MOPGFXCFSA-N 0 0 445.003 5.174 40 0 IKABRN CC[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223081476 557427945 /nfs/dbraw/zinc/42/79/45/557427945.db2.gz YZCDODWQEPJJSC-OAQYLSRUSA-N 0 0 430.386 5.591 40 0 IKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4Br)ccc32)c1 ZINC000223082824 557428225 /nfs/dbraw/zinc/42/82/25/557428225.db2.gz IYHZQRTWLCHIJF-UHFFFAOYSA-N 0 0 449.348 5.603 40 0 IKABRN CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)CCCC2 ZINC000223081789 557428237 /nfs/dbraw/zinc/42/82/37/557428237.db2.gz XOLJVKVDYABLKA-IBGZPJMESA-N 0 0 436.777 5.628 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223083022 557428254 /nfs/dbraw/zinc/42/82/54/557428254.db2.gz YYAYSOFZJRDNRM-LSDHHAIUSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223084636 557428717 /nfs/dbraw/zinc/42/87/17/557428717.db2.gz WOBWJNVXFMRZKC-SANMLTNESA-N 0 0 433.979 6.679 40 0 IKABRN O=C(NC(=S)Nc1cccc(Br)c1)c1cccc(OCc2ccccc2)c1 ZINC000014269510 557428696 /nfs/dbraw/zinc/42/86/96/557428696.db2.gz DBVSRRIYSLZHFI-UHFFFAOYSA-N 0 0 441.350 5.155 40 0 IKABRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 ZINC000014269796 557428841 /nfs/dbraw/zinc/42/88/41/557428841.db2.gz WQEINNVEALKTDC-UXBLZVDNSA-N 0 0 445.371 6.397 40 0 IKABRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(O)c1 ZINC000014269768 557428844 /nfs/dbraw/zinc/42/88/44/557428844.db2.gz WKFZABVRTPMFSO-WEVVVXLNSA-N 0 0 447.343 5.794 40 0 IKABRN CCOc1ccc2nc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)sc2c1 ZINC000014269823 557428864 /nfs/dbraw/zinc/42/88/64/557428864.db2.gz ZVFRADCWQFGJQB-UHFFFAOYSA-N 0 0 441.965 5.628 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000014269711 557428891 /nfs/dbraw/zinc/42/88/91/557428891.db2.gz FFZKUIKWHISKMQ-UHFFFAOYSA-N 0 0 449.557 5.113 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 ZINC000223085448 557428914 /nfs/dbraw/zinc/42/89/14/557428914.db2.gz ZULGBAYQHCYJBF-UHFFFAOYSA-N 0 0 426.560 5.965 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000223085422 557428917 /nfs/dbraw/zinc/42/89/17/557428917.db2.gz UYQGOXVUFBJNNZ-QHKNXTSZSA-N 0 0 432.589 5.731 40 0 IKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)N[C@H](C)c4ccc(Cl)cc4)ccc32)c1 ZINC000223085879 557428922 /nfs/dbraw/zinc/42/89/22/557428922.db2.gz NIYNCFNXLPLPHP-GOSISDBHSA-N 0 0 432.951 5.732 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 ZINC000014269862 557429131 /nfs/dbraw/zinc/42/91/31/557429131.db2.gz ZZHMWHRJPKMDGC-UHFFFAOYSA-N 0 0 449.963 6.146 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1nccs1 ZINC000223085980 557429139 /nfs/dbraw/zinc/42/91/39/557429139.db2.gz JSWIITSIDVVCJH-LEWJYISDSA-N 0 0 437.638 5.251 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 ZINC000014269870 557429211 /nfs/dbraw/zinc/42/92/11/557429211.db2.gz JISULUQCPDGFIJ-UHFFFAOYSA-N 0 0 443.572 6.109 40 0 IKABRN COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 ZINC000223086033 557429217 /nfs/dbraw/zinc/42/92/17/557429217.db2.gz IAIBNOUSMSINCD-IBGZPJMESA-N 0 0 428.532 5.088 40 0 IKABRN Cc1cc(C)nc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 ZINC000014270099 557429364 /nfs/dbraw/zinc/42/93/64/557429364.db2.gz JNIGWIAKVPGYSD-GQCTYLIASA-N 0 0 447.347 5.187 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223087874 557429379 /nfs/dbraw/zinc/42/93/79/557429379.db2.gz ZUTFSLRAZTVSPN-VQTJNVASSA-N 0 0 444.616 5.008 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCCC1 ZINC000223088757 557429692 /nfs/dbraw/zinc/42/96/92/557429692.db2.gz IZGRXIVCFNYWJT-GOTSBHOMSA-N 0 0 437.012 5.831 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc21 ZINC000223089369 557429742 /nfs/dbraw/zinc/42/97/42/557429742.db2.gz ZFFFAFWQQOONKE-JOCHJYFZSA-N 0 0 430.592 5.414 40 0 IKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000014270521 557429808 /nfs/dbraw/zinc/42/98/08/557429808.db2.gz CFIGCVJYNBTPID-CXUHLZMHSA-N 0 0 440.572 5.880 40 0 IKABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc(Cl)c1 ZINC000014270541 557429886 /nfs/dbraw/zinc/42/98/86/557429886.db2.gz WJYOAVACQQTEBG-UHFFFAOYSA-N 0 0 441.343 5.664 40 0 IKABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000014270473 557429896 /nfs/dbraw/zinc/42/98/96/557429896.db2.gz GIUWKQQUNZJOOU-UHFFFAOYSA-N 0 0 447.585 5.797 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000223090982 557429911 /nfs/dbraw/zinc/42/99/11/557429911.db2.gz WPSUFWLJLAFEGF-NRFANRHFSA-N 0 0 438.612 5.005 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223092574 557430056 /nfs/dbraw/zinc/43/00/56/557430056.db2.gz DGWWEQCQIFVNCI-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccccc1 ZINC000223094180 557430336 /nfs/dbraw/zinc/43/03/36/557430336.db2.gz OSDDFGSBJDAYLB-UIOOFZCWSA-N 0 0 444.648 5.853 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccccc1 ZINC000223094064 557430408 /nfs/dbraw/zinc/43/04/08/557430408.db2.gz OSDDFGSBJDAYLB-FTJBHMTQSA-N 0 0 444.648 5.853 40 0 IKABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000014271325 557430567 /nfs/dbraw/zinc/43/05/67/557430567.db2.gz PDJJNVMBJARRIQ-UHFFFAOYSA-N 0 0 441.906 5.015 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223095058 557430586 /nfs/dbraw/zinc/43/05/86/557430586.db2.gz YPNOYWNROIWGCV-JOCHJYFZSA-N 0 0 440.653 5.179 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1Cl ZINC000014271367 557430722 /nfs/dbraw/zinc/43/07/22/557430722.db2.gz GYLWMSRIPVWHFP-UHFFFAOYSA-N 0 0 448.931 5.549 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c(Cl)c1 ZINC000014271366 557430725 /nfs/dbraw/zinc/43/07/25/557430725.db2.gz AHYUTDRKPGJLOI-UHFFFAOYSA-N 0 0 448.931 5.549 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c(Cl)c1 ZINC000014271379 557430773 /nfs/dbraw/zinc/43/07/73/557430773.db2.gz YJBYMIQTPYIBOD-UHFFFAOYSA-N 0 0 448.931 5.549 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223095379 557430823 /nfs/dbraw/zinc/43/08/23/557430823.db2.gz RAJRKCXGSNLBQG-IBGZPJMESA-N 0 0 447.044 5.215 40 0 IKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2ccc(Cl)cc2F)CC1 ZINC000223098422 557431028 /nfs/dbraw/zinc/43/10/28/557431028.db2.gz JBHKJWYRUSFYPN-UHFFFAOYSA-N 0 0 427.372 5.023 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223096770 557431062 /nfs/dbraw/zinc/43/10/62/557431062.db2.gz OFVJWAFQUQUFKS-SFHVURJKSA-N 0 0 447.044 5.197 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000014271956 557431227 /nfs/dbraw/zinc/43/12/27/557431227.db2.gz OYYYEMPLQPPHCH-ACCUITESSA-N 0 0 441.874 6.455 40 0 IKABRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc2ccccc21 ZINC000014272026 557431267 /nfs/dbraw/zinc/43/12/67/557431267.db2.gz NHJHJZPVJBTEDF-UHFFFAOYSA-N 0 0 449.362 7.676 40 0 IKABRN COc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1Cl ZINC000014272137 557431478 /nfs/dbraw/zinc/43/14/78/557431478.db2.gz COWRUGSAGIKJHE-UHFFFAOYSA-N 0 0 447.705 6.716 40 0 IKABRN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)COc4ccccc4Cl)c3)oc2c(C)c1 ZINC000014272219 557431695 /nfs/dbraw/zinc/43/16/95/557431695.db2.gz JOOVHMQXLNBSGS-UHFFFAOYSA-N 0 0 441.314 6.436 40 0 IKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000014272346 557431703 /nfs/dbraw/zinc/43/17/03/557431703.db2.gz PLIDUYYBFPPPFR-UHFFFAOYSA-N 0 0 444.531 6.666 40 0 IKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4cccc5ccccc54)c3)oc2c1 ZINC000014272207 557431711 /nfs/dbraw/zinc/43/17/11/557431711.db2.gz QPELHRSVYWYOLH-UHFFFAOYSA-N 0 0 442.902 6.627 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000223103744 557431796 /nfs/dbraw/zinc/43/17/96/557431796.db2.gz VWZDCDNVXXHUCG-ZDUSSCGKSA-N 0 0 425.326 5.004 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3C)nc2c1 ZINC000014272552 557431880 /nfs/dbraw/zinc/43/18/80/557431880.db2.gz OKMZLEDPVRSBPO-UHFFFAOYSA-N 0 0 441.314 6.679 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1Cl ZINC000014272540 557431883 /nfs/dbraw/zinc/43/18/83/557431883.db2.gz BEUSTFGEBSNOOZ-UHFFFAOYSA-N 0 0 441.314 6.679 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)ccc1Cl ZINC000014272559 557431895 /nfs/dbraw/zinc/43/18/95/557431895.db2.gz MIVFDAVETJQYQZ-UHFFFAOYSA-N 0 0 442.902 6.627 40 0 IKABRN CCc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)cc(Cl)c4OC)ccc3o2)cc1 ZINC000014272524 557431925 /nfs/dbraw/zinc/43/19/25/557431925.db2.gz YPRHDECWQQDEGZ-UHFFFAOYSA-N 0 0 441.314 6.625 40 0 IKABRN CCc1ccc2oc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1 ZINC000014272398 557431928 /nfs/dbraw/zinc/43/19/28/557431928.db2.gz CELSFIVCGLBYFH-UHFFFAOYSA-N 0 0 448.950 6.815 40 0 IKABRN COc1ccc(-c2csc(NC(=O)/C=C/c3cc(Br)ccc3OC)n2)cc1 ZINC000014272497 557431936 /nfs/dbraw/zinc/43/19/36/557431936.db2.gz AWWDCPRPCMDAAV-BJMVGYQFSA-N 0 0 445.338 5.242 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)cc1 ZINC000014272704 557432087 /nfs/dbraw/zinc/43/20/87/557432087.db2.gz PHRNXNWHAPFPLJ-UHFFFAOYSA-N 0 0 446.554 6.062 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 ZINC000014272713 557432094 /nfs/dbraw/zinc/43/20/94/557432094.db2.gz KCONAPDOQICCOW-UHFFFAOYSA-N 0 0 440.934 6.350 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000014272602 557432107 /nfs/dbraw/zinc/43/21/07/557432107.db2.gz KVRKLDYIGYMJOU-UHFFFAOYSA-N 0 0 444.506 6.699 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(OC)c4)cc3n2)cc1 ZINC000014272725 557432139 /nfs/dbraw/zinc/43/21/39/557432139.db2.gz GTDLDORUVNMRTO-UHFFFAOYSA-N 0 0 444.535 5.341 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4cccc5ccccc54)ccc3o2)cc1Cl ZINC000014272619 557432151 /nfs/dbraw/zinc/43/21/51/557432151.db2.gz FOSQJFBCXBEYIE-UHFFFAOYSA-N 0 0 442.902 6.627 40 0 IKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000014272598 557432169 /nfs/dbraw/zinc/43/21/69/557432169.db2.gz NTAKTIRUHGYWAQ-UHFFFAOYSA-N 0 0 441.314 6.598 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 ZINC000014272702 557432179 /nfs/dbraw/zinc/43/21/79/557432179.db2.gz NGQFXOJTMZWEKN-UHFFFAOYSA-N 0 0 442.563 5.741 40 0 IKABRN CCCCc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 ZINC000223107754 557432226 /nfs/dbraw/zinc/43/22/26/557432226.db2.gz FEQHSNCWNNSSDH-AWEZNQCLSA-N 0 0 439.353 5.476 40 0 IKABRN CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223107188 557432242 /nfs/dbraw/zinc/43/22/42/557432242.db2.gz DRBWDMMSPVUEHE-DQEYMECFSA-N 0 0 445.636 5.244 40 0 IKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000014272757 557432289 /nfs/dbraw/zinc/43/22/89/557432289.db2.gz LHXVOPJALMXDPJ-UHFFFAOYSA-N 0 0 446.554 6.772 40 0 IKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000014272751 557432312 /nfs/dbraw/zinc/43/23/12/557432312.db2.gz UUKJMBFHMBQKCY-UHFFFAOYSA-N 0 0 442.563 6.139 40 0 IKABRN CCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 ZINC000014272919 557432352 /nfs/dbraw/zinc/43/23/52/557432352.db2.gz PWBSTELFZUPPBB-UHFFFAOYSA-N 0 0 442.309 5.430 40 0 IKABRN O=C(Nc1ccc(I)cc1F)c1ccc(-c2cccc(Cl)c2)o1 ZINC000014272896 557432362 /nfs/dbraw/zinc/43/23/62/557432362.db2.gz IALQKZMWUAYMQA-UHFFFAOYSA-N 0 0 441.627 5.596 40 0 IKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000014272844 557432377 /nfs/dbraw/zinc/43/23/77/557432377.db2.gz CNVBSQMFKIVVAQ-UHFFFAOYSA-N 0 0 446.869 6.034 40 0 IKABRN C[C@@H](NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C)c1ccc(Cl)cc1 ZINC000223108694 557432497 /nfs/dbraw/zinc/43/24/97/557432497.db2.gz VIWXIEIXYRKNNY-NWDGAFQWSA-N 0 0 445.744 5.026 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000223108281 557432590 /nfs/dbraw/zinc/43/25/90/557432590.db2.gz OXNADHUMWSECIV-CQSZACIVSA-N 0 0 439.353 5.565 40 0 IKABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223109251 557432728 /nfs/dbraw/zinc/43/27/28/557432728.db2.gz XEDAHZPYSINVEW-BJKOFHAPSA-N 0 0 432.593 5.186 40 0 IKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223109658 557432751 /nfs/dbraw/zinc/43/27/51/557432751.db2.gz WEBQKYHPYCZXSJ-JWQCQUIFSA-N 0 0 446.620 5.576 40 0 IKABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223109311 557432754 /nfs/dbraw/zinc/43/27/54/557432754.db2.gz XEDAHZPYSINVEW-ZEQRLZLVSA-N 0 0 432.593 5.186 40 0 IKABRN C[C@H](NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000014273208 557432785 /nfs/dbraw/zinc/43/27/85/557432785.db2.gz PIRKVKAZPVUSRJ-LRTRQFSZSA-N 0 0 444.402 6.988 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1N1CCCCC1 ZINC000014273133 557432803 /nfs/dbraw/zinc/43/28/03/557432803.db2.gz IEIZBSQOKARZPO-PKNBQFBNSA-N 0 0 441.358 6.896 40 0 IKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000014273110 557432815 /nfs/dbraw/zinc/43/28/15/557432815.db2.gz JPZKVNQRHIDCPN-UHFFFAOYSA-N 0 0 447.716 5.963 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1C ZINC000223111162 557433025 /nfs/dbraw/zinc/43/30/25/557433025.db2.gz PDFFFVSUVQVZPQ-DQEYMECFSA-N 0 0 430.621 5.794 40 0 IKABRN CC[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223109936 557433052 /nfs/dbraw/zinc/43/30/52/557433052.db2.gz IRFFGNOARYZUJX-VWLOTQADSA-N 0 0 433.979 6.679 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1C1CCCCC1 ZINC000223111615 557433214 /nfs/dbraw/zinc/43/32/14/557433214.db2.gz 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CCOc1c(Br)cc(C(=O)Nc2ccc(Br)cc2F)cc1OC ZINC000015007956 557434749 /nfs/dbraw/zinc/43/47/49/557434749.db2.gz IKGSGPIEMISMQY-UHFFFAOYSA-N 0 0 447.098 5.010 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 ZINC000223123236 557434852 /nfs/dbraw/zinc/43/48/52/557434852.db2.gz WLTJSJCHMODSSB-RUZDIDTESA-N 0 0 448.994 5.315 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000223123095 557434864 /nfs/dbraw/zinc/43/48/64/557434864.db2.gz GSFNPNMTJHBWEE-XMMPIXPASA-N 0 0 434.967 5.006 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000223123922 557435018 /nfs/dbraw/zinc/43/50/18/557435018.db2.gz MCHMVNFSVLRINR-RUZDIDTESA-N 0 0 448.994 5.049 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000014396789 557435208 /nfs/dbraw/zinc/43/52/08/557435208.db2.gz BGWHJTHEPOITMA-WOJBJXKFSA-N 0 0 444.575 5.881 40 0 IKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000014396881 557435254 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557437844 /nfs/dbraw/zinc/43/78/44/557437844.db2.gz MEGIHWGRACYNAO-INIZCTEOSA-N 0 0 440.436 6.242 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223142607 557438252 /nfs/dbraw/zinc/43/82/52/557438252.db2.gz FWRJXQLXGXDOIY-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN COc1ccc(-c2ncc(C(=O)Nc3ccccc3Sc3ccccc3)c(C)n2)cc1 ZINC000223145794 557438741 /nfs/dbraw/zinc/43/87/41/557438741.db2.gz DOCKYYIZSARHDI-UHFFFAOYSA-N 0 0 427.529 5.864 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 ZINC000223144518 557438754 /nfs/dbraw/zinc/43/87/54/557438754.db2.gz TZIMHHMUBIRNPI-SFHVURJKSA-N 0 0 433.017 5.074 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000223146313 557439006 /nfs/dbraw/zinc/43/90/06/557439006.db2.gz XBEMDZYPGWPGCJ-LJQANCHMSA-N 0 0 447.044 5.464 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223163841 557440527 /nfs/dbraw/zinc/44/05/27/557440527.db2.gz OLTQYFFIYKHZFU-QFIPXVFZSA-N 0 0 445.003 5.221 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223166802 557440856 /nfs/dbraw/zinc/44/08/56/557440856.db2.gz ITZVQWCWZDMKAG-NRFANRHFSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223174881 557441560 /nfs/dbraw/zinc/44/15/60/557441560.db2.gz PRIWEYGZDQMYSE-HXUWFJFHSA-N 0 0 435.574 5.780 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223177837 557441998 /nfs/dbraw/zinc/44/19/98/557441998.db2.gz QOKMPOACJXAXOC-FQEVSTJZSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C ZINC000223180545 557442477 /nfs/dbraw/zinc/44/24/77/557442477.db2.gz HATMJGZYPBFAFB-HSZRJFAPSA-N 0 0 440.653 5.259 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 ZINC000223180266 557442511 /nfs/dbraw/zinc/44/25/11/557442511.db2.gz DHJVGLGIVHKSKL-OAQYLSRUSA-N 0 0 447.044 5.463 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 ZINC000223181103 557442520 /nfs/dbraw/zinc/44/25/20/557442520.db2.gz QGOAPKRFMLHCFE-IBGZPJMESA-N 0 0 447.044 5.297 40 0 IKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223184005 557442864 /nfs/dbraw/zinc/44/28/64/557442864.db2.gz YCKVYZBCLHOFNC-IBGZPJMESA-N 0 0 435.574 5.780 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000223184099 557442883 /nfs/dbraw/zinc/44/28/83/557442883.db2.gz JZHZBNIXLUSEQH-INIZCTEOSA-N 0 0 440.436 6.242 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223184395 557442902 /nfs/dbraw/zinc/44/29/02/557442902.db2.gz PCBDYXSYBZEQCV-FQEVSTJZSA-N 0 0 443.031 5.730 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 ZINC000223184268 557442924 /nfs/dbraw/zinc/44/29/24/557442924.db2.gz LJXUMLALIBCZCP-IBGZPJMESA-N 0 0 429.004 5.169 40 0 IKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1cccs1 ZINC000014405137 557443379 /nfs/dbraw/zinc/44/33/79/557443379.db2.gz GJSDQXMSVOXGBR-CCEZHUSRSA-N 0 0 442.544 5.455 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C ZINC000223193755 557444180 /nfs/dbraw/zinc/44/41/80/557444180.db2.gz YGDOGGHITRBHSX-LJQANCHMSA-N 0 0 447.044 5.215 40 0 IKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSC2CCCCC2)cc1 ZINC000223206825 557445937 /nfs/dbraw/zinc/44/59/37/557445937.db2.gz UMHMWQRPXWIDTC-PGMHBOJBSA-N 0 0 428.623 5.010 40 0 IKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000223206691 557445957 /nfs/dbraw/zinc/44/59/57/557445957.db2.gz PACIXPBMVLYPRV-PHCAOYFPSA-N 0 0 446.572 5.246 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000014400814 557446142 /nfs/dbraw/zinc/44/61/42/557446142.db2.gz YZKZMOBLSMQMMU-LJQANCHMSA-N 0 0 440.008 6.964 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000014400808 557446202 /nfs/dbraw/zinc/44/62/02/557446202.db2.gz FKVQOQDDXFZDGB-UHFFFAOYSA-N 0 0 425.981 6.738 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc21 ZINC000223211916 557446647 /nfs/dbraw/zinc/44/66/47/557446647.db2.gz PEAUKZYDKKIILK-XMMPIXPASA-N 0 0 446.591 5.249 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 ZINC000223212881 557446662 /nfs/dbraw/zinc/44/66/62/557446662.db2.gz XYOXXLHMZINOLF-XMMPIXPASA-N 0 0 438.612 5.219 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C ZINC000223212978 557446724 /nfs/dbraw/zinc/44/67/24/557446724.db2.gz PZUHAVLGWARIFC-QHCPKHFHSA-N 0 0 438.612 5.021 40 0 IKABRN COc1ccccc1C1=Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@@H](c2cccnc2)C1 ZINC000014607628 557447791 /nfs/dbraw/zinc/44/77/91/557447791.db2.gz WHOVEMUIHBOSJL-JOCHJYFZSA-N 0 0 428.923 6.029 40 0 IKABRN COCc1nn2c(nnc3c2C[C@H](C=Cc2ccccc2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014607744 557447801 /nfs/dbraw/zinc/44/78/01/557447801.db2.gz XZNHVUCLZKRERE-OZSKJFCKSA-N 0 0 444.922 5.050 40 0 IKABRN CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccc(F)cc1)C[C@H]2c1ccccn1 ZINC000014607605 557447813 /nfs/dbraw/zinc/44/78/13/557447813.db2.gz ZJNNEZBDEWYSDG-DEOSSOPVSA-N 0 0 426.495 5.769 40 0 IKABRN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccccc2OC)cc1OC ZINC000014608029 557447975 /nfs/dbraw/zinc/44/79/75/557447975.db2.gz UUDUIOSQEVIMBV-DEOSSOPVSA-N 0 0 443.503 5.062 40 0 IKABRN CCC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000014608116 557448193 /nfs/dbraw/zinc/44/81/93/557448193.db2.gz SERQONPIDLCSKS-QFIPXVFZSA-N 0 0 433.533 5.505 40 0 IKABRN CCC1=Nc2ccccc2N=C(NC(=O)CSc2nccc(C)n2)[C@@H]1c1ccccc1 ZINC000014608069 557448215 /nfs/dbraw/zinc/44/82/15/557448215.db2.gz KEMBUMVYNWSFBD-JOCHJYFZSA-N 0 0 429.549 5.003 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223225811 557448191 /nfs/dbraw/zinc/44/81/91/557448191.db2.gz GKZIVCDJRMJTJH-QHCPKHFHSA-N 0 0 440.653 5.259 40 0 IKABRN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCC2 ZINC000223224951 557448233 /nfs/dbraw/zinc/44/82/33/557448233.db2.gz WTHQLBNZXMPUPQ-MRXNPFEDSA-N 0 0 431.407 5.572 40 0 IKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)c(C)c1 ZINC000223225186 557448254 /nfs/dbraw/zinc/44/82/54/557448254.db2.gz JORRBLAQEPGFIM-VNLJKWRZSA-N 0 0 432.589 5.712 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223225390 557448297 /nfs/dbraw/zinc/44/82/97/557448297.db2.gz LMNBPYGDVUFIJN-NRFANRHFSA-N 0 0 447.044 5.463 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223227153 557448581 /nfs/dbraw/zinc/44/85/81/557448581.db2.gz DOOKBVVDVPPDRH-LJQANCHMSA-N 0 0 445.003 5.176 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223227141 557448590 /nfs/dbraw/zinc/44/85/90/557448590.db2.gz BHYATXBLZDYPIE-QHCPKHFHSA-N 0 0 440.653 5.508 40 0 IKABRN CC1(C)CC[C@]23CO[C@H]1[C@H]2[C@H]1CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000072332885 557448837 /nfs/dbraw/zinc/44/88/37/557448837.db2.gz BZNIIOGSANMIET-MODPRFTASA-N 0 0 442.728 7.238 40 0 IKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000014665317 557449056 /nfs/dbraw/zinc/44/90/56/557449056.db2.gz OWBFLSLYRITAKY-FQEVSTJZSA-N 0 0 444.575 5.363 40 0 IKABRN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1cc(C)cc(C)c1 ZINC000014671887 557449180 /nfs/dbraw/zinc/44/91/80/557449180.db2.gz VKVQOWBDFKULEO-AREMUKBSSA-N 0 0 448.588 5.177 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223235157 557449394 /nfs/dbraw/zinc/44/93/94/557449394.db2.gz PGZIUTDMBBSQMN-IBGZPJMESA-N 0 0 447.044 5.215 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)C(C)C ZINC000223244790 557450799 /nfs/dbraw/zinc/45/07/99/557450799.db2.gz ATZCILXHMGTGEQ-UHFFFAOYSA-N 0 0 433.382 5.111 40 0 IKABRN CCc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000223253250 557451291 /nfs/dbraw/zinc/45/12/91/557451291.db2.gz IFXWRCMCUSGGJF-WINIVTDRSA-N 0 0 444.600 5.514 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223254746 557451380 /nfs/dbraw/zinc/45/13/80/557451380.db2.gz VDJSQHJUGXXFGM-DEOSSOPVSA-N 0 0 438.612 5.185 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223264203 557452616 /nfs/dbraw/zinc/45/26/16/557452616.db2.gz MXQVJCGOXXCURC-HOFKKMOUSA-N 0 0 442.603 5.174 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223264102 557452633 /nfs/dbraw/zinc/45/26/33/557452633.db2.gz MXQVJCGOXXCURC-WNCULLNHSA-N 0 0 442.603 5.174 40 0 IKABRN O=C(Nc1ccc(I)cc1)c1cccc(OCc2ccccc2)c1 ZINC000014796021 557452873 /nfs/dbraw/zinc/45/28/73/557452873.db2.gz SQHLFSKQUOKFSF-UHFFFAOYSA-N 0 0 429.257 5.123 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C ZINC000223267549 557453377 /nfs/dbraw/zinc/45/33/77/557453377.db2.gz TZEJXEWMKAWBGY-QHCPKHFHSA-N 0 0 438.612 5.219 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223271465 557454170 /nfs/dbraw/zinc/45/41/70/557454170.db2.gz JJDDGPKGUQIBMT-QHCPKHFHSA-N 0 0 440.653 5.259 40 0 IKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1C(C)C ZINC000223274100 557454594 /nfs/dbraw/zinc/45/45/94/557454594.db2.gz XJPFWLANZAHNAT-NRFANRHFSA-N 0 0 447.644 7.219 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2I)nc1-c1ccc(F)cc1 ZINC000014911213 557455515 /nfs/dbraw/zinc/45/55/15/557455515.db2.gz PIWAAHCHLDLOHL-UHFFFAOYSA-N 0 0 438.265 5.115 40 0 IKABRN COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1OC ZINC000014911538 557455546 /nfs/dbraw/zinc/45/55/46/557455546.db2.gz BNRZLPMIIGITHV-UHFFFAOYSA-N 0 0 433.327 5.151 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccccc1 ZINC000223286371 557456087 /nfs/dbraw/zinc/45/60/87/557456087.db2.gz UEUUCXYEVOBXEC-LJQANCHMSA-N 0 0 439.408 5.029 40 0 IKABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c(Cl)c1Cl ZINC000223296350 557456712 /nfs/dbraw/zinc/45/67/12/557456712.db2.gz MHZRUUKWRAAGGO-CYBMUJFWSA-N 0 0 446.396 5.482 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000223301241 557457048 /nfs/dbraw/zinc/45/70/48/557457048.db2.gz FMCNSOCPHXUXCL-KCWPFWIISA-N 0 0 442.603 5.092 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000223304700 557457197 /nfs/dbraw/zinc/45/71/97/557457197.db2.gz MVFTVGGNGSHEKA-ODHYRZOZSA-N 0 0 430.548 5.534 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223303074 557457220 /nfs/dbraw/zinc/45/72/20/557457220.db2.gz OVCQSTQGAANMMB-QHCPKHFHSA-N 0 0 438.612 5.021 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl ZINC000223308029 557457686 /nfs/dbraw/zinc/45/76/86/557457686.db2.gz DNDJXWJBFQXXAP-JOCHJYFZSA-N 0 0 429.004 5.303 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C ZINC000223312143 557457975 /nfs/dbraw/zinc/45/79/75/557457975.db2.gz BPEJOHVACNUJDS-HSZRJFAPSA-N 0 0 438.612 5.219 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 ZINC000223315831 557458484 /nfs/dbraw/zinc/45/84/84/557458484.db2.gz MEQBYTPXBPPIOZ-NRFANRHFSA-N 0 0 447.044 5.295 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223316495 557458527 /nfs/dbraw/zinc/45/85/27/557458527.db2.gz DZAWDFZBIKDZLR-GOSISDBHSA-N 0 0 449.422 5.486 40 0 IKABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1C(C)C ZINC000223323086 557458962 /nfs/dbraw/zinc/45/89/62/557458962.db2.gz VDAURLJOSKIULD-CQSZACIVSA-N 0 0 430.397 5.614 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](CC)C(=O)NC)cc1 ZINC000223320543 557458973 /nfs/dbraw/zinc/45/89/73/557458973.db2.gz CYLRFSOORQCOGA-NRFANRHFSA-N 0 0 435.395 5.042 40 0 IKABRN COc1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000136658596 557459191 /nfs/dbraw/zinc/45/91/91/557459191.db2.gz MXIRVGLZZCTMMC-FOCFSEODSA-N 0 0 433.507 5.119 40 0 IKABRN CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000223334719 557459999 /nfs/dbraw/zinc/45/99/99/557459999.db2.gz LBFPAISSMPJIQL-QHCPKHFHSA-N 0 0 441.358 5.400 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223346365 557460803 /nfs/dbraw/zinc/46/08/03/557460803.db2.gz MNTPUNXIDYAMGK-QFIPXVFZSA-N 0 0 429.004 5.221 40 0 IKABRN COc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C)n2)cc1Br ZINC000015322876 557461002 /nfs/dbraw/zinc/46/10/02/557461002.db2.gz WPMHPUQVVNYJDT-UHFFFAOYSA-N 0 0 447.354 5.216 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000015319787 557461078 /nfs/dbraw/zinc/46/10/78/557461078.db2.gz HFGYCDBGQAHSPA-UHFFFAOYSA-N 0 0 430.529 5.226 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223352319 557461421 /nfs/dbraw/zinc/46/14/21/557461421.db2.gz MLJWDYNBYWZDFV-HSZRJFAPSA-N 0 0 443.031 5.557 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)n2C)c1 ZINC000021961157 557461916 /nfs/dbraw/zinc/46/19/16/557461916.db2.gz NGDOROTXNJNRDL-UHFFFAOYSA-N 0 0 441.771 5.482 40 0 IKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223357812 557462063 /nfs/dbraw/zinc/46/20/63/557462063.db2.gz LOWMNKVKUAWSMO-DNQXCXABSA-N 0 0 444.560 5.037 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223359872 557462370 /nfs/dbraw/zinc/46/23/70/557462370.db2.gz DNPPQIHGYQMSLB-JOCHJYFZSA-N 0 0 429.004 5.221 40 0 IKABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223359638 557462379 /nfs/dbraw/zinc/46/23/79/557462379.db2.gz DEVXOPBMLUGLJM-VWLOTQADSA-N 0 0 434.967 5.179 40 0 IKABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223360361 557462482 /nfs/dbraw/zinc/46/24/82/557462482.db2.gz CJVPBSQXQQAGBF-SANMLTNESA-N 0 0 448.994 5.569 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccco1 ZINC000223361350 557462563 /nfs/dbraw/zinc/46/25/63/557462563.db2.gz GHCQNKGNBOXQNI-FCHUYYIVSA-N 0 0 435.936 5.761 40 0 IKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000223363250 557462813 /nfs/dbraw/zinc/46/28/13/557462813.db2.gz BLVQXFDAQXQVEO-NRFANRHFSA-N 0 0 439.943 5.085 40 0 IKABRN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1Cl ZINC000223364965 557463040 /nfs/dbraw/zinc/46/30/40/557463040.db2.gz MGRQTPPWZXTVQL-XZOQPEGZSA-N 0 0 449.963 6.069 40 0 IKABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2cccc(Br)c2)cc1C(C)C ZINC000223373499 557463941 /nfs/dbraw/zinc/46/39/41/557463941.db2.gz NFIMQYMUPMIWAL-OAHLLOKOSA-N 0 0 440.403 5.070 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccnc1 ZINC000223374590 557464232 /nfs/dbraw/zinc/46/42/32/557464232.db2.gz CBQJTVITEXIMMD-JWQCQUIFSA-N 0 0 439.588 5.057 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccc1 ZINC000223376202 557464550 /nfs/dbraw/zinc/46/45/50/557464550.db2.gz CPOUEFDIZMEHGT-DNQXCXABSA-N 0 0 444.991 5.698 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000223376192 557464588 /nfs/dbraw/zinc/46/45/88/557464588.db2.gz UBMYHRQVHROMGT-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223375934 557464591 /nfs/dbraw/zinc/46/45/91/557464591.db2.gz HBRGYGJTMJWREL-RPBOFIJWSA-N 0 0 440.572 5.054 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCC1 ZINC000223380519 557465029 /nfs/dbraw/zinc/46/50/29/557465029.db2.gz NSMLAEAXGDWTMS-JWQCQUIFSA-N 0 0 430.621 5.788 40 0 IKABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1C(C)C ZINC000223383484 557465546 /nfs/dbraw/zinc/46/55/46/557465546.db2.gz VGCWNRUJJKPNIS-QGZVFWFLSA-N 0 0 431.598 5.054 40 0 IKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1C(C)C ZINC000223383543 557465564 /nfs/dbraw/zinc/46/55/64/557465564.db2.gz VGCWNRUJJKPNIS-KRWDZBQOSA-N 0 0 431.598 5.054 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223387763 557465891 /nfs/dbraw/zinc/46/58/91/557465891.db2.gz DJXGXLNPEKIOGT-QFIPXVFZSA-N 0 0 429.004 5.303 40 0 IKABRN COc1ccccc1OCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223395232 557466262 /nfs/dbraw/zinc/46/62/62/557466262.db2.gz LDTMIUAHXMABSL-UHFFFAOYSA-N 0 0 427.953 5.450 40 0 IKABRN O=C(NCCOc1ccccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223394695 557466308 /nfs/dbraw/zinc/46/63/08/557466308.db2.gz QLDSYGUINGJTJD-UHFFFAOYSA-N 0 0 432.372 6.095 40 0 IKABRN Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223395096 557466314 /nfs/dbraw/zinc/46/63/14/557466314.db2.gz PLDRMFGGQIXAJB-BJKOFHAPSA-N 0 0 428.536 5.184 40 0 IKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)cc1 ZINC000032692512 557466368 /nfs/dbraw/zinc/46/63/68/557466368.db2.gz RWQLBQGVHAYTHF-UHFFFAOYSA-N 0 0 444.727 5.340 40 0 IKABRN COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223395973 557466508 /nfs/dbraw/zinc/46/65/08/557466508.db2.gz VDLIEKXWRNHCLM-DQEYMECFSA-N 0 0 440.572 5.054 40 0 IKABRN CCc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000223395630 557466509 /nfs/dbraw/zinc/46/65/09/557466509.db2.gz VFBNERWAVWGQQZ-UHFFFAOYSA-N 0 0 425.981 6.004 40 0 IKABRN Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223395269 557466512 /nfs/dbraw/zinc/46/65/12/557466512.db2.gz WULJIOPOBYMBJS-RPWUZVMVSA-N 0 0 428.536 5.184 40 0 IKABRN Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223395310 557466518 /nfs/dbraw/zinc/46/65/18/557466518.db2.gz WULJIOPOBYMBJS-BJKOFHAPSA-N 0 0 428.536 5.184 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccc1 ZINC000223399457 557466816 /nfs/dbraw/zinc/46/68/16/557466816.db2.gz LJDIVWJKUXMCHA-RPWUZVMVSA-N 0 0 445.975 6.168 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccc1 ZINC000223398615 557466898 /nfs/dbraw/zinc/46/68/98/557466898.db2.gz QYEJZEZWQODPKL-ZEQRLZLVSA-N 0 0 443.597 5.999 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000223403178 557467155 /nfs/dbraw/zinc/46/71/55/557467155.db2.gz BLJISOYEGSDNLO-FQEVSTJZSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223406253 557467865 /nfs/dbraw/zinc/46/78/65/557467865.db2.gz KGDBYFCVFALHMS-JOCHJYFZSA-N 0 0 444.616 5.089 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223407461 557467871 /nfs/dbraw/zinc/46/78/71/557467871.db2.gz IBBVXBZOXXZFBF-QFIPXVFZSA-N 0 0 444.616 5.338 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223413382 557468879 /nfs/dbraw/zinc/46/88/79/557468879.db2.gz ZIOYZCKDKKQIBJ-RUZDIDTESA-N 0 0 434.967 5.526 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000223413798 557468959 /nfs/dbraw/zinc/46/89/59/557468959.db2.gz HYDQKMBNSKQKNX-DNQXCXABSA-N 0 0 432.593 5.016 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223414282 557469020 /nfs/dbraw/zinc/46/90/20/557469020.db2.gz YNTKHXUPFVRUMA-SANMLTNESA-N 0 0 448.994 5.569 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223414914 557469204 /nfs/dbraw/zinc/46/92/04/557469204.db2.gz BMUZMQZVCGZEBQ-SFHVURJKSA-N 0 0 449.422 5.486 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223417784 557469652 /nfs/dbraw/zinc/46/96/52/557469652.db2.gz JQYFZFIQXPLCJP-BJKOFHAPSA-N 0 0 434.609 5.262 40 0 IKABRN CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223420899 557470165 /nfs/dbraw/zinc/47/01/65/557470165.db2.gz SPQQYPKTEAEXBO-AREMUKBSSA-N 0 0 448.994 5.425 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC2CCCCCC2)cc1 ZINC000223421668 557470187 /nfs/dbraw/zinc/47/01/87/557470187.db2.gz PLUHZBYYIJEIRF-UHFFFAOYSA-N 0 0 444.597 5.496 40 0 IKABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223420787 557470214 /nfs/dbraw/zinc/47/02/14/557470214.db2.gz CABDRTOZTLXCLS-AREMUKBSSA-N 0 0 448.994 5.569 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223422753 557470556 /nfs/dbraw/zinc/47/05/56/557470556.db2.gz VZHKWJRRSPNAQJ-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN COc1c(F)c(F)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)c(F)c1F ZINC000016194427 557470563 /nfs/dbraw/zinc/47/05/63/557470563.db2.gz QMTVVWYYIAXWRC-UHFFFAOYSA-N 0 0 446.425 5.458 40 0 IKABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223424414 557470794 /nfs/dbraw/zinc/47/07/94/557470794.db2.gz KRUQUIDTKMZQQJ-AREMUKBSSA-N 0 0 448.994 5.569 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016194622 557470792 /nfs/dbraw/zinc/47/07/92/557470792.db2.gz KIWVUFUIEVQINJ-UHFFFAOYSA-N 0 0 446.768 5.392 40 0 IKABRN CCC[C@@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223425622 557470989 /nfs/dbraw/zinc/47/09/89/557470989.db2.gz XZPYGGIDLVHMJH-OAHLLOKOSA-N 0 0 438.977 5.307 40 0 IKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1 ZINC000223425102 557471135 /nfs/dbraw/zinc/47/11/35/557471135.db2.gz QDBIXANLKWPQAR-UHFFFAOYSA-N 0 0 436.027 5.995 40 0 IKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016215161 557471174 /nfs/dbraw/zinc/47/11/74/557471174.db2.gz ZTFGVEUGAVEJJL-UHFFFAOYSA-N 0 0 427.938 5.238 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000223429330 557471257 /nfs/dbraw/zinc/47/12/57/557471257.db2.gz KMFZVCMTABYWIA-KCWPFWIISA-N 0 0 442.603 5.092 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000223430237 557471610 /nfs/dbraw/zinc/47/16/10/557471610.db2.gz PLNFZZGXCDZPMD-JWQCQUIFSA-N 0 0 440.572 5.054 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)c2)cc1 ZINC000223436254 557471809 /nfs/dbraw/zinc/47/18/09/557471809.db2.gz FWRVIPNHEMFKBG-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223434410 557471824 /nfs/dbraw/zinc/47/18/24/557471824.db2.gz RLMMVUHOORAGGP-HSZRJFAPSA-N 0 0 442.575 5.015 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223436393 557471835 /nfs/dbraw/zinc/47/18/35/557471835.db2.gz PHXDQGVTTVNPTN-LOSJGSFVSA-N 0 0 441.556 5.523 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223443065 557472523 /nfs/dbraw/zinc/47/25/23/557472523.db2.gz GJBMQVYOKDTOCH-LOSJGSFVSA-N 0 0 446.620 5.570 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223442964 557472594 /nfs/dbraw/zinc/47/25/94/557472594.db2.gz GJBMQVYOKDTOCH-DQEYMECFSA-N 0 0 446.620 5.570 40 0 IKABRN CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(OC)c(C)c1 ZINC000223450619 557473293 /nfs/dbraw/zinc/47/32/93/557473293.db2.gz PGEWYXPUYMVBTB-IBGZPJMESA-N 0 0 434.374 5.536 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016431206 557473343 /nfs/dbraw/zinc/47/33/43/557473343.db2.gz JOJQYGFEOGQKEZ-UHFFFAOYSA-N 0 0 446.768 5.149 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1cccnc1 ZINC000223453468 557473411 /nfs/dbraw/zinc/47/34/11/557473411.db2.gz UJMKCUDFOVPCMN-XZOQPEGZSA-N 0 0 445.979 5.093 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000223458961 557474639 /nfs/dbraw/zinc/47/46/39/557474639.db2.gz GTSFTVOCNYSNAQ-UHFFFAOYSA-N 0 0 433.617 6.394 40 0 IKABRN C[C@@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000016608433 557474753 /nfs/dbraw/zinc/47/47/53/557474753.db2.gz YXOHRYLHCVUPMD-MCEIDBOGSA-N 0 0 442.648 6.359 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223461728 557474839 /nfs/dbraw/zinc/47/48/39/557474839.db2.gz BADLBROVGYKYNS-OAQYLSRUSA-N 0 0 438.612 5.085 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000016637170 557474884 /nfs/dbraw/zinc/47/48/84/557474884.db2.gz JAWIAFOXPBGWBY-UHFFFAOYSA-N 0 0 444.771 5.512 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000223462530 557474921 /nfs/dbraw/zinc/47/49/21/557474921.db2.gz ZVSFSOCMZRBUOE-SFHVURJKSA-N 0 0 434.502 5.253 40 0 IKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3o2)cc1 ZINC000016692039 557475450 /nfs/dbraw/zinc/47/54/50/557475450.db2.gz RXUAMUOYAALCQM-UHFFFAOYSA-N 0 0 431.517 5.329 40 0 IKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccccc4)ccc3o2)cc1 ZINC000016691935 557475467 /nfs/dbraw/zinc/47/54/67/557475467.db2.gz VFOVARUPFGSJKJ-OVCLIPMQSA-N 0 0 443.528 5.420 40 0 IKABRN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000016773958 557475673 /nfs/dbraw/zinc/47/56/73/557475673.db2.gz HFKCIVAIOTWEEA-LJQANCHMSA-N 0 0 443.576 5.125 40 0 IKABRN Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C ZINC000223470824 557475859 /nfs/dbraw/zinc/47/58/59/557475859.db2.gz KZZCTQOJQMHRCB-LJQANCHMSA-N 0 0 443.429 5.464 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1C ZINC000223472973 557476012 /nfs/dbraw/zinc/47/60/12/557476012.db2.gz NEOGCLBSZXSKHU-DQEYMECFSA-N 0 0 439.588 5.057 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1cccnc1 ZINC000223474701 557476256 /nfs/dbraw/zinc/47/62/56/557476256.db2.gz PHHHJGHGBZTPMZ-DHIUTWEWSA-N 0 0 446.963 5.563 40 0 IKABRN Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 ZINC000223474426 557476308 /nfs/dbraw/zinc/47/63/08/557476308.db2.gz LXDUHYCTECJHLA-DHIUTWEWSA-N 0 0 430.508 5.048 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1 ZINC000017096513 557476659 /nfs/dbraw/zinc/47/66/59/557476659.db2.gz CIQRCKPUJPCCPF-UHFFFAOYSA-N 0 0 429.501 5.120 40 0 IKABRN CC(C)c1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000017096592 557476866 /nfs/dbraw/zinc/47/68/66/557476866.db2.gz ONYYTJAFEGCSSX-UHFFFAOYSA-N 0 0 429.545 5.423 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 ZINC000017096604 557476920 /nfs/dbraw/zinc/47/69/20/557476920.db2.gz IUEIRNLJPDBWMZ-UHFFFAOYSA-N 0 0 429.545 5.801 40 0 IKABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000223481651 557477434 /nfs/dbraw/zinc/47/74/34/557477434.db2.gz HFTNJYUTRJCCCI-SANMLTNESA-N 0 0 448.538 5.021 40 0 IKABRN COc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000017096842 557477802 /nfs/dbraw/zinc/47/78/02/557477802.db2.gz JTQZXJFTCCWRMS-UHFFFAOYSA-N 0 0 430.460 5.020 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000017097139 557478077 /nfs/dbraw/zinc/47/80/77/557478077.db2.gz KJGMWSKQPIHEAS-UHFFFAOYSA-N 0 0 430.573 6.721 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1 ZINC000017096950 557478112 /nfs/dbraw/zinc/47/81/12/557478112.db2.gz JDGNEQTUUDGTKW-KRWDZBQOSA-N 0 0 430.504 6.034 40 0 IKABRN COc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1OC ZINC000017096960 557478127 /nfs/dbraw/zinc/47/81/27/557478127.db2.gz RSJJGIXEOHBDJF-UHFFFAOYSA-N 0 0 430.508 5.122 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1 ZINC000017096949 557478153 /nfs/dbraw/zinc/47/81/53/557478153.db2.gz JDGNEQTUUDGTKW-QGZVFWFLSA-N 0 0 430.504 6.034 40 0 IKABRN COc1cc(NC(=O)c2cccc3ccccc32)ccc1NC(=O)c1ccccc1Cl ZINC000017097226 557478306 /nfs/dbraw/zinc/47/83/06/557478306.db2.gz KXWPWFPAWIXQGJ-UHFFFAOYSA-N 0 0 430.891 6.006 40 0 IKABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000017097205 557478324 /nfs/dbraw/zinc/47/83/24/557478324.db2.gz URMXHVFUZXWQFU-UHFFFAOYSA-N 0 0 430.744 5.122 40 0 IKABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223488883 557478537 /nfs/dbraw/zinc/47/85/37/557478537.db2.gz NTUXDFIJMWUKIE-AREMUKBSSA-N 0 0 432.539 5.055 40 0 IKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000017097271 557478587 /nfs/dbraw/zinc/47/85/87/557478587.db2.gz LDTWFQOYDCUINR-AWNIVKPZSA-N 0 0 430.939 6.158 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3Cl)o2)cc1Cl ZINC000017097400 557478741 /nfs/dbraw/zinc/47/87/41/557478741.db2.gz JBIMIUQYSVGENY-PKNBQFBNSA-N 0 0 431.344 6.088 40 0 IKABRN COc1cc(NC(=O)c2ccc(Br)cc2)ccc1NC(=O)c1cccs1 ZINC000017097375 557478772 /nfs/dbraw/zinc/47/87/72/557478772.db2.gz STVTXKFFFFIIIH-UHFFFAOYSA-N 0 0 431.311 5.024 40 0 IKABRN COc1ccc(C2=Nc3c(-c4ccc(F)cc4)c(C)nn3[C@@H](c3ccco3)C2)cc1OC ZINC000017097472 557478999 /nfs/dbraw/zinc/47/89/99/557478999.db2.gz JLZYWFOFQQPUMK-HXUWFJFHSA-N 0 0 431.467 5.722 40 0 IKABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223492664 557479072 /nfs/dbraw/zinc/47/90/72/557479072.db2.gz XWAQTBDNRWQDHN-HHHXNRCGSA-N 0 0 446.566 5.445 40 0 IKABRN COc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1C ZINC000017097521 557479067 /nfs/dbraw/zinc/47/90/67/557479067.db2.gz BIUPBTGYYQMUCY-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3O)nc2c1 ZINC000017097558 557479207 /nfs/dbraw/zinc/47/92/07/557479207.db2.gz SFAGWHDORXMXLH-UHFFFAOYSA-N 0 0 431.517 5.198 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000017097548 557479229 /nfs/dbraw/zinc/47/92/29/557479229.db2.gz KXLWEBQZLVVMIV-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1 ZINC000017097562 557479231 /nfs/dbraw/zinc/47/92/31/557479231.db2.gz VNQRREGJNZAAKN-UHFFFAOYSA-N 0 0 431.517 5.198 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223495521 557479247 /nfs/dbraw/zinc/47/92/47/557479247.db2.gz USDDUVPKIKDHLU-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4C)ccc3O)oc2c(C)c1 ZINC000017097570 557479470 /nfs/dbraw/zinc/47/94/70/557479470.db2.gz VMZXOHUUHAVENS-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000017097584 557479486 /nfs/dbraw/zinc/47/94/86/557479486.db2.gz LVOTVVHFESWTQS-UHFFFAOYSA-N 0 0 431.517 5.198 40 0 IKABRN Cc1cccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000017097569 557479533 /nfs/dbraw/zinc/47/95/33/557479533.db2.gz PIMMESSBCDVVFI-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000223499370 557479675 /nfs/dbraw/zinc/47/96/75/557479675.db2.gz MSZLBOZWKWGOMB-NRFANRHFSA-N 0 0 449.422 5.648 40 0 IKABRN Cc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 ZINC000017097828 557479943 /nfs/dbraw/zinc/47/99/43/557479943.db2.gz RRKYAWXMDWBHNP-SOFGYWHQSA-N 0 0 432.332 5.483 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)cn3)o2)cc1Cl ZINC000017097830 557480009 /nfs/dbraw/zinc/48/00/09/557480009.db2.gz BYRXIQVDBBYFNH-RMKNXTFCSA-N 0 0 432.332 5.483 40 0 IKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccc2c(Cl)cccc12 ZINC000017097858 557480171 /nfs/dbraw/zinc/48/01/71/557480171.db2.gz CEDHSTKEFNZCLU-UHFFFAOYSA-N 0 0 432.357 5.883 40 0 IKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000017097838 557480192 /nfs/dbraw/zinc/48/01/92/557480192.db2.gz CANDIYDEDRUYSR-UHFFFAOYSA-N 0 0 432.343 5.116 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)c(F)c1F ZINC000017097866 557480214 /nfs/dbraw/zinc/48/02/14/557480214.db2.gz LWNQBRBHCCEQER-UHFFFAOYSA-N 0 0 432.373 5.065 40 0 IKABRN CC(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1 ZINC000017097999 557480486 /nfs/dbraw/zinc/48/04/86/557480486.db2.gz LQJAJQWGVWFXJP-UHFFFAOYSA-N 0 0 432.523 7.538 40 0 IKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1sc2ccccc2c1Cl ZINC000017098211 557480596 /nfs/dbraw/zinc/48/05/96/557480596.db2.gz XFGFJNCPWQLWDQ-UHFFFAOYSA-N 0 0 432.888 5.608 40 0 IKABRN Cc1cccc([C@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 ZINC000017098242 557480628 /nfs/dbraw/zinc/48/06/28/557480628.db2.gz BRAKHPTVCTZZOM-OAQYLSRUSA-N 0 0 432.932 5.735 40 0 IKABRN Cc1cccc([C@@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 ZINC000017098241 557480635 /nfs/dbraw/zinc/48/06/35/557480635.db2.gz BRAKHPTVCTZZOM-NRFANRHFSA-N 0 0 432.932 5.735 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000017098333 557480786 /nfs/dbraw/zinc/48/07/86/557480786.db2.gz JLYUGQUIJSEQAJ-HNNXBMFYSA-N 0 0 433.331 6.889 40 0 IKABRN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccc2c(Cl)cccc12 ZINC000017098312 557480790 /nfs/dbraw/zinc/48/07/90/557480790.db2.gz CVXLPJWZRRMDCO-UHFFFAOYSA-N 0 0 433.294 7.207 40 0 IKABRN O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cccc2c(Cl)cccc12 ZINC000017098311 557480813 /nfs/dbraw/zinc/48/08/13/557480813.db2.gz JBISMCQNWNEPJI-UHFFFAOYSA-N 0 0 433.294 7.207 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccncc1 ZINC000223511212 557480945 /nfs/dbraw/zinc/48/09/45/557480945.db2.gz NUPPNEKTQYMSAG-PKTZIBPZSA-N 0 0 444.585 5.394 40 0 IKABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000017098351 557481058 /nfs/dbraw/zinc/48/10/58/557481058.db2.gz OPNIYTVFPLPQCA-UHFFFAOYSA-N 0 0 433.364 5.051 40 0 IKABRN CC(C)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000017098350 557481070 /nfs/dbraw/zinc/48/10/70/557481070.db2.gz GPKNWZASBWYZBZ-UHFFFAOYSA-N 0 0 433.360 6.504 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccncc1 ZINC000223512007 557481093 /nfs/dbraw/zinc/48/10/93/557481093.db2.gz GXZUFTAAOTXXJH-PKTZIBPZSA-N 0 0 446.963 5.563 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccncc1 ZINC000223511932 557481116 /nfs/dbraw/zinc/48/11/16/557481116.db2.gz GXZUFTAAOTXXJH-DHIUTWEWSA-N 0 0 446.963 5.563 40 0 IKABRN Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 ZINC000223511833 557481128 /nfs/dbraw/zinc/48/11/28/557481128.db2.gz KZLYTWXYCMNPIG-GOTSBHOMSA-N 0 0 430.508 5.048 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1Br ZINC000017098469 557481241 /nfs/dbraw/zinc/48/12/41/557481241.db2.gz UENLRNGAZYYJNS-UHFFFAOYSA-N 0 0 433.527 5.516 40 0 IKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000017098591 557481382 /nfs/dbraw/zinc/48/13/82/557481382.db2.gz UGRUPRLEROLHPE-UHFFFAOYSA-N 0 0 433.577 5.239 40 0 IKABRN COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000017098551 557481402 /nfs/dbraw/zinc/48/14/02/557481402.db2.gz VZHXNOWZSLVWIM-UHFFFAOYSA-N 0 0 433.558 5.407 40 0 IKABRN Cc1ccc2nc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000017098559 557481431 /nfs/dbraw/zinc/48/14/31/557481431.db2.gz YTFFMCASVJSECV-UHFFFAOYSA-N 0 0 433.558 5.311 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 ZINC000017098541 557481489 /nfs/dbraw/zinc/48/14/89/557481489.db2.gz NRVUOXOXRRGSSP-UHFFFAOYSA-N 0 0 433.558 5.358 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(F)c1F ZINC000017098751 557481824 /nfs/dbraw/zinc/48/18/24/557481824.db2.gz CRDCAJYHUWVDFV-UHFFFAOYSA-N 0 0 434.320 5.451 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c(F)c1F ZINC000017098750 557481843 /nfs/dbraw/zinc/48/18/43/557481843.db2.gz WLFQIPSQVWPEFT-UHFFFAOYSA-N 0 0 434.320 5.451 40 0 IKABRN Cc1nn2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)nc2c1-c1ccccc1 ZINC000017098859 557482023 /nfs/dbraw/zinc/48/20/23/557482023.db2.gz YLSBIXKAAYVDLY-UHFFFAOYSA-N 0 0 434.499 6.058 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000017099188 557482253 /nfs/dbraw/zinc/48/22/53/557482253.db2.gz PFFTVZHXVGRJDY-UHFFFAOYSA-N 0 0 434.628 7.178 40 0 IKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000017099184 557482257 /nfs/dbraw/zinc/48/22/57/557482257.db2.gz AINNUYXQHNYVNC-UHFFFAOYSA-N 0 0 434.609 5.052 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)cc1C ZINC000017099272 557482369 /nfs/dbraw/zinc/48/23/69/557482369.db2.gz JUSQTSZVYSKCKM-UHFFFAOYSA-N 0 0 434.923 6.561 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)c(C)c1 ZINC000017099273 557482417 /nfs/dbraw/zinc/48/24/17/557482417.db2.gz NMQJWTDYZSBQHP-UHFFFAOYSA-N 0 0 434.923 6.561 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccn1 ZINC000223528258 557482444 /nfs/dbraw/zinc/48/24/44/557482444.db2.gz OTZURBRWYFQZSN-PKTZIBPZSA-N 0 0 445.979 5.093 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000017099295 557482626 /nfs/dbraw/zinc/48/26/26/557482626.db2.gz AZXRHLOXZNECRH-UHFFFAOYSA-N 0 0 434.927 5.767 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 ZINC000017099285 557482652 /nfs/dbraw/zinc/48/26/52/557482652.db2.gz HHUWVVJMJUJBQV-INIZCTEOSA-N 0 0 434.923 6.679 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCC1 ZINC000223532516 557482886 /nfs/dbraw/zinc/48/28/86/557482886.db2.gz LQNKQGVAASRQPD-BJKOFHAPSA-N 0 0 431.609 5.183 40 0 IKABRN CCCCc1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)cc1 ZINC000017099448 557483026 /nfs/dbraw/zinc/48/30/26/557483026.db2.gz JMKUEZUWDJLJBU-UHFFFAOYSA-N 0 0 435.387 5.236 40 0 IKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4F)ccc3O)oc2c(C)c1 ZINC000017099496 557483043 /nfs/dbraw/zinc/48/30/43/557483043.db2.gz FVITYWYTDTZJAS-UHFFFAOYSA-N 0 0 435.480 5.083 40 0 IKABRN Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000017099431 557483054 /nfs/dbraw/zinc/48/30/54/557483054.db2.gz KVVGNWLRZINVIL-UHFFFAOYSA-N 0 0 435.332 5.703 40 0 IKABRN Cc1cc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1C ZINC000017099429 557483107 /nfs/dbraw/zinc/48/31/07/557483107.db2.gz BTLBAARUMPLUIV-UHFFFAOYSA-N 0 0 435.332 5.703 40 0 IKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3O)nc2c1 ZINC000017099504 557483314 /nfs/dbraw/zinc/48/33/14/557483314.db2.gz TTWQMARROLDVJM-UHFFFAOYSA-N 0 0 435.480 5.029 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C ZINC000223540202 557483311 /nfs/dbraw/zinc/48/33/11/557483311.db2.gz ROYYEJRDHXQQBK-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4Cl)cc3)oc2c1 ZINC000017099845 557483663 /nfs/dbraw/zinc/48/36/63/557483663.db2.gz KFHGEGIPOOSJRK-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(I)cc1F ZINC000017099911 557483685 /nfs/dbraw/zinc/48/36/85/557483685.db2.gz IIXNLMUFYHJQIC-QHHAFSJGSA-N 0 0 436.051 5.389 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000223544080 557483692 /nfs/dbraw/zinc/48/36/92/557483692.db2.gz LFSXGKJCSKYOGZ-OAQYLSRUSA-N 0 0 449.422 5.648 40 0 IKABRN O=C(NCCOc1cccc2ccccc21)c1ccc(OCc2ccccc2Cl)cc1 ZINC000223544180 557483776 /nfs/dbraw/zinc/48/37/76/557483776.db2.gz ZKSHWPPDNHKMIP-UHFFFAOYSA-N 0 0 431.919 5.881 40 0 IKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000017100111 557483934 /nfs/dbraw/zinc/48/39/34/557483934.db2.gz MBBZIMMRPDRRPG-UHFFFAOYSA-N 0 0 436.467 6.099 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000017100133 557484155 /nfs/dbraw/zinc/48/41/55/557484155.db2.gz VLIMJUNPMJNISV-INIZCTEOSA-N 0 0 436.474 5.073 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000017094288 557484172 /nfs/dbraw/zinc/48/41/72/557484172.db2.gz YEIIVBCDNWWFOL-NTUHNPAUSA-N 0 0 425.315 5.827 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000017100131 557484180 /nfs/dbraw/zinc/48/41/80/557484180.db2.gz VLIMJUNPMJNISV-MRXNPFEDSA-N 0 0 436.474 5.073 40 0 IKABRN O=C(NCCOc1cccc2ccccc21)c1ccc(OCCSc2ccccc2)cc1 ZINC000223549187 557484457 /nfs/dbraw/zinc/48/44/57/557484457.db2.gz PHUVSTOWYFLAMA-UHFFFAOYSA-N 0 0 443.568 5.820 40 0 IKABRN COc1cc([C@@H]2CC(C)=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc(OC)c1OC ZINC000017094632 557484623 /nfs/dbraw/zinc/48/46/23/557484623.db2.gz KBOPFWOPOCGYOS-SFHVURJKSA-N 0 0 425.916 5.623 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1C ZINC000223549930 557484631 /nfs/dbraw/zinc/48/46/31/557484631.db2.gz ARHYMFFZYJUQBK-DQEYMECFSA-N 0 0 439.588 5.057 40 0 IKABRN COc1cc([C@H]2CC(C)=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc(OC)c1OC ZINC000017094633 557484651 /nfs/dbraw/zinc/48/46/51/557484651.db2.gz KBOPFWOPOCGYOS-GOSISDBHSA-N 0 0 425.916 5.623 40 0 IKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)C(C)(C)C ZINC000017094538 557484655 /nfs/dbraw/zinc/48/46/55/557484655.db2.gz FOUCXJFZIVJOTH-UHFFFAOYSA-N 0 0 425.554 5.486 40 0 IKABRN O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cccnc1Cl ZINC000017094625 557484703 /nfs/dbraw/zinc/48/47/03/557484703.db2.gz XDLCJWNQXYEZJS-UHFFFAOYSA-N 0 0 425.875 6.463 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)nc2c(C)c1 ZINC000017094686 557484835 /nfs/dbraw/zinc/48/48/35/557484835.db2.gz QAKGANQXLINKGV-UHFFFAOYSA-N 0 0 425.966 5.847 40 0 IKABRN Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 ZINC000223551867 557484966 /nfs/dbraw/zinc/48/49/66/557484966.db2.gz FEOCKSLRNKJUSD-XZOQPEGZSA-N 0 0 430.508 5.048 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccn1 ZINC000223551148 557484993 /nfs/dbraw/zinc/48/49/93/557484993.db2.gz OLKPFSAZFWIUEG-GOTSBHOMSA-N 0 0 444.585 5.394 40 0 IKABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCCC2=CCCCC2)c2ccccc2)cc1 ZINC000223553924 557485179 /nfs/dbraw/zinc/48/51/79/557485179.db2.gz CTKNCNPNJKEMPJ-SANMLTNESA-N 0 0 448.607 5.428 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223552877 557485202 /nfs/dbraw/zinc/48/52/02/557485202.db2.gz ZVCLYWNFRQJDKQ-JOCHJYFZSA-N 0 0 444.641 5.140 40 0 IKABRN Cc1cc2sc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)nc2c(C)c1 ZINC000017094883 557485288 /nfs/dbraw/zinc/48/52/88/557485288.db2.gz SKWGULXXLMCOGA-UHFFFAOYSA-N 0 0 426.497 5.939 40 0 IKABRN COc1ccc(-c2csc(NC(=O)COc3cc(C)ccc3C(C)C)n2)cc1OC ZINC000017094939 557485290 /nfs/dbraw/zinc/48/52/90/557485290.db2.gz WXGNVFBAQLASNC-UHFFFAOYSA-N 0 0 426.538 5.277 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223555262 557485399 /nfs/dbraw/zinc/48/53/99/557485399.db2.gz ASQXZUMJPCROJF-JOCHJYFZSA-N 0 0 444.641 5.140 40 0 IKABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(C)cc2)c2ccccc2)cc1 ZINC000223554662 557485456 /nfs/dbraw/zinc/48/54/56/557485456.db2.gz QZAUNPLGORBANG-AREMUKBSSA-N 0 0 444.575 5.046 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc(OCC)c1OCC ZINC000017095031 557485471 /nfs/dbraw/zinc/48/54/71/557485471.db2.gz KRUOYSNVYPZEIR-SFHVURJKSA-N 0 0 426.557 5.514 40 0 IKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000017095157 557485481 /nfs/dbraw/zinc/48/54/81/557485481.db2.gz CZMSLTLDRHPQSO-UHFFFAOYSA-N 0 0 426.866 5.755 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1Cl ZINC000017095106 557485522 /nfs/dbraw/zinc/48/55/22/557485522.db2.gz UROVCIYKZSIYNJ-UHFFFAOYSA-N 0 0 426.649 6.300 40 0 IKABRN COc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1Cl ZINC000017095207 557485733 /nfs/dbraw/zinc/48/57/33/557485733.db2.gz HIOHDRITBMKIFR-UHFFFAOYSA-N 0 0 426.925 5.054 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000017095269 557485874 /nfs/dbraw/zinc/48/58/74/557485874.db2.gz ZPWMHEPLBMYDPW-UHFFFAOYSA-N 0 0 427.287 5.497 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccccc1Cl ZINC000017095283 557486128 /nfs/dbraw/zinc/48/61/28/557486128.db2.gz GMULACSOIMZPFR-UHFFFAOYSA-N 0 0 427.291 5.053 40 0 IKABRN CCN(CC)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 ZINC000017095320 557486133 /nfs/dbraw/zinc/48/61/33/557486133.db2.gz GYYKVSWOXUOAFD-UHFFFAOYSA-N 0 0 427.342 5.709 40 0 IKABRN COc1ccc(O)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000017095317 557486174 /nfs/dbraw/zinc/48/61/74/557486174.db2.gz TYDMJFRNSRSJPI-UHFFFAOYSA-N 0 0 427.334 5.049 40 0 IKABRN CCc1cccc(C)c1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000017095331 557486192 /nfs/dbraw/zinc/48/61/92/557486192.db2.gz XCAPDAQKVJJROL-UHFFFAOYSA-N 0 0 427.367 5.600 40 0 IKABRN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000017095292 557486205 /nfs/dbraw/zinc/48/62/05/557486205.db2.gz VRWQBKQODNPKFC-UHFFFAOYSA-N 0 0 427.298 5.556 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223563123 557486452 /nfs/dbraw/zinc/48/64/52/557486452.db2.gz CXZZNRDWCGZDJY-XMMPIXPASA-N 0 0 440.653 5.260 40 0 IKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 ZINC000017095663 557486457 /nfs/dbraw/zinc/48/64/57/557486457.db2.gz DUIHWNNLZTVGKO-UHFFFAOYSA-N 0 0 427.957 5.449 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 ZINC000017095825 557486894 /nfs/dbraw/zinc/48/68/94/557486894.db2.gz PNVVMRZQVYZVRT-KRWDZBQOSA-N 0 0 428.488 5.018 40 0 IKABRN O=C(NC(=S)Nc1c(O)ccc2ccccc21)c1cccc(OCc2ccccc2)c1 ZINC000017095872 557487063 /nfs/dbraw/zinc/48/70/63/557487063.db2.gz WSJKMRWDJQDWLI-UHFFFAOYSA-N 0 0 428.513 5.251 40 0 IKABRN Cc1cccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)c1 ZINC000017095884 557487075 /nfs/dbraw/zinc/48/70/75/557487075.db2.gz HWZMULQSSMEYCM-UHFFFAOYSA-N 0 0 428.513 5.204 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000017095955 557487345 /nfs/dbraw/zinc/48/73/45/557487345.db2.gz PKXCVCVVFVZUIM-VGOFMYFVSA-N 0 0 428.532 5.628 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 ZINC000017095932 557487348 /nfs/dbraw/zinc/48/73/48/557487348.db2.gz GFHVYWIDIXQWGN-IBGZPJMESA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000017095934 557487356 /nfs/dbraw/zinc/48/73/56/557487356.db2.gz GIOSUISNOGUGON-KRWDZBQOSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 ZINC000017095937 557487363 /nfs/dbraw/zinc/48/73/63/557487363.db2.gz AGDXCDACWLMBDR-GOSISDBHSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 ZINC000017095966 557487381 /nfs/dbraw/zinc/48/73/81/557487381.db2.gz MCTVGIGNSNCFLI-GOSISDBHSA-N 0 0 428.532 6.643 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 ZINC000017095954 557487386 /nfs/dbraw/zinc/48/73/86/557487386.db2.gz QSIUDPUNYSTLOS-UHFFFAOYSA-N 0 0 428.532 6.561 40 0 IKABRN CCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1 ZINC000017095964 557487410 /nfs/dbraw/zinc/48/74/10/557487410.db2.gz MYVOZSDRZVKLCR-GOSISDBHSA-N 0 0 428.532 6.588 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 ZINC000017095931 557487415 /nfs/dbraw/zinc/48/74/15/557487415.db2.gz GFHVYWIDIXQWGN-LJQANCHMSA-N 0 0 428.532 6.643 40 0 IKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000017095987 557487687 /nfs/dbraw/zinc/48/76/87/557487687.db2.gz RIRAWWZGXDEDRV-UHFFFAOYSA-N 0 0 428.536 5.892 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc([C@H](C)CC)cc4)cc3)nc2c1 ZINC000017095970 557487707 /nfs/dbraw/zinc/48/77/07/557487707.db2.gz FETXDIRCBKUYFB-GOSISDBHSA-N 0 0 428.532 6.588 40 0 IKABRN Cc1cccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1C ZINC000017095994 557487724 /nfs/dbraw/zinc/48/77/24/557487724.db2.gz JFCUXLXAHCAACB-UHFFFAOYSA-N 0 0 428.536 5.487 40 0 IKABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc([C@H](C)CC)cc4)cc3n2)cc1 ZINC000017095998 557487743 /nfs/dbraw/zinc/48/77/43/557487743.db2.gz SBXUSMDKNRVWRF-GOSISDBHSA-N 0 0 428.536 5.514 40 0 IKABRN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017096181 557487879 /nfs/dbraw/zinc/48/78/79/557487879.db2.gz FCDIIQNJYIJFDV-UHFFFAOYSA-N 0 0 428.875 6.338 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000017096117 557487909 /nfs/dbraw/zinc/48/79/09/557487909.db2.gz SYAONAWYYYWIOR-MRXNPFEDSA-N 0 0 428.598 5.139 40 0 IKABRN O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1cccnc1Cl ZINC000017096152 557487933 /nfs/dbraw/zinc/48/79/33/557487933.db2.gz AJOBOTRIGLBFEI-UHFFFAOYSA-N 0 0 428.673 5.558 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cc4ccncc4)cc3)o2)cc1Cl ZINC000017096230 557488175 /nfs/dbraw/zinc/48/81/75/557488175.db2.gz HJOCGVANZHWPOM-PKNBQFBNSA-N 0 0 428.919 6.546 40 0 IKABRN Cc1ccc2nc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)sc2c1 ZINC000017096344 557488281 /nfs/dbraw/zinc/48/82/81/557488281.db2.gz FDQSEMFQBGJGHP-QPJJXVBHSA-N 0 0 429.328 6.823 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1Cl ZINC000017096345 557488328 /nfs/dbraw/zinc/48/83/28/557488328.db2.gz IZLBUDVJARPARW-UHFFFAOYSA-N 0 0 429.328 6.531 40 0 IKABRN O=C(NCCOc1ccc2ccccc2c1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223581316 557488446 /nfs/dbraw/zinc/48/84/46/557488446.db2.gz UUJAYJLEEPEOEP-UHFFFAOYSA-N 0 0 447.987 6.594 40 0 IKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000017096380 557488575 /nfs/dbraw/zinc/48/85/75/557488575.db2.gz FGLGOTXQOCWOFN-XNWJVHIKSA-N 0 0 429.358 5.488 40 0 IKABRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)CC1 ZINC000017096362 557488585 /nfs/dbraw/zinc/48/85/85/557488585.db2.gz XVLSYRRLRCWJHN-UHFFFAOYSA-N 0 0 429.347 6.742 40 0 IKABRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 ZINC000017096361 557488615 /nfs/dbraw/zinc/48/86/15/557488615.db2.gz ZXJJOTKVKPSLCO-UHFFFAOYSA-N 0 0 429.347 6.742 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000017100269 557488821 /nfs/dbraw/zinc/48/88/21/557488821.db2.gz APWHDFMMIOPFGT-UHFFFAOYSA-N 0 0 436.511 6.789 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223583393 557488804 /nfs/dbraw/zinc/48/88/04/557488804.db2.gz KNOQGEGDPTYMEB-QFIPXVFZSA-N 0 0 428.576 5.070 40 0 IKABRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1cccc(OCc2ccccc2)c1 ZINC000017100466 557489114 /nfs/dbraw/zinc/48/91/14/557489114.db2.gz UDRKXUZBRCIKKJ-UHFFFAOYSA-N 0 0 436.536 6.795 40 0 IKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3cccc4ccccc43)c2C(N)=O)C1 ZINC000017100643 557489304 /nfs/dbraw/zinc/48/93/04/557489304.db2.gz AEUIOMIFLBHSBH-MRXNPFEDSA-N 0 0 436.577 5.169 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000017100906 557489663 /nfs/dbraw/zinc/48/96/63/557489663.db2.gz TZDSMCPEMAYAQA-QGZVFWFLSA-N 0 0 436.939 6.123 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223593004 557489924 /nfs/dbraw/zinc/48/99/24/557489924.db2.gz QTUGXZODHZQGDU-QHCPKHFHSA-N 0 0 445.003 5.223 40 0 IKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000017101248 557490080 /nfs/dbraw/zinc/49/00/80/557490080.db2.gz CLGSWKYWAGWRLI-LLVKDONJSA-N 0 0 437.417 6.848 40 0 IKABRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc2ccccc2c1 ZINC000017101485 557490306 /nfs/dbraw/zinc/49/03/06/557490306.db2.gz UVISOPIJSONFJO-UHFFFAOYSA-N 0 0 437.524 5.453 40 0 IKABRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(Br)c1 ZINC000017101675 557490369 /nfs/dbraw/zinc/49/03/69/557490369.db2.gz CXZDVSPBOREOHR-UHFFFAOYSA-N 0 0 437.668 5.248 40 0 IKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000017101680 557490521 /nfs/dbraw/zinc/49/05/21/557490521.db2.gz AJDCNIGSLMCSNC-UHFFFAOYSA-N 0 0 437.710 6.508 40 0 IKABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000017101829 557490732 /nfs/dbraw/zinc/49/07/32/557490732.db2.gz WQGKMQONQVEVNF-UHFFFAOYSA-N 0 0 437.977 6.052 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223606556 557490967 /nfs/dbraw/zinc/49/09/67/557490967.db2.gz GXMRLWYISKGFOA-NRFANRHFSA-N 0 0 435.395 5.260 40 0 IKABRN CC(C)CC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000017102011 557491046 /nfs/dbraw/zinc/49/10/46/557491046.db2.gz GJGLTUWIFNZZKG-UHFFFAOYSA-N 0 0 438.405 6.129 40 0 IKABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl ZINC000017102633 557491269 /nfs/dbraw/zinc/49/12/69/557491269.db2.gz XPZKQKYVINNNPT-UHFFFAOYSA-N 0 0 438.561 5.536 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 ZINC000017102424 557491284 /nfs/dbraw/zinc/49/12/84/557491284.db2.gz LHCPDRZQNWCNJU-MRXNPFEDSA-N 0 0 438.549 5.540 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3)nc2c1 ZINC000017102662 557491292 /nfs/dbraw/zinc/49/12/92/557491292.db2.gz NWBBSQQMGVIHLB-CFIBSBMNSA-N 0 0 438.571 7.784 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C ZINC000223609873 557491514 /nfs/dbraw/zinc/49/15/14/557491514.db2.gz WLVZPZOIGSMECK-XMMPIXPASA-N 0 0 440.653 5.260 40 0 IKABRN COc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)cc1OC ZINC000017103061 557491809 /nfs/dbraw/zinc/49/18/09/557491809.db2.gz FLKZYESROOKEOW-UHFFFAOYSA-N 0 0 439.320 5.152 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)nc2c1 ZINC000017103148 557491945 /nfs/dbraw/zinc/49/19/45/557491945.db2.gz CEGJANYHBJVGCD-CQSZACIVSA-N 0 0 439.342 7.567 40 0 IKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000017103167 557492005 /nfs/dbraw/zinc/49/20/05/557492005.db2.gz YNFJVEWPIZMHMF-UHFFFAOYSA-N 0 0 439.346 6.411 40 0 IKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000017103170 557492015 /nfs/dbraw/zinc/49/20/15/557492015.db2.gz CSICRBGZHVGBSL-UHFFFAOYSA-N 0 0 439.346 6.411 40 0 IKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000017103211 557492038 /nfs/dbraw/zinc/49/20/38/557492038.db2.gz RWPVHSUCGGTBKN-DHZHZOJOSA-N 0 0 439.367 7.230 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]5OC(C)(C)O[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118917415 557493023 /nfs/dbraw/zinc/49/30/23/557493023.db2.gz UHBMRCJLSUUKRV-GELILGFASA-N 0 0 432.601 5.050 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118917414 557493044 /nfs/dbraw/zinc/49/30/44/557493044.db2.gz UHBMRCJLSUUKRV-OMVZSZLZSA-N 0 0 432.601 5.050 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@@H]2O ZINC000118916271 557493488 /nfs/dbraw/zinc/49/34/88/557493488.db2.gz QUYCEUJYTAJEMW-ALFTXSEJSA-N 0 0 448.569 6.463 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223627278 557493581 /nfs/dbraw/zinc/49/35/81/557493581.db2.gz SFLQJONAEMTMFB-QFIPXVFZSA-N 0 0 428.576 5.070 40 0 IKABRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118916305 557493812 /nfs/dbraw/zinc/49/38/12/557493812.db2.gz AHQGBTJUQBJWCN-ARZCWHKOSA-N 0 0 436.592 6.107 40 0 IKABRN O=C(NCCOc1ccc2ccccc2c1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000223628859 557493807 /nfs/dbraw/zinc/49/38/07/557493807.db2.gz CKLFHPHLMYSPMH-UHFFFAOYSA-N 0 0 431.919 5.881 40 0 IKABRN CC(=O)N[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]12 ZINC000118932535 557494015 /nfs/dbraw/zinc/49/40/15/557494015.db2.gz HKIHSDNRYFUGCU-NHGCSETBSA-N 0 0 443.716 6.503 40 0 IKABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000223632164 557494193 /nfs/dbraw/zinc/49/41/93/557494193.db2.gz KQJDOIWDXMXHAQ-WOJBJXKFSA-N 0 0 448.375 5.003 40 0 IKABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000223632024 557494242 /nfs/dbraw/zinc/49/42/42/557494242.db2.gz KQJDOIWDXMXHAQ-PMACEKPBSA-N 0 0 448.375 5.003 40 0 IKABRN CC(C)c1ccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1 ZINC000223632962 557494451 /nfs/dbraw/zinc/49/44/51/557494451.db2.gz BGNILLSBFVCYTB-UHFFFAOYSA-N 0 0 436.533 5.114 40 0 IKABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000223632313 557494512 /nfs/dbraw/zinc/49/45/12/557494512.db2.gz IJJXMWARWKYGJE-VQTJNVASSA-N 0 0 448.375 5.003 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223634477 557494661 /nfs/dbraw/zinc/49/46/61/557494661.db2.gz XZHJNWGWNLLWNO-GOSISDBHSA-N 0 0 433.017 5.074 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118925653 557494712 /nfs/dbraw/zinc/49/47/12/557494712.db2.gz UOYOJYKLYHOIHZ-WLSCSYPLSA-N 0 0 442.684 7.139 40 0 IKABRN CCC1(CC)C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000118927829 557494946 /nfs/dbraw/zinc/49/49/46/557494946.db2.gz NYYBWRGTXVHQCX-NCCRCWGKSA-N 0 0 440.756 9.013 40 0 IKABRN CC[C@@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118927616 557494965 /nfs/dbraw/zinc/49/49/65/557494965.db2.gz OLLAJSNLQPFYSL-IKLSCMFCSA-N 0 0 442.728 8.206 40 0 IKABRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118927560 557494989 /nfs/dbraw/zinc/49/49/89/557494989.db2.gz FDKJNVMJOZNFQP-PHCSLUTCSA-N 0 0 430.629 6.086 40 0 IKABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223639504 557495131 /nfs/dbraw/zinc/49/51/31/557495131.db2.gz FILAURFNGOUSBT-SNVBAGLBSA-N 0 0 438.734 5.027 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223643296 557495758 /nfs/dbraw/zinc/49/57/58/557495758.db2.gz IWSQPDOOYIEGAA-HSZRJFAPSA-N 0 0 445.003 5.059 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 ZINC000223643848 557495988 /nfs/dbraw/zinc/49/59/88/557495988.db2.gz LVKUXOQLOREUSK-RUZDIDTESA-N 0 0 438.612 5.221 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 ZINC000223644130 557495992 /nfs/dbraw/zinc/49/59/92/557495992.db2.gz IEPDDCRPVWTKBD-XMMPIXPASA-N 0 0 440.653 5.342 40 0 IKABRN CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 ZINC000119228355 557496222 /nfs/dbraw/zinc/49/62/22/557496222.db2.gz GTIKQIIGVJEOLB-YILKZWTPSA-N 0 0 428.701 7.649 40 0 IKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5nc(-c6ccccn6)cs5)(C4)C2)C3)cc1 ZINC000018068832 557496292 /nfs/dbraw/zinc/49/62/92/557496292.db2.gz BYVKTMNEBLLFHL-GBXBDOIYSA-N 0 0 429.589 5.990 40 0 IKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5ccc(Br)cn5)(C4)C2)C3)cc1 ZINC000018068123 557496302 /nfs/dbraw/zinc/49/63/02/557496302.db2.gz CJWWQJMPLQYICM-WDXRGRCHSA-N 0 0 425.370 5.629 40 0 IKABRN O=C1[C@H]2[C@H](C(=O)N1CCc1ccc(Cl)cc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018084535 557496317 /nfs/dbraw/zinc/49/63/17/557496317.db2.gz FMOSHKWMZZHYAP-XDZVQPMWSA-N 0 0 441.958 5.621 40 0 IKABRN Cc1c(Cl)cccc1N(CCCC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000223647270 557496748 /nfs/dbraw/zinc/49/67/48/557496748.db2.gz WTFJPDQSTCTQSO-UHFFFAOYSA-N 0 0 449.787 5.140 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 ZINC000223652023 557497590 /nfs/dbraw/zinc/49/75/90/557497590.db2.gz OJVNFUXOCOLFFH-XMMPIXPASA-N 0 0 440.653 5.260 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223656832 557498226 /nfs/dbraw/zinc/49/82/26/557498226.db2.gz LSCAMGXDVHSSAS-DEOSSOPVSA-N 0 0 440.653 5.260 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 ZINC000223656278 557498233 /nfs/dbraw/zinc/49/82/33/557498233.db2.gz STAAWZFYDJVTBF-QHCPKHFHSA-N 0 0 426.626 5.119 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223656365 557498277 /nfs/dbraw/zinc/49/82/77/557498277.db2.gz VRDXLYCGIBJZMH-JOCHJYFZSA-N 0 0 447.044 5.464 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000223657673 557498547 /nfs/dbraw/zinc/49/85/47/557498547.db2.gz MBMKBTUQAQNETI-QHCPKHFHSA-N 0 0 426.626 5.201 40 0 IKABRN CC(C)(C)c1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000223661800 557499008 /nfs/dbraw/zinc/49/90/08/557499008.db2.gz QDEWVPCJJXODDL-UHFFFAOYSA-N 0 0 446.994 5.184 40 0 IKABRN CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(Br)c(Cl)c3)ccc2O1 ZINC000223663487 557499208 /nfs/dbraw/zinc/49/92/08/557499208.db2.gz UFYKKSYHKMOZNO-UHFFFAOYSA-N 0 0 430.751 5.007 40 0 IKABRN CC(C)(C)c1ccccc1OCCNC(=O)CSCc1ccc(Br)cc1 ZINC000223670590 557500045 /nfs/dbraw/zinc/50/00/45/557500045.db2.gz MZAMLKYMISFKNN-UHFFFAOYSA-N 0 0 436.415 5.175 40 0 IKABRN CCc1cc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1OC ZINC000223681786 557501544 /nfs/dbraw/zinc/50/15/44/557501544.db2.gz BZTGMXMWQCNHBS-UHFFFAOYSA-N 0 0 425.594 5.526 40 0 IKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000019631987 557501993 /nfs/dbraw/zinc/50/19/93/557501993.db2.gz WDJJMMBJNSUVID-MDWZMJQESA-N 0 0 440.543 6.896 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(Cl)cc1 ZINC000223685475 557502052 /nfs/dbraw/zinc/50/20/52/557502052.db2.gz VESYXTWBHDWMRJ-HNNXBMFYSA-N 0 0 439.408 5.029 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000019633166 557502333 /nfs/dbraw/zinc/50/23/33/557502333.db2.gz AVPRBGAYTCKNFQ-UHFFFAOYSA-N 0 0 441.270 5.055 40 0 IKABRN COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1N1C(=O)c2ccccc2C1=O ZINC000019633153 557502386 /nfs/dbraw/zinc/50/23/86/557502386.db2.gz AAKNIXQDBABKQA-UHFFFAOYSA-N 0 0 441.270 5.055 40 0 IKABRN CCc1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000019632877 557502413 /nfs/dbraw/zinc/50/24/13/557502413.db2.gz AXUQMRWGIBAEBU-DHZHZOJOSA-N 0 0 440.952 5.703 40 0 IKABRN O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc(F)c1 ZINC000019635032 557502485 /nfs/dbraw/zinc/50/24/85/557502485.db2.gz UGGAUSHBLWZDHK-UHFFFAOYSA-N 0 0 441.940 5.883 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 ZINC000223691190 557502585 /nfs/dbraw/zinc/50/25/85/557502585.db2.gz KZXJQBUCAPNBLN-XMMPIXPASA-N 0 0 440.653 5.342 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000019635266 557502559 /nfs/dbraw/zinc/50/25/59/557502559.db2.gz QCWFRGUMAYFHDL-WEVVVXLNSA-N 0 0 442.125 7.317 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)c1 ZINC000019636330 557502756 /nfs/dbraw/zinc/50/27/56/557502756.db2.gz HPQMXENOWQDORY-UHFFFAOYSA-N 0 0 442.540 5.512 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(C)c2)cc1 ZINC000019635417 557502791 /nfs/dbraw/zinc/50/27/91/557502791.db2.gz IONGVWPIQCFVEZ-UHFFFAOYSA-N 0 0 442.342 6.326 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Br ZINC000019635456 557502799 /nfs/dbraw/zinc/50/27/99/557502799.db2.gz JJIKEPROELTOFQ-UHFFFAOYSA-N 0 0 442.357 5.041 40 0 IKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1 ZINC000019636538 557502837 /nfs/dbraw/zinc/50/28/37/557502837.db2.gz XJQRYNGDQUQILL-RBUKOAKNSA-N 0 0 442.559 7.438 40 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438.637 5.013 40 0 IKABRN CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000223793621 557514418 /nfs/dbraw/zinc/51/44/18/557514418.db2.gz XVVNSDASXNMTPC-UHFFFAOYSA-N 0 0 449.422 5.524 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000223796877 557514589 /nfs/dbraw/zinc/51/45/89/557514589.db2.gz OSPXNDVYZVMIQC-JOCHJYFZSA-N 0 0 447.044 5.546 40 0 IKABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1C ZINC000223799322 557514675 /nfs/dbraw/zinc/51/46/75/557514675.db2.gz ZBWFBFCNAGHVDY-UHFFFAOYSA-N 0 0 439.577 5.050 40 0 IKABRN c1csc(CN(Cc2ccccc2)[C@H](c2cccs2)c2nnnn2C2CCCC2)c1 ZINC000020098748 557515227 /nfs/dbraw/zinc/51/52/27/557515227.db2.gz YIQKXVVJKRXCDK-JOCHJYFZSA-N 0 0 435.622 5.703 40 0 IKABRN Cc1cccc(CN(C(=O)COc2cccc3ccccc32)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223805613 557515229 /nfs/dbraw/zinc/51/52/29/557515229.db2.gz OQMMRHOUUQJJRF-OAQYLSRUSA-N 0 0 444.575 5.003 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 ZINC000223806509 557515456 /nfs/dbraw/zinc/51/54/56/557515456.db2.gz KKNMIOUVMZDQOU-HSZRJFAPSA-N 0 0 445.003 5.223 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223806453 557515478 /nfs/dbraw/zinc/51/54/78/557515478.db2.gz XPPNGKJQPRKNSS-HSZRJFAPSA-N 0 0 445.003 5.059 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223806781 557515494 /nfs/dbraw/zinc/51/54/94/557515494.db2.gz ZZSGGSUDJAHTFP-HSZRJFAPSA-N 0 0 429.004 5.223 40 0 IKABRN Cc1cccc(CSCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223806913 557515501 /nfs/dbraw/zinc/51/55/01/557515501.db2.gz DYKQIFQAPHVQPL-OAQYLSRUSA-N 0 0 438.637 5.013 40 0 IKABRN Cc1cccc(CN(C(=O)CCc2cccc3ccccc32)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223806791 557515510 /nfs/dbraw/zinc/51/55/10/557515510.db2.gz NCKZJZLPWMEWCN-JOCHJYFZSA-N 0 0 442.603 5.557 40 0 IKABRN Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223807372 557515722 /nfs/dbraw/zinc/51/57/22/557515722.db2.gz UMGMPYNUVUJMIN-KRWDZBQOSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807885 557515756 /nfs/dbraw/zinc/51/57/56/557515756.db2.gz RMDHUHJUFFPZLT-OAQYLSRUSA-N 0 0 438.637 5.013 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C ZINC000223809477 557515927 /nfs/dbraw/zinc/51/59/27/557515927.db2.gz FFGWIHJUEGKYHV-QHCPKHFHSA-N 0 0 444.616 5.091 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C ZINC000223808924 557515965 /nfs/dbraw/zinc/51/59/65/557515965.db2.gz TZJGAEPKBYYABK-JOCHJYFZSA-N 0 0 445.003 5.059 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C ZINC000223809469 557516023 /nfs/dbraw/zinc/51/60/23/557516023.db2.gz FFGWIHJUEGKYHV-HSZRJFAPSA-N 0 0 444.616 5.091 40 0 IKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811463 557516298 /nfs/dbraw/zinc/51/62/98/557516298.db2.gz OCTCKKDKMSHAPY-QFIPXVFZSA-N 0 0 448.651 5.701 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814256 557516524 /nfs/dbraw/zinc/51/65/24/557516524.db2.gz URPFBJIIZZBTDR-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1ccc(CN(C(=O)CSCc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813787 557516528 /nfs/dbraw/zinc/51/65/28/557516528.db2.gz OTSSJKYXWXTSJM-OAQYLSRUSA-N 0 0 438.637 5.013 40 0 IKABRN Cc1ccc(CN(C(=O)CSCc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813774 557516552 /nfs/dbraw/zinc/51/65/52/557516552.db2.gz OTSSJKYXWXTSJM-NRFANRHFSA-N 0 0 438.637 5.013 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814232 557516561 /nfs/dbraw/zinc/51/65/61/557516561.db2.gz BIRSBAGJRDBHHR-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223817458 557516972 /nfs/dbraw/zinc/51/69/72/557516972.db2.gz XEONFUPKWRTFJI-HSZRJFAPSA-N 0 0 444.616 5.091 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223816502 557516978 /nfs/dbraw/zinc/51/69/78/557516978.db2.gz FHPVIBCGLJYHSY-VWLOTQADSA-N 0 0 440.603 5.605 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 ZINC000223815839 557516991 /nfs/dbraw/zinc/51/69/91/557516991.db2.gz FNFNTTDIRCQROR-HSZRJFAPSA-N 0 0 444.616 5.173 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223816474 557516996 /nfs/dbraw/zinc/51/69/96/557516996.db2.gz VVHXGSKYIWDVIS-DEOSSOPVSA-N 0 0 426.576 5.044 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223819365 557517205 /nfs/dbraw/zinc/51/72/05/557517205.db2.gz CYDHEIKESSAAPZ-INIZCTEOSA-N 0 0 433.379 5.012 40 0 IKABRN COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O ZINC000036614595 557517271 /nfs/dbraw/zinc/51/72/71/557517271.db2.gz HORBLPIYENOYJM-WMIVCRMASA-N 0 0 449.591 5.432 40 0 IKABRN COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O ZINC000036614594 557517320 /nfs/dbraw/zinc/51/73/20/557517320.db2.gz HORBLPIYENOYJM-ZQAXFKLCSA-N 0 0 449.591 5.432 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020234953 557518271 /nfs/dbraw/zinc/51/82/71/557518271.db2.gz LUEAKBNHWAIRCJ-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 ZINC000223831219 557518411 /nfs/dbraw/zinc/51/84/11/557518411.db2.gz VQMBVLHTYBUMQL-GOSISDBHSA-N 0 0 445.028 5.049 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 ZINC000223831150 557518414 /nfs/dbraw/zinc/51/84/14/557518414.db2.gz VQMBVLHTYBUMQL-SFHVURJKSA-N 0 0 445.028 5.049 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 ZINC000223835993 557518822 /nfs/dbraw/zinc/51/88/22/557518822.db2.gz XWTDPXWSQXLWJC-OAHLLOKOSA-N 0 0 439.408 5.029 40 0 IKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223835105 557518924 /nfs/dbraw/zinc/51/89/24/557518924.db2.gz BTOQBGPEXYQKSX-IBGZPJMESA-N 0 0 429.004 5.340 40 0 IKABRN Cc1cc(NC(=O)CSCc2ccccc2Br)ccc1Br ZINC000020238229 557518969 /nfs/dbraw/zinc/51/89/69/557518969.db2.gz QVYCMKXKFKHZIH-UHFFFAOYSA-N 0 0 429.177 5.392 40 0 IKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000020239002 557519184 /nfs/dbraw/zinc/51/91/84/557519184.db2.gz QRAGEYVSEUBNSH-UHFFFAOYSA-N 0 0 439.580 6.951 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000020233677 557519248 /nfs/dbraw/zinc/51/92/48/557519248.db2.gz CLTGSSORPNFRSS-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1cccc2ccccc21 ZINC000223839111 557519293 /nfs/dbraw/zinc/51/92/93/557519293.db2.gz AKRONMLOTYLZSF-IBGZPJMESA-N 0 0 436.983 5.369 40 0 IKABRN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000223839708 557519338 /nfs/dbraw/zinc/51/93/38/557519338.db2.gz CVVHHZLEWBWZGZ-INIZCTEOSA-N 0 0 425.912 5.427 40 0 IKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223842190 557519565 /nfs/dbraw/zinc/51/95/65/557519565.db2.gz DZLUAPZKRGPFHH-AWEZNQCLSA-N 0 0 441.786 5.133 40 0 IKABRN O=C(Nc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)c1ccco1 ZINC000020410988 557519824 /nfs/dbraw/zinc/51/98/24/557519824.db2.gz MZPNEYHOKMNZDH-UHFFFAOYSA-N 0 0 442.294 5.156 40 0 IKABRN CC(C)COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020411292 557520057 /nfs/dbraw/zinc/52/00/57/557520057.db2.gz VCFCREXNWOAVDA-UHFFFAOYSA-N 0 0 428.532 6.905 40 0 IKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3cc4ccccc4cc3OC)sc2c1 ZINC000020411486 557520299 /nfs/dbraw/zinc/52/02/99/557520299.db2.gz BZMKVWCNBZOGTO-UHFFFAOYSA-N 0 0 434.517 5.667 40 0 IKABRN Cc1cc(C)c(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c(Cl)c1 ZINC000020411332 557520315 /nfs/dbraw/zinc/52/03/15/557520315.db2.gz FHAJEWMNUDWAGM-UHFFFAOYSA-N 0 0 448.950 6.906 40 0 IKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000020411426 557520352 /nfs/dbraw/zinc/52/03/52/557520352.db2.gz SQQPOVHDDJBMSI-UHFFFAOYSA-N 0 0 430.529 6.173 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1Cl ZINC000020411744 557520503 /nfs/dbraw/zinc/52/05/03/557520503.db2.gz AMHFYXIZQGEYJQ-UHFFFAOYSA-N 0 0 439.320 5.429 40 0 IKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1Cl ZINC000020411939 557520513 /nfs/dbraw/zinc/52/05/13/557520513.db2.gz FSMLBLUZKWWBON-UHFFFAOYSA-N 0 0 438.867 5.426 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223848706 557520522 /nfs/dbraw/zinc/52/05/22/557520522.db2.gz SILCAQFWSFVNHM-VGOFRKELSA-N 0 0 449.422 5.648 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccco1 ZINC000223849132 557520580 /nfs/dbraw/zinc/52/05/80/557520580.db2.gz IGYPMHGMHNEBBS-ZEQRLZLVSA-N 0 0 444.560 5.024 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 ZINC000020411951 557520561 /nfs/dbraw/zinc/52/05/61/557520561.db2.gz UBIKOPCYILPNHH-UHFFFAOYSA-N 0 0 446.503 5.943 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4C)ccc3o2)cc1OC ZINC000020412036 557520564 /nfs/dbraw/zinc/52/05/64/557520564.db2.gz OVTZBPHPXONMOE-UHFFFAOYSA-N 0 0 432.476 5.146 40 0 IKABRN COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 ZINC000020412002 557520578 /nfs/dbraw/zinc/52/05/78/557520578.db2.gz GROKNDAXXVRQSF-AWNIVKPZSA-N 0 0 430.460 5.173 40 0 IKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)c1 ZINC000020412017 557520596 /nfs/dbraw/zinc/52/05/96/557520596.db2.gz TYCZLZNOLLWZPA-INIZCTEOSA-N 0 0 446.503 5.942 40 0 IKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020412183 557520771 /nfs/dbraw/zinc/52/07/71/557520771.db2.gz RPNVBXVZKNLDFF-UHFFFAOYSA-N 0 0 441.886 6.481 40 0 IKABRN Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223850223 557520812 /nfs/dbraw/zinc/52/08/12/557520812.db2.gz OWDWABFMVXRGTG-DNQXCXABSA-N 0 0 426.545 5.063 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)cc1 ZINC000020412345 557520795 /nfs/dbraw/zinc/52/07/95/557520795.db2.gz GRGCRVTXQKYCOQ-UHFFFAOYSA-N 0 0 428.576 7.163 40 0 IKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223849840 557520833 /nfs/dbraw/zinc/52/08/33/557520833.db2.gz VHILDPHJSNQNPK-XZOQPEGZSA-N 0 0 446.963 5.408 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCCC1 ZINC000223854245 557521222 /nfs/dbraw/zinc/52/12/22/557521222.db2.gz MEQJGGIGYYZUGV-RPBOFIJWSA-N 0 0 446.620 5.888 40 0 IKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000223856790 557521646 /nfs/dbraw/zinc/52/16/46/557521646.db2.gz SKEZADBJWZLDKA-UHFFFAOYSA-N 0 0 436.895 5.520 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000223860984 557521839 /nfs/dbraw/zinc/52/18/39/557521839.db2.gz VWRAGSOMFUYJPW-KRWDZBQOSA-N 0 0 447.406 5.402 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccccc2)c1 ZINC000002684603 557521865 /nfs/dbraw/zinc/52/18/65/557521865.db2.gz DEOXZMGABYPIOM-UHFFFAOYSA-N 0 0 442.588 5.899 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223865303 557522344 /nfs/dbraw/zinc/52/23/44/557522344.db2.gz MYQYPBGJVCUZGW-MRXNPFEDSA-N 0 0 433.379 5.012 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223867644 557522793 /nfs/dbraw/zinc/52/27/93/557522793.db2.gz ZARPZJUBVGQQNF-INIZCTEOSA-N 0 0 448.991 5.047 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223867706 557522809 /nfs/dbraw/zinc/52/28/09/557522809.db2.gz ZARPZJUBVGQQNF-MRXNPFEDSA-N 0 0 448.991 5.047 40 0 IKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000223872443 557523730 /nfs/dbraw/zinc/52/37/30/557523730.db2.gz SBALEFZNZKORSW-DHIUTWEWSA-N 0 0 431.492 5.363 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccccc1 ZINC000223879944 557524899 /nfs/dbraw/zinc/52/48/99/557524899.db2.gz PSDOHFUPCKWKIZ-OAHLLOKOSA-N 0 0 439.408 5.029 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000223891308 557525762 /nfs/dbraw/zinc/52/57/62/557525762.db2.gz GWESBEIUYWOLMK-BJKOFHAPSA-N 0 0 431.609 5.241 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000223891419 557525925 /nfs/dbraw/zinc/52/59/25/557525925.db2.gz LQHXAJLBFVGIOF-QFIPXVFZSA-N 0 0 449.422 5.568 40 0 IKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223895572 557526361 /nfs/dbraw/zinc/52/63/61/557526361.db2.gz OHWAMAPPYPRBCX-HXUWFJFHSA-N 0 0 438.587 5.358 40 0 IKABRN Cc1cccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C ZINC000223899139 557526560 /nfs/dbraw/zinc/52/65/60/557526560.db2.gz ODHAKJLUZBPDMM-UHFFFAOYSA-N 0 0 425.981 6.058 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000223902826 557527025 /nfs/dbraw/zinc/52/70/25/557527025.db2.gz KCMQNFWEVAVIAL-JOCHJYFZSA-N 0 0 449.422 5.650 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000223904612 557527248 /nfs/dbraw/zinc/52/72/48/557527248.db2.gz RGEONJKIYUGPHT-RPBOFIJWSA-N 0 0 439.588 5.115 40 0 IKABRN Cc1c(Cl)cnc(NC(=S)NCc2ccc(-c3ccccc3)o2)c1Br ZINC000223909409 557527628 /nfs/dbraw/zinc/52/76/28/557527628.db2.gz RJXLNWOEGCAONT-UHFFFAOYSA-N 0 0 436.762 5.553 40 0 IKABRN Cc1c(Br)cnc(NC(=S)NCc2ccc(-c3ccccc3)o2)c1Cl ZINC000223909457 557527682 /nfs/dbraw/zinc/52/76/82/557527682.db2.gz YAONCFUTVDIRCW-UHFFFAOYSA-N 0 0 436.762 5.553 40 0 IKABRN Cc1nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)ccc1Br ZINC000223913813 557528089 /nfs/dbraw/zinc/52/80/89/557528089.db2.gz OVPJBNBWJNZNAF-UHFFFAOYSA-N 0 0 436.762 5.553 40 0 IKABRN Cc1cc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)ncc1Br ZINC000223914600 557528090 /nfs/dbraw/zinc/52/80/90/557528090.db2.gz CLXWYZKATMVUJB-UHFFFAOYSA-N 0 0 436.762 5.553 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223913319 557528097 /nfs/dbraw/zinc/52/80/97/557528097.db2.gz BDYHVAZCVRVSPC-MRXNPFEDSA-N 0 0 435.395 5.042 40 0 IKABRN Cc1nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl ZINC000223913406 557528134 /nfs/dbraw/zinc/52/81/34/557528134.db2.gz FIKFVRRHTQFQIF-UHFFFAOYSA-N 0 0 426.756 6.097 40 0 IKABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCCCC2)nc1 ZINC000223917020 557528479 /nfs/dbraw/zinc/52/84/79/557528479.db2.gz KVDNTXQVRHJIIX-UHFFFAOYSA-N 0 0 441.000 5.862 40 0 IKABRN O=C(Nc1ccccc1-c1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223922488 557529248 /nfs/dbraw/zinc/52/92/48/557529248.db2.gz HGHSNECGKBZDLP-UHFFFAOYSA-N 0 0 428.513 5.407 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223926435 557529726 /nfs/dbraw/zinc/52/97/26/557529726.db2.gz VGKAWPBHGHBYTF-UHFFFAOYSA-N 0 0 442.540 5.007 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223944778 557532260 /nfs/dbraw/zinc/53/22/60/557532260.db2.gz AYPGJTSCXKCVOU-QFIPXVFZSA-N 0 0 449.422 5.568 40 0 IKABRN CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000223945693 557532512 /nfs/dbraw/zinc/53/25/12/557532512.db2.gz FQAGALLFDOZWQU-FQEVSTJZSA-N 0 0 430.614 5.359 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2)c1 ZINC000223949061 557533052 /nfs/dbraw/zinc/53/30/52/557533052.db2.gz QZJFKEKGPSEZLY-UHFFFAOYSA-N 0 0 442.540 5.715 40 0 IKABRN CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000223952253 557533472 /nfs/dbraw/zinc/53/34/72/557533472.db2.gz OZOSNJVPBMRAGE-FQEVSTJZSA-N 0 0 430.614 5.359 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000223954148 557533846 /nfs/dbraw/zinc/53/38/46/557533846.db2.gz YTYWHXLYQLUGQC-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000223954824 557534009 /nfs/dbraw/zinc/53/40/09/557534009.db2.gz CEHXHGYHEHSFEB-SANMLTNESA-N 0 0 431.601 6.654 40 0 IKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000223954762 557534073 /nfs/dbraw/zinc/53/40/73/557534073.db2.gz CEHXHGYHEHSFEB-AREMUKBSSA-N 0 0 431.601 6.654 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223957784 557534338 /nfs/dbraw/zinc/53/43/38/557534338.db2.gz OZUPJPKUISGBLE-KRWDZBQOSA-N 0 0 449.422 5.603 40 0 IKABRN CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223960304 557534800 /nfs/dbraw/zinc/53/48/00/557534800.db2.gz NOFKITJUDFEZCI-KKSFZXQISA-N 0 0 435.395 5.258 40 0 IKABRN CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1 ZINC000223962473 557535027 /nfs/dbraw/zinc/53/50/27/557535027.db2.gz KWVSQMMDQUXWDD-HSZRJFAPSA-N 0 0 440.540 5.144 40 0 IKABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(C)cc1C ZINC000223964179 557535310 /nfs/dbraw/zinc/53/53/10/557535310.db2.gz WKZUPMZURHFBKQ-QFIPXVFZSA-N 0 0 440.540 5.124 40 0 IKABRN Fc1ccc(CCCNC(=S)Nc2ccc(Sc3ccc(Cl)cc3)nc2)cc1 ZINC000223969747 557536366 /nfs/dbraw/zinc/53/63/66/557536366.db2.gz GVSRUYSDUMGBMJ-UHFFFAOYSA-N 0 0 431.989 5.945 40 0 IKABRN Cc1ccccc1[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(C)C ZINC000223969952 557536410 /nfs/dbraw/zinc/53/64/10/557536410.db2.gz WBBLIDPOJUUPFC-QHCPKHFHSA-N 0 0 440.540 5.062 40 0 IKABRN Cc1nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)ccc1Br ZINC000223976327 557537491 /nfs/dbraw/zinc/53/74/91/557537491.db2.gz ADZKUBPKJMDDLV-UHFFFAOYSA-N 0 0 438.822 5.604 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223976275 557537554 /nfs/dbraw/zinc/53/75/54/557537554.db2.gz REUGHMDOHKWCSS-UHFFFAOYSA-N 0 0 442.968 5.825 40 0 IKABRN Cc1cc(Br)cnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000223977343 557537794 /nfs/dbraw/zinc/53/77/94/557537794.db2.gz PDCIZMFBKAXWAE-UHFFFAOYSA-N 0 0 438.822 5.604 40 0 IKABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000223978074 557538136 /nfs/dbraw/zinc/53/81/36/557538136.db2.gz XUKLBAVCILFITR-NRFANRHFSA-N 0 0 428.941 5.022 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223977940 557538142 /nfs/dbraw/zinc/53/81/42/557538142.db2.gz BYZSVIJVABSIRM-INIZCTEOSA-N 0 0 433.379 5.012 40 0 IKABRN CC(C)Oc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000223978530 557538348 /nfs/dbraw/zinc/53/83/48/557538348.db2.gz SHMZNTSZIVXFOX-UHFFFAOYSA-N 0 0 444.940 5.180 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000223979416 557538383 /nfs/dbraw/zinc/53/83/83/557538383.db2.gz XLZCMUOYTKWGBG-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cn1 ZINC000223983701 557539140 /nfs/dbraw/zinc/53/91/40/557539140.db2.gz DUTOZNRXIONPDG-SFHVURJKSA-N 0 0 426.605 5.398 40 0 IKABRN CCCSc1nnc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 ZINC000223984067 557539170 /nfs/dbraw/zinc/53/91/70/557539170.db2.gz CIUGUUQUAIFXLR-UHFFFAOYSA-N 0 0 436.027 6.238 40 0 IKABRN C[C@@H]1C[C@H](C)CN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)C1 ZINC000223983838 557539192 /nfs/dbraw/zinc/53/91/92/557539192.db2.gz GXZGVVKSYYVIMS-KDURUIRLSA-N 0 0 440.632 5.501 40 0 IKABRN Cc1nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)ccc1Br ZINC000223986233 557539451 /nfs/dbraw/zinc/53/94/51/557539451.db2.gz VTQCNAGALGXSOZ-UHFFFAOYSA-N 0 0 438.822 5.604 40 0 IKABRN Cc1cnc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)c(Br)c1 ZINC000223986480 557539680 /nfs/dbraw/zinc/53/96/80/557539680.db2.gz GUHHNWHONCPLHX-UHFFFAOYSA-N 0 0 438.822 5.604 40 0 IKABRN S=C(NCC1(c2ccccc2)CCCCC1)Nc1ncc(Cl)cc1Br ZINC000223990200 557540465 /nfs/dbraw/zinc/54/04/65/557540465.db2.gz FUBAZHPVHSMXPC-UHFFFAOYSA-N 0 0 438.822 5.686 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000223992852 557540850 /nfs/dbraw/zinc/54/08/50/557540850.db2.gz AVHJBPIJSCEZHF-UHFFFAOYSA-N 0 0 426.563 5.078 40 0 IKABRN CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223993002 557540931 /nfs/dbraw/zinc/54/09/31/557540931.db2.gz YWHUDVZALFNMJO-UHFFFAOYSA-N 0 0 426.563 5.024 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC)cc2)cc1 ZINC000223996799 557541350 /nfs/dbraw/zinc/54/13/50/557541350.db2.gz JNWMZUKYEHWFEL-UHFFFAOYSA-N 0 0 444.603 5.184 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000223995322 557541380 /nfs/dbraw/zinc/54/13/80/557541380.db2.gz JHUUWKUDHSEHPD-UHFFFAOYSA-N 0 0 446.981 5.423 40 0 IKABRN S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ccc(Br)cn1 ZINC000224000420 557542070 /nfs/dbraw/zinc/54/20/70/557542070.db2.gz FOIATLYTCSLCHW-UHFFFAOYSA-N 0 0 438.822 5.686 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCCCCC3)cc2C)cc1 ZINC000224000791 557542177 /nfs/dbraw/zinc/54/21/77/557542177.db2.gz IXOIQHCEUNPVTE-UHFFFAOYSA-N 0 0 428.598 5.195 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccccc1C ZINC000224001185 557542211 /nfs/dbraw/zinc/54/22/11/557542211.db2.gz QXOOPZGDMHIRSD-HSZRJFAPSA-N 0 0 436.577 5.294 40 0 IKABRN S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ccc(N2CCCC2)nc1 ZINC000224002943 557542429 /nfs/dbraw/zinc/54/24/29/557542429.db2.gz IQYMFJAUGMTLJP-UHFFFAOYSA-N 0 0 429.033 5.524 40 0 IKABRN Cc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224004124 557542691 /nfs/dbraw/zinc/54/26/91/557542691.db2.gz VVLAWYRMXMUDLZ-UHFFFAOYSA-N 0 0 449.359 5.033 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224006439 557542857 /nfs/dbraw/zinc/54/28/57/557542857.db2.gz GQSFJTYTHMXGFG-UHFFFAOYSA-N 0 0 442.968 5.572 40 0 IKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000224006076 557542946 /nfs/dbraw/zinc/54/29/46/557542946.db2.gz DKQCHBDBDGGKTE-HHHXNRCGSA-N 0 0 442.603 5.094 40 0 IKABRN Cc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224007877 557543196 /nfs/dbraw/zinc/54/31/96/557543196.db2.gz ZCMFFZGNSQDDDR-HNNXBMFYSA-N 0 0 446.931 5.079 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1)c1ccccc1 ZINC000224008005 557543201 /nfs/dbraw/zinc/54/32/01/557543201.db2.gz MRPKZGBDOAPEAN-OAQYLSRUSA-N 0 0 442.968 5.330 40 0 IKABRN Cc1cc(C(=O)N2CCCc3ccccc32)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224007594 557543230 /nfs/dbraw/zinc/54/32/30/557543230.db2.gz KTUFWLGPKKKJBG-UHFFFAOYSA-N 0 0 440.952 5.042 40 0 IKABRN C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCCC3)cn2)C1 ZINC000224008117 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ZINC000224247295 557581086 /nfs/dbraw/zinc/58/10/86/557581086.db2.gz UWXFGHDFGKTLQA-RPWUZVMVSA-N 0 0 429.520 5.966 40 0 IKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1OC ZINC000224248369 557581088 /nfs/dbraw/zinc/58/10/88/557581088.db2.gz BPXHSTHNYDIYOO-INIZCTEOSA-N 0 0 425.912 5.427 40 0 IKABRN COc1cccc(OCc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC)c1 ZINC000224253649 557581447 /nfs/dbraw/zinc/58/14/47/557581447.db2.gz JJMXFMADPCCGLJ-UHFFFAOYSA-N 0 0 432.303 5.842 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c4c(cccc42)CC3)c(Br)c1 ZINC000224253802 557581470 /nfs/dbraw/zinc/58/14/70/557581470.db2.gz OIHSINQNIZBWES-UHFFFAOYSA-N 0 0 438.365 6.016 40 0 IKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1C ZINC000224256884 557581751 /nfs/dbraw/zinc/58/17/51/557581751.db2.gz VAXLMSJHKYVEBG-RTBURBONSA-N 0 0 444.423 5.700 40 0 IKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1C ZINC000224257019 557581782 /nfs/dbraw/zinc/58/17/82/557581782.db2.gz QXUGGBZOONSQHV-RBUKOAKNSA-N 0 0 444.423 5.700 40 0 IKABRN O=C(COc1ccc2ccccc2c1Br)Nc1ccc2c3c(cccc31)CC2 ZINC000224257478 557581946 /nfs/dbraw/zinc/58/19/46/557581946.db2.gz SLGZQHUAIRZAAV-UHFFFAOYSA-N 0 0 432.317 5.872 40 0 IKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1C ZINC000224257529 557581960 /nfs/dbraw/zinc/58/19/60/557581960.db2.gz KHIOKXBBEGKPAI-ZEQRLZLVSA-N 0 0 425.561 5.061 40 0 IKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1C ZINC000224257474 557581978 /nfs/dbraw/zinc/58/19/78/557581978.db2.gz OXXNFYVKNDYACM-DNQXCXABSA-N 0 0 425.561 5.061 40 0 IKABRN COc1cccc(OCc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)ccc2OC)c1 ZINC000224260779 557582147 /nfs/dbraw/zinc/58/21/47/557582147.db2.gz ALLWPTZWYSBXBE-MRXNPFEDSA-N 0 0 425.912 5.427 40 0 IKABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)n1-c1cccnc1 ZINC000224262811 557582341 /nfs/dbraw/zinc/58/23/41/557582341.db2.gz CSYDCAXSOHNUJG-JWQCQUIFSA-N 0 0 439.588 5.370 40 0 IKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1C ZINC000224263393 557582464 /nfs/dbraw/zinc/58/24/64/557582464.db2.gz PPCVSRDOZNBMOQ-RPWUZVMVSA-N 0 0 428.561 5.318 40 0 IKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1C ZINC000224263354 557582471 /nfs/dbraw/zinc/58/24/71/557582471.db2.gz PPCVSRDOZNBMOQ-ZEQRLZLVSA-N 0 0 428.561 5.318 40 0 IKABRN COc1ccc(OCc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2OC)cc1 ZINC000224265530 557582791 /nfs/dbraw/zinc/58/27/91/557582791.db2.gz XNJNWMPUVJZDNC-UHFFFAOYSA-N 0 0 432.303 5.842 40 0 IKABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000224269599 557583378 /nfs/dbraw/zinc/58/33/78/557583378.db2.gz UKRAHOCLNSJLFL-LJQANCHMSA-N 0 0 447.044 5.153 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224269941 557583579 /nfs/dbraw/zinc/58/35/79/557583579.db2.gz HPKPZIZOYRWDHU-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000224273742 557583837 /nfs/dbraw/zinc/58/38/37/557583837.db2.gz HFPYRDPOSSZLOT-QGZVFWFLSA-N 0 0 435.395 5.116 40 0 IKABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000224273802 557583936 /nfs/dbraw/zinc/58/39/36/557583936.db2.gz HFPYRDPOSSZLOT-KRWDZBQOSA-N 0 0 435.395 5.116 40 0 IKABRN CN(c1cccc(C(=O)NC2CCCCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224274074 557583940 /nfs/dbraw/zinc/58/39/40/557583940.db2.gz SOKUDVJTKFYZND-UHFFFAOYSA-N 0 0 434.989 5.008 40 0 IKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1C ZINC000224274828 557583973 /nfs/dbraw/zinc/58/39/73/557583973.db2.gz UZCPAFFLJGCEMQ-LOSJGSFVSA-N 0 0 430.621 6.182 40 0 IKABRN COc1ccc(CCNC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 ZINC000224275052 557584001 /nfs/dbraw/zinc/58/40/01/557584001.db2.gz HWZVHZJBLSXGSK-UHFFFAOYSA-N 0 0 433.548 5.181 40 0 IKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1C ZINC000224276195 557584207 /nfs/dbraw/zinc/58/42/07/557584207.db2.gz MHIBPIVBZXPPMU-DQEYMECFSA-N 0 0 442.563 5.805 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)cc1 ZINC000224275297 557584237 /nfs/dbraw/zinc/58/42/37/557584237.db2.gz FFEZBYPSXBESLR-CLJLJLNGSA-N 0 0 438.600 5.975 40 0 IKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1C ZINC000224277268 557584413 /nfs/dbraw/zinc/58/44/13/557584413.db2.gz RVNCZFMRRYEUAO-LOSJGSFVSA-N 0 0 440.572 5.372 40 0 IKABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C ZINC000224277002 557584435 /nfs/dbraw/zinc/58/44/35/557584435.db2.gz FBQGPXQABVHGGZ-IBGZPJMESA-N 0 0 445.003 5.032 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1cc(C)cc(C)c1C ZINC000224277817 557584641 /nfs/dbraw/zinc/58/46/41/557584641.db2.gz INRJIZVBXPODCS-UHFFFAOYSA-N 0 0 444.358 6.759 40 0 IKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1cc(C)cc(C)c1C ZINC000224279642 557584818 /nfs/dbraw/zinc/58/48/18/557584818.db2.gz CKLJSRHQMLYVHN-UHFFFAOYSA-N 0 0 439.939 6.114 40 0 IKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)c(OC)c1 ZINC000224279197 557584828 /nfs/dbraw/zinc/58/48/28/557584828.db2.gz DJKPMCAHAHZDHU-UHFFFAOYSA-N 0 0 435.520 5.469 40 0 IKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1C ZINC000224280309 557585178 /nfs/dbraw/zinc/58/51/78/557585178.db2.gz DHESPFPWKPMKGR-RPBOFIJWSA-N 0 0 443.547 6.275 40 0 IKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl ZINC000224281956 557585461 /nfs/dbraw/zinc/58/54/61/557585461.db2.gz FHLQBUPPJNVFMJ-HSZRJFAPSA-N 0 0 426.988 5.057 40 0 IKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1C ZINC000224283781 557585650 /nfs/dbraw/zinc/58/56/50/557585650.db2.gz CGPOLOICEHZZPV-NRFANRHFSA-N 0 0 431.576 5.951 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cc(C)cc(C)c1C ZINC000224283326 557585695 /nfs/dbraw/zinc/58/56/95/557585695.db2.gz YZDDYQRWPNWVET-UHFFFAOYSA-N 0 0 432.520 5.410 40 0 IKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1C ZINC000224284776 557585712 /nfs/dbraw/zinc/58/57/12/557585712.db2.gz FYVBNJYBZAHGNO-DQEYMECFSA-N 0 0 430.621 6.182 40 0 IKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1C ZINC000224284902 557585838 /nfs/dbraw/zinc/58/58/38/557585838.db2.gz FYVBNJYBZAHGNO-JWQCQUIFSA-N 0 0 430.621 6.182 40 0 IKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)c1 ZINC000224289605 557586059 /nfs/dbraw/zinc/58/60/59/557586059.db2.gz MAHGKKVSBMLYCW-RBUKOAKNSA-N 0 0 444.423 5.700 40 0 IKABRN COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccc(C)c(C)c1 ZINC000224289423 557586072 /nfs/dbraw/zinc/58/60/72/557586072.db2.gz XHJDZWCLLWWDAI-UHFFFAOYSA-N 0 0 440.337 5.906 40 0 IKABRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224289617 557586085 /nfs/dbraw/zinc/58/60/85/557586085.db2.gz KOOFBWBZKYRNJJ-UHFFFAOYSA-N 0 0 448.466 5.091 40 0 IKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccc(C)c(C)c1 ZINC000224290138 557586229 /nfs/dbraw/zinc/58/62/29/557586229.db2.gz RJUCEOVPXVLFTL-UHFFFAOYSA-N 0 0 430.331 6.450 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)nc1 ZINC000224292333 557586461 /nfs/dbraw/zinc/58/64/61/557586461.db2.gz WKCXPAVREQTNLL-LOSJGSFVSA-N 0 0 439.588 5.370 40 0 IKABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224294975 557586676 /nfs/dbraw/zinc/58/66/76/557586676.db2.gz LZDWYUNYDSVJGG-HSZRJFAPSA-N 0 0 443.031 5.514 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000224295991 557586846 /nfs/dbraw/zinc/58/68/46/557586846.db2.gz CFVUTNGJKPLUJG-UHFFFAOYSA-N 0 0 436.577 5.415 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224295823 557586899 /nfs/dbraw/zinc/58/68/99/557586899.db2.gz GVLFWWBLCDVLPT-UHFFFAOYSA-N 0 0 448.466 5.091 40 0 IKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cccc2ccccc21 ZINC000224301812 557587579 /nfs/dbraw/zinc/58/75/79/557587579.db2.gz ABLSVOMQNRIXCZ-UHFFFAOYSA-N 0 0 431.919 6.642 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cccc2ccccc21 ZINC000224301738 557587604 /nfs/dbraw/zinc/58/76/04/557587604.db2.gz QKNPWOYJCRBLNO-UHFFFAOYSA-N 0 0 431.919 6.642 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cccc2ccccc21 ZINC000224302578 557587771 /nfs/dbraw/zinc/58/77/71/557587771.db2.gz ULHAJLZSRMZEPP-UHFFFAOYSA-N 0 0 435.882 6.472 40 0 IKABRN CCOc1ccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc43)c2)cc1 ZINC000224303341 557587796 /nfs/dbraw/zinc/58/77/96/557587796.db2.gz VHMGSQFUGALZBK-UHFFFAOYSA-N 0 0 427.500 6.078 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224303443 557587804 /nfs/dbraw/zinc/58/78/04/557587804.db2.gz POKNTTWKVHQKMT-QHCPKHFHSA-N 0 0 429.004 5.340 40 0 IKABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cccc2ccccc21 ZINC000224303864 557588036 /nfs/dbraw/zinc/58/80/36/557588036.db2.gz BPBRPGSKUZMYEV-UHFFFAOYSA-N 0 0 441.483 5.451 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cccc2ccccc21 ZINC000224304162 557588042 /nfs/dbraw/zinc/58/80/42/557588042.db2.gz GEAVEZHXXGSDQD-UHFFFAOYSA-N 0 0 429.541 6.402 40 0 IKABRN COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2cccc3ccccc32)c1 ZINC000224304235 557588056 /nfs/dbraw/zinc/58/80/56/557588056.db2.gz HSRPTQLRAPMDGW-UHFFFAOYSA-N 0 0 441.483 5.466 40 0 IKABRN CC[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224304440 557588070 /nfs/dbraw/zinc/58/80/70/557588070.db2.gz VZIXDLDAJMSTAC-OAQYLSRUSA-N 0 0 436.533 5.078 40 0 IKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cccc2ccccc21 ZINC000224308862 557588773 /nfs/dbraw/zinc/58/87/73/557588773.db2.gz BEDHPQAAXQJPIC-GOSISDBHSA-N 0 0 429.491 6.058 40 0 IKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)c1 ZINC000224309933 557588960 /nfs/dbraw/zinc/58/89/60/557588960.db2.gz KKOXVOQBJJUYAL-RPBOFIJWSA-N 0 0 430.621 6.182 40 0 IKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c1 ZINC000224310324 557588969 /nfs/dbraw/zinc/58/89/69/557588969.db2.gz LSZZPSADRDLSKF-FTJBHMTQSA-N 0 0 438.600 5.975 40 0 IKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)c1 ZINC000224310362 557588977 /nfs/dbraw/zinc/58/89/77/557588977.db2.gz LSZZPSADRDLSKF-IZZNHLLZSA-N 0 0 438.600 5.975 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000224309976 557588978 /nfs/dbraw/zinc/58/89/78/557588978.db2.gz ZTBVIFTYTUITIL-IBGZPJMESA-N 0 0 441.786 5.133 40 0 IKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)c1 ZINC000224311330 557589132 /nfs/dbraw/zinc/58/91/32/557589132.db2.gz MDWGCGWUIJFIGG-LOSJGSFVSA-N 0 0 442.563 5.805 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)cc1 ZINC000224310531 557589167 /nfs/dbraw/zinc/58/91/67/557589167.db2.gz FVYLALOVYRUSIB-FTJBHMTQSA-N 0 0 438.600 5.975 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)cc1 ZINC000224310574 557589174 /nfs/dbraw/zinc/58/91/74/557589174.db2.gz FVYLALOVYRUSIB-IZZNHLLZSA-N 0 0 438.600 5.975 40 0 IKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)c1 ZINC000224311103 557589194 /nfs/dbraw/zinc/58/91/94/557589194.db2.gz PRZSSRNTTSRVJX-RPBOFIJWSA-N 0 0 442.563 5.805 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1 ZINC000224311673 557589402 /nfs/dbraw/zinc/58/94/02/557589402.db2.gz WQHZWTNHQAVIOC-HSZRJFAPSA-N 0 0 436.577 5.010 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 ZINC000224311529 557589434 /nfs/dbraw/zinc/58/94/34/557589434.db2.gz WQQGMBAJPZJWKT-UHFFFAOYSA-N 0 0 425.528 6.551 40 0 IKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)c1 ZINC000224311374 557589439 /nfs/dbraw/zinc/58/94/39/557589439.db2.gz MDWGCGWUIJFIGG-JWQCQUIFSA-N 0 0 442.563 5.805 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000224312195 557589480 /nfs/dbraw/zinc/58/94/80/557589480.db2.gz CBUCHFNFOFXIJW-QFIPXVFZSA-N 0 0 447.044 5.134 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc2ccccc2c1 ZINC000224312847 557589517 /nfs/dbraw/zinc/58/95/17/557589517.db2.gz DJNPDIWDMJYLIY-UHFFFAOYSA-N 0 0 431.919 6.642 40 0 IKABRN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1COc1ccc2ccccc2c1 ZINC000224311993 557589558 /nfs/dbraw/zinc/58/95/58/557589558.db2.gz FOBXSZWOIYAGPV-UHFFFAOYSA-N 0 0 433.507 6.833 40 0 IKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc2ccccc2c1 ZINC000224313020 557589761 /nfs/dbraw/zinc/58/97/61/557589761.db2.gz RYTWMWSDLXWHPM-UHFFFAOYSA-N 0 0 431.919 6.642 40 0 IKABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000224313156 557589764 /nfs/dbraw/zinc/58/97/64/557589764.db2.gz JXCFAFHQAUXWFT-OAQYLSRUSA-N 0 0 433.017 5.074 40 0 IKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000224315065 557590169 /nfs/dbraw/zinc/59/01/69/557590169.db2.gz RKENHPSTBNWKDL-RPBOFIJWSA-N 0 0 443.547 6.275 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224315315 557590216 /nfs/dbraw/zinc/59/02/16/557590216.db2.gz PPMJOPRWEMTHRF-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN Cc1cccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224315241 557590234 /nfs/dbraw/zinc/59/02/34/557590234.db2.gz JIJOGSXVLUPJGH-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN Cc1ccc(C)c(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224315484 557590430 /nfs/dbraw/zinc/59/04/30/557590430.db2.gz MWVDXZONFVQSNH-UHFFFAOYSA-N 0 0 442.968 5.343 40 0 IKABRN Cc1cc(C)cc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224315647 557590466 /nfs/dbraw/zinc/59/04/66/557590466.db2.gz OJEQAZISWUHJHU-UHFFFAOYSA-N 0 0 442.968 5.343 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1C ZINC000224315731 557590497 /nfs/dbraw/zinc/59/04/97/557590497.db2.gz LFZILQCSHCVCEM-UHFFFAOYSA-N 0 0 442.968 5.343 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc2ccccc2c1 ZINC000224315923 557590503 /nfs/dbraw/zinc/59/05/03/557590503.db2.gz RRQGBHSQGQXGQO-UHFFFAOYSA-N 0 0 425.484 5.882 40 0 IKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)c1 ZINC000224319766 557590837 /nfs/dbraw/zinc/59/08/37/557590837.db2.gz JNZCQFWGFOUZSN-DQEYMECFSA-N 0 0 430.621 6.182 40 0 IKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000224325032 557591939 /nfs/dbraw/zinc/59/19/39/557591939.db2.gz SNWNVKRORIGUAW-XMMPIXPASA-N 0 0 441.015 5.366 40 0 IKABRN COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1CSc1ccccc1 ZINC000224329184 557592431 /nfs/dbraw/zinc/59/24/31/557592431.db2.gz NPSULHBKNUKQSO-UHFFFAOYSA-N 0 0 436.552 5.089 40 0 IKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000224329770 557592484 /nfs/dbraw/zinc/59/24/84/557592484.db2.gz CKKASHGYXNBPKX-FTJBHMTQSA-N 0 0 438.600 5.920 40 0 IKABRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000224329979 557592661 /nfs/dbraw/zinc/59/26/61/557592661.db2.gz HLOOCTRQOHPAPM-UHFFFAOYSA-N 0 0 433.555 5.878 40 0 IKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1 ZINC000224330759 557592687 /nfs/dbraw/zinc/59/26/87/557592687.db2.gz MVBJJFJKIUIRJM-LOSJGSFVSA-N 0 0 439.588 5.315 40 0 IKABRN CC(C)CSc1nnc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)s1 ZINC000224332225 557592843 /nfs/dbraw/zinc/59/28/43/557592843.db2.gz BJKNUMBOCSNHNP-SFQUDFHCSA-N 0 0 429.998 6.119 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224336462 557593169 /nfs/dbraw/zinc/59/31/69/557593169.db2.gz LLIZYUPMIPPAML-SFHVURJKSA-N 0 0 449.422 5.424 40 0 IKABRN CSc1ccccc1NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224334775 557593184 /nfs/dbraw/zinc/59/31/84/557593184.db2.gz HWEQJWNQVVTMPB-UHFFFAOYSA-N 0 0 446.981 5.139 40 0 IKABRN CC[C@@H](NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000224336426 557593188 /nfs/dbraw/zinc/59/31/88/557593188.db2.gz GIWDFYUDBMQRPM-JOCHJYFZSA-N 0 0 442.968 5.046 40 0 IKABRN CN(c1ccc(Cl)c(C(=O)NC2CCCCCCC2)c1)S(=O)(=O)c1ccccc1 ZINC000224336612 557593469 /nfs/dbraw/zinc/59/34/69/557593469.db2.gz OPAPQJGERZKWRG-UHFFFAOYSA-N 0 0 434.989 5.008 40 0 IKABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224337179 557593520 /nfs/dbraw/zinc/59/35/20/557593520.db2.gz WOAYFYZVQVDHMS-HSZRJFAPSA-N 0 0 443.031 5.514 40 0 IKABRN COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1CSc1ccc(C)cc1 ZINC000224337792 557593523 /nfs/dbraw/zinc/59/35/23/557593523.db2.gz MEGSAVKYVHDVFH-UHFFFAOYSA-N 0 0 431.479 6.567 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1C ZINC000224338864 557593738 /nfs/dbraw/zinc/59/37/38/557593738.db2.gz SSUVNQXHZBCSDE-SFHVURJKSA-N 0 0 449.422 5.342 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000224340456 557594129 /nfs/dbraw/zinc/59/41/29/557594129.db2.gz XSYRUOXBDATORF-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000224340376 557594188 /nfs/dbraw/zinc/59/41/88/557594188.db2.gz DDSAXABKBIZZET-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1cccc2ccccc21 ZINC000027905492 557594557 /nfs/dbraw/zinc/59/45/57/557594557.db2.gz OTQNUIKXYBVHGK-HHHXNRCGSA-N 0 0 440.568 6.514 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224343172 557594770 /nfs/dbraw/zinc/59/47/70/557594770.db2.gz KQCFHDRBYDYAKV-KRWDZBQOSA-N 0 0 435.395 5.034 40 0 IKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 ZINC000224342973 557594812 /nfs/dbraw/zinc/59/48/12/557594812.db2.gz BGIIDCVULVQBQS-CLJLJLNGSA-N 0 0 438.600 5.920 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224343221 557594819 /nfs/dbraw/zinc/59/48/19/557594819.db2.gz KQCFHDRBYDYAKV-QGZVFWFLSA-N 0 0 435.395 5.034 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224345165 557595174 /nfs/dbraw/zinc/59/51/74/557595174.db2.gz RPXXLDOYJUOMOX-QHCPKHFHSA-N 0 0 429.004 5.340 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1CSc1ccc(Cl)cc1 ZINC000224348181 557595707 /nfs/dbraw/zinc/59/57/07/557595707.db2.gz BBAWVFNDTKNTGP-UHFFFAOYSA-N 0 0 432.372 6.855 40 0 IKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000224347612 557595713 /nfs/dbraw/zinc/59/57/13/557595713.db2.gz WNHJNZQUXJTKRD-LOSJGSFVSA-N 0 0 443.547 6.220 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1CSc1ccc(Cl)cc1 ZINC000224349153 557595907 /nfs/dbraw/zinc/59/59/07/557595907.db2.gz RKJHVZVLFWUEJT-UHFFFAOYSA-N 0 0 436.335 6.686 40 0 IKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1CSc1ccc(Cl)cc1 ZINC000224350641 557596423 /nfs/dbraw/zinc/59/64/23/557596423.db2.gz MYSIYPQYJKIJRR-UHFFFAOYSA-N 0 0 448.371 6.555 40 0 IKABRN COC(=O)c1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 ZINC000224350984 557596579 /nfs/dbraw/zinc/59/65/79/557596579.db2.gz GLZXXFKVZWIIGC-UHFFFAOYSA-N 0 0 441.936 5.680 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COCc1ccccc1 ZINC000224352444 557596853 /nfs/dbraw/zinc/59/68/53/557596853.db2.gz NIIJYUSHSILNDM-UHFFFAOYSA-N 0 0 439.511 6.457 40 0 IKABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000224354006 557597066 /nfs/dbraw/zinc/59/70/66/557597066.db2.gz KBJPCHBXXIIAGE-QGZVFWFLSA-N 0 0 435.395 5.116 40 0 IKABRN CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000224355899 557597256 /nfs/dbraw/zinc/59/72/56/557597256.db2.gz GVMGDFRSXVBJIO-UHFFFAOYSA-N 0 0 449.359 5.461 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COCc1ccccc1 ZINC000224356836 557597429 /nfs/dbraw/zinc/59/74/29/557597429.db2.gz MPUQESGNLHKLIN-UHFFFAOYSA-N 0 0 449.856 6.337 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 ZINC000224357404 557597453 /nfs/dbraw/zinc/59/74/53/557597453.db2.gz ANYBDNXCVJZMTL-LOSJGSFVSA-N 0 0 439.588 5.568 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 ZINC000224357450 557597471 /nfs/dbraw/zinc/59/74/71/557597471.db2.gz ANYBDNXCVJZMTL-JWQCQUIFSA-N 0 0 439.588 5.568 40 0 IKABRN CCN(c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000224358131 557597642 /nfs/dbraw/zinc/59/76/42/557597642.db2.gz RASODBXUUJDWCL-UHFFFAOYSA-N 0 0 448.466 5.173 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COc1ccccc1 ZINC000224363049 557597963 /nfs/dbraw/zinc/59/79/63/557597963.db2.gz CCHRBTYZPKSRIF-UHFFFAOYSA-N 0 0 444.300 5.818 40 0 IKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000224365228 557598327 /nfs/dbraw/zinc/59/83/27/557598327.db2.gz LQKGRAKDFQNSJB-QFIPXVFZSA-N 0 0 447.406 5.402 40 0 IKABRN CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224366228 557598592 /nfs/dbraw/zinc/59/85/92/557598592.db2.gz SRVFQANOVQIYPI-FQEVSTJZSA-N 0 0 436.577 5.010 40 0 IKABRN CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1COc1ccccc1 ZINC000224368126 557598774 /nfs/dbraw/zinc/59/87/74/557598774.db2.gz AYZHBWKJFOWUBH-UHFFFAOYSA-N 0 0 441.911 5.587 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224372096 557598937 /nfs/dbraw/zinc/59/89/37/557598937.db2.gz GBQYBTMALZGDPD-SFHVURJKSA-N 0 0 449.422 5.424 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1C ZINC000224374709 557599124 /nfs/dbraw/zinc/59/91/24/557599124.db2.gz ISONKBMCKGIUGJ-GOSISDBHSA-N 0 0 449.422 5.342 40 0 IKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1C ZINC000224373299 557599168 /nfs/dbraw/zinc/59/91/68/557599168.db2.gz BZMOEYGGTNYLSC-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1COc1ccccc1C ZINC000224377186 557599258 /nfs/dbraw/zinc/59/92/58/557599258.db2.gz AQUQLKOWFBUBGD-UHFFFAOYSA-N 0 0 448.538 5.074 40 0 IKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224379372 557599262 /nfs/dbraw/zinc/59/92/62/557599262.db2.gz ZAKZSKAYUSMHTG-GOSISDBHSA-N 0 0 449.422 5.342 40 0 IKABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)s2)cc1 ZINC000224376565 557599299 /nfs/dbraw/zinc/59/92/99/557599299.db2.gz MWYAOZLKAHLKHP-UHFFFAOYSA-N 0 0 435.936 5.998 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224379228 557599330 /nfs/dbraw/zinc/59/93/30/557599330.db2.gz PBIBUSAKLYOAJS-QGZVFWFLSA-N 0 0 435.395 5.034 40 0 IKABRN CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccccc1C ZINC000224376523 557599332 /nfs/dbraw/zinc/59/93/32/557599332.db2.gz OTRROMODHYFOQE-UHFFFAOYSA-N 0 0 443.587 6.068 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224379178 557599335 /nfs/dbraw/zinc/59/93/35/557599335.db2.gz PBIBUSAKLYOAJS-KRWDZBQOSA-N 0 0 435.395 5.034 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000224379731 557599575 /nfs/dbraw/zinc/59/95/75/557599575.db2.gz WNKIAVDXQIMLOB-UHFFFAOYSA-N 0 0 426.409 5.854 40 0 IKABRN CCCc1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000224381841 557599694 /nfs/dbraw/zinc/59/96/94/557599694.db2.gz UYGXDKMMCPIVKF-UHFFFAOYSA-N 0 0 435.589 5.619 40 0 IKABRN Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224386519 557600232 /nfs/dbraw/zinc/60/02/32/557600232.db2.gz XUARVPYIMCLMGM-QGZVFWFLSA-N 0 0 435.395 5.034 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(C)c3)c2)cc1 ZINC000224386546 557600313 /nfs/dbraw/zinc/60/03/13/557600313.db2.gz CAFVKYKJVQCLJF-UHFFFAOYSA-N 0 0 433.504 5.402 40 0 IKABRN CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1COc1cccc(C)c1 ZINC000224387753 557600463 /nfs/dbraw/zinc/60/04/63/557600463.db2.gz SJJZBWMKVQNEBC-UHFFFAOYSA-N 0 0 448.538 5.074 40 0 IKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 ZINC000224388823 557600474 /nfs/dbraw/zinc/60/04/74/557600474.db2.gz RZFUDYCFZDGJGM-IRXDYDNUSA-N 0 0 434.359 5.222 40 0 IKABRN COc1ccccc1CNC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 ZINC000224390684 557600644 /nfs/dbraw/zinc/60/06/44/557600644.db2.gz CDHOGKUSGFREER-UHFFFAOYSA-N 0 0 427.953 5.580 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1CSc1ccc(Cl)cc1 ZINC000224391572 557600970 /nfs/dbraw/zinc/60/09/70/557600970.db2.gz UEXNVIJXFHKGAG-UHFFFAOYSA-N 0 0 440.952 5.852 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CCCC1 ZINC000224396847 557601585 /nfs/dbraw/zinc/60/15/85/557601585.db2.gz TYPMGZOYZOPEGN-ZEQRLZLVSA-N 0 0 434.584 5.931 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224400374 557602065 /nfs/dbraw/zinc/60/20/65/557602065.db2.gz YPFADRVQSDCPBS-QGZVFWFLSA-N 0 0 437.005 5.395 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000224404042 557602556 /nfs/dbraw/zinc/60/25/56/557602556.db2.gz PWZSMTMUIFSKDM-QGZVFWFLSA-N 0 0 437.005 5.395 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224406881 557602744 /nfs/dbraw/zinc/60/27/44/557602744.db2.gz GWOFZFJXJOQOEB-ZEQRLZLVSA-N 0 0 428.536 5.497 40 0 IKABRN CN(Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000224407013 557602763 /nfs/dbraw/zinc/60/27/63/557602763.db2.gz CQTZJNQVZSZKDN-UHFFFAOYSA-N 0 0 449.359 5.066 40 0 IKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 ZINC000224406669 557602772 /nfs/dbraw/zinc/60/27/72/557602772.db2.gz CUEAYQGFANBTRC-BJKOFHAPSA-N 0 0 428.536 5.497 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224408117 557602878 /nfs/dbraw/zinc/60/28/78/557602878.db2.gz AXPITLWRUIRQRQ-SFHVURJKSA-N 0 0 449.422 5.424 40 0 IKABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224408594 557603205 /nfs/dbraw/zinc/60/32/05/557603205.db2.gz XXIDQGGIVOFPPH-BJKOFHAPSA-N 0 0 444.535 5.197 40 0 IKABRN Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 ZINC000224411373 557603609 /nfs/dbraw/zinc/60/36/09/557603609.db2.gz LCBAZYMSNYIGGX-DHIUTWEWSA-N 0 0 433.483 5.797 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000224411886 557603613 /nfs/dbraw/zinc/60/36/13/557603613.db2.gz MGGBCYYJYRUKQR-UHFFFAOYSA-N 0 0 436.577 5.102 40 0 IKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000224411647 557603614 /nfs/dbraw/zinc/60/36/14/557603614.db2.gz PYOZJWYJWFEZNA-XZOQPEGZSA-N 0 0 449.938 6.311 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000224422118 557604481 /nfs/dbraw/zinc/60/44/81/557604481.db2.gz XRXZOFUUEONDRD-IBGZPJMESA-N 0 0 441.786 5.133 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccnc1 ZINC000224424851 557604878 /nfs/dbraw/zinc/60/48/78/557604878.db2.gz BFFUWTMXSSRAHK-RPWUZVMVSA-N 0 0 443.551 5.200 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1Cc1ccco1 ZINC000224425676 557604966 /nfs/dbraw/zinc/60/49/66/557604966.db2.gz HDQKZLJSSVFVDO-ZEQRLZLVSA-N 0 0 446.551 5.457 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000224425759 557604976 /nfs/dbraw/zinc/60/49/76/557604976.db2.gz JJZIFIIYAZWQFL-IBGZPJMESA-N 0 0 449.595 5.892 40 0 IKABRN COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F ZINC000224426163 557605026 /nfs/dbraw/zinc/60/50/26/557605026.db2.gz XOOXGOMCKFKLHD-ZEQRLZLVSA-N 0 0 444.535 5.197 40 0 IKABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F ZINC000224426054 557605055 /nfs/dbraw/zinc/60/50/55/557605055.db2.gz XOOXGOMCKFKLHD-RPWUZVMVSA-N 0 0 444.535 5.197 40 0 IKABRN Cc1cccc(C)c1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224431064 557605594 /nfs/dbraw/zinc/60/55/94/557605594.db2.gz XPFAYSVXOLRAAK-UHFFFAOYSA-N 0 0 442.968 5.030 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1COC(C)C ZINC000224431467 557605669 /nfs/dbraw/zinc/60/56/69/557605669.db2.gz QXCMBDLICABMLW-UHFFFAOYSA-N 0 0 437.923 5.757 40 0 IKABRN Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224441216 557606533 /nfs/dbraw/zinc/60/65/33/557606533.db2.gz RFRIOTNEXZIQFI-GOTSBHOMSA-N 0 0 432.499 5.328 40 0 IKABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224441971 557606744 /nfs/dbraw/zinc/60/67/44/557606744.db2.gz BBZKIIHVGBYGTH-ZEQRLZLVSA-N 0 0 444.535 5.197 40 0 IKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000224444151 557606866 /nfs/dbraw/zinc/60/68/66/557606866.db2.gz UPCRRKBBOINMPL-GOTSBHOMSA-N 0 0 447.560 6.142 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1c1ccc(Cl)cc1 ZINC000224454465 557607779 /nfs/dbraw/zinc/60/77/79/557607779.db2.gz FEIWOXZQIVOFNI-VXKWHMMOSA-N 0 0 431.952 5.098 40 0 IKABRN CCN(Cc1ccc(C(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224454396 557607810 /nfs/dbraw/zinc/60/78/10/557607810.db2.gz JBNXPMBALKTMOT-UHFFFAOYSA-N 0 0 442.968 5.112 40 0 IKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000224453697 557607824 /nfs/dbraw/zinc/60/78/24/557607824.db2.gz YIXUZGYNCBWXQL-HNNXBMFYSA-N 0 0 438.420 5.689 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1c1ccc(Cl)cc1 ZINC000224454564 557607916 /nfs/dbraw/zinc/60/79/16/557607916.db2.gz NJWCUZZCGXIFAR-FCHUYYIVSA-N 0 0 431.952 5.098 40 0 IKABRN CCN(Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224454886 557607963 /nfs/dbraw/zinc/60/79/63/557607963.db2.gz QQUVLKQZNUGFIG-UHFFFAOYSA-N 0 0 436.577 5.075 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1c1ccc(Cl)cc1 ZINC000224459563 557608696 /nfs/dbraw/zinc/60/86/96/557608696.db2.gz KWDXZPMYNRAYQF-PKTZIBPZSA-N 0 0 445.979 5.157 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1c1ccc(Cl)cc1 ZINC000224460407 557608719 /nfs/dbraw/zinc/60/87/19/557608719.db2.gz VTISBRYQRLPNQY-FCHUYYIVSA-N 0 0 434.952 5.355 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1c1ccc(Cl)cc1 ZINC000224459511 557608723 /nfs/dbraw/zinc/60/87/23/557608723.db2.gz KWDXZPMYNRAYQF-GOTSBHOMSA-N 0 0 445.979 5.157 40 0 IKABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1cccnc1 ZINC000224459821 557608740 /nfs/dbraw/zinc/60/87/40/557608740.db2.gz GOGUSEADMKUDBF-DHIUTWEWSA-N 0 0 445.979 5.406 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COCc1ccccc1 ZINC000224461540 557608890 /nfs/dbraw/zinc/60/88/90/557608890.db2.gz GKHSEHQCDZOQQG-UHFFFAOYSA-N 0 0 449.856 6.337 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000224462493 557609068 /nfs/dbraw/zinc/60/90/68/557609068.db2.gz RIFKEAKACVHDIX-IBGZPJMESA-N 0 0 441.786 5.133 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224465348 557609219 /nfs/dbraw/zinc/60/92/19/557609219.db2.gz SDDZVNKXDZJOEU-NRFANRHFSA-N 0 0 435.395 5.096 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccc(C)cc1 ZINC000224467521 557609479 /nfs/dbraw/zinc/60/94/79/557609479.db2.gz CJSNMXYCQVWUGV-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccc(C)cc1 ZINC000224468047 557609509 /nfs/dbraw/zinc/60/95/09/557609509.db2.gz CPUCDZJTPNNFHV-UHFFFAOYSA-N 0 0 429.438 6.244 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccc(C)cc1 ZINC000224466757 557609543 /nfs/dbraw/zinc/60/95/43/557609543.db2.gz HGZURDUMXMHTQZ-UHFFFAOYSA-N 0 0 440.337 5.988 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1c1ccc(Cl)cc1 ZINC000224471363 557609747 /nfs/dbraw/zinc/60/97/47/557609747.db2.gz OETVNZCZPHVPCY-DHIUTWEWSA-N 0 0 437.012 6.219 40 0 IKABRN Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 ZINC000224472503 557609884 /nfs/dbraw/zinc/60/98/84/557609884.db2.gz ASULUEKRAMPCMQ-PKTZIBPZSA-N 0 0 448.954 5.842 40 0 IKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 ZINC000224471768 557609949 /nfs/dbraw/zinc/60/99/49/557609949.db2.gz AHTCWSACFDNWJE-BJKOFHAPSA-N 0 0 444.991 6.011 40 0 IKABRN Oc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 ZINC000224473789 557610073 /nfs/dbraw/zinc/61/00/73/557610073.db2.gz KJUHPPKYSFGHBF-XZOQPEGZSA-N 0 0 446.963 5.408 40 0 IKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1Cl ZINC000224477766 557610524 /nfs/dbraw/zinc/61/05/24/557610524.db2.gz HDELLFMXCBBECB-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1Cl ZINC000224477843 557610537 /nfs/dbraw/zinc/61/05/37/557610537.db2.gz ZQWHHQVFNSLEKX-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccccc1Cl ZINC000224479811 557610720 /nfs/dbraw/zinc/61/07/20/557610720.db2.gz ASUQSDJUFOMOMN-UHFFFAOYSA-N 0 0 441.911 5.587 40 0 IKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1Cl ZINC000224480033 557610754 /nfs/dbraw/zinc/61/07/54/557610754.db2.gz QJZJRPLGHNQGKY-UHFFFAOYSA-N 0 0 425.912 5.887 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1Cl ZINC000224479883 557610788 /nfs/dbraw/zinc/61/07/88/557610788.db2.gz HCTBYNXSZNXFBM-UHFFFAOYSA-N 0 0 425.868 5.299 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1c1ccc(Cl)cc1 ZINC000224480645 557610901 /nfs/dbraw/zinc/61/09/01/557610901.db2.gz ZUIDLKGQRIGZBI-PKTZIBPZSA-N 0 0 430.964 5.703 40 0 IKABRN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1Cl ZINC000224480245 557610916 /nfs/dbraw/zinc/61/09/16/557610916.db2.gz AJFHUBJWOOBDAL-UHFFFAOYSA-N 0 0 427.953 6.292 40 0 IKABRN Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Br)cc1 ZINC000224483801 557611101 /nfs/dbraw/zinc/61/11/01/557611101.db2.gz PORLTGKOEPMIDJ-SJORKVTESA-N 0 0 430.396 5.391 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1Cl ZINC000224482809 557611106 /nfs/dbraw/zinc/61/11/06/557611106.db2.gz KEXAVWVWQCAACO-UHFFFAOYSA-N 0 0 427.953 6.292 40 0 IKABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)s1 ZINC000224484009 557611165 /nfs/dbraw/zinc/61/11/65/557611165.db2.gz FFKSQJKSEQCIAI-MSOLQXFVSA-N 0 0 430.396 5.391 40 0 IKABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000224486085 557611464 /nfs/dbraw/zinc/61/14/64/557611464.db2.gz KSXRGTUWXRHSJF-IBGZPJMESA-N 0 0 447.044 5.054 40 0 IKABRN CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 ZINC000224486118 557611491 /nfs/dbraw/zinc/61/14/91/557611491.db2.gz SIZGRAHYKISALL-PMACEKPBSA-N 0 0 441.398 5.404 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1cccc(Cl)c1 ZINC000224489673 557611885 /nfs/dbraw/zinc/61/18/85/557611885.db2.gz DOWSCJQPBHAZQN-UHFFFAOYSA-N 0 0 449.856 6.589 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cccc(Cl)c1 ZINC000224490564 557612025 /nfs/dbraw/zinc/61/20/25/557612025.db2.gz VMJZWDNBPILFHW-UHFFFAOYSA-N 0 0 439.895 5.341 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1cccc(Cl)c1 ZINC000224490097 557612047 /nfs/dbraw/zinc/61/20/47/557612047.db2.gz AQPJAMCLVHZOHK-UHFFFAOYSA-N 0 0 425.912 5.969 40 0 IKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000224491267 557612220 /nfs/dbraw/zinc/61/22/20/557612220.db2.gz WINMRFFJKZPAAL-JOCHJYFZSA-N 0 0 447.406 5.402 40 0 IKABRN CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cccc(Cl)c1 ZINC000224494702 557612585 /nfs/dbraw/zinc/61/25/85/557612585.db2.gz HAPGHRCPXBNSJL-LJQANCHMSA-N 0 0 437.967 6.069 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C ZINC000224496654 557612951 /nfs/dbraw/zinc/61/29/51/557612951.db2.gz BARURGRPTXANIR-AMCKHAKVSA-N 0 0 444.531 5.086 40 0 IKABRN CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(Cl)cc1 ZINC000224496820 557612990 /nfs/dbraw/zinc/61/29/90/557612990.db2.gz QXTXJDRZSGOOEF-UHFFFAOYSA-N 0 0 430.331 5.901 40 0 IKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(Cl)cc1 ZINC000224499296 557613163 /nfs/dbraw/zinc/61/31/63/557613163.db2.gz IMUPONSHQJMEFP-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN 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Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)Cc3ccccc3C2)cc1 ZINC000225933816 557794157 /nfs/dbraw/zinc/79/41/57/557794157.db2.gz DVDNODWXSVKINE-UHFFFAOYSA-N 0 0 435.567 6.611 40 0 IKABRN C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCc2ccccc2Cl)n1 ZINC000225938555 557794744 /nfs/dbraw/zinc/79/47/44/557794744.db2.gz QBOONEBBMKCJSP-LBPRGKRZSA-N 0 0 443.926 5.014 40 0 IKABRN Cc1nn(-c2ccccc2)c2c1[C@]1(C=C(C)O2)Nc2cc(C)c(C)c(Br)c2O1 ZINC000040545543 557794767 /nfs/dbraw/zinc/79/47/67/557794767.db2.gz WWLGZJBCJXLXFW-JOCHJYFZSA-N 0 0 438.325 5.514 40 0 IKABRN COc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)c(C)c1 ZINC000225937751 557794832 /nfs/dbraw/zinc/79/48/32/557794832.db2.gz KJPBHZRJKXKMJS-UHFFFAOYSA-N 0 0 435.567 6.480 40 0 IKABRN CCc1cc2c(c(Br)c1)O[C@]1(C=C(C)Oc3c1c(C)nn3-c1ccccc1)N2 ZINC000040546024 557795203 /nfs/dbraw/zinc/79/52/03/557795203.db2.gz YKGMEMSOFVXGGN-QFIPXVFZSA-N 0 0 438.325 5.459 40 0 IKABRN Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCCC[C@@H]3C)n2)cc1 ZINC000225944134 557795497 /nfs/dbraw/zinc/79/54/97/557795497.db2.gz IWJBCCXYKSFMPY-IBGZPJMESA-N 0 0 447.608 5.443 40 0 IKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc12 ZINC000225944690 557795592 /nfs/dbraw/zinc/79/55/92/557795592.db2.gz YCBDSZKCSLOHME-UHFFFAOYSA-N 0 0 433.504 5.043 40 0 IKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C(F)(F)F ZINC000225955519 557796695 /nfs/dbraw/zinc/79/66/95/557796695.db2.gz PQKSXVMPAAEZAN-UHFFFAOYSA-N 0 0 441.877 5.833 40 0 IKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(F)(F)F ZINC000225955433 557796731 /nfs/dbraw/zinc/79/67/31/557796731.db2.gz FVBRTTBYINASGK-UHFFFAOYSA-N 0 0 439.905 6.987 40 0 IKABRN CC(C)COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1C(F)(F)F ZINC000225957065 557796802 /nfs/dbraw/zinc/79/68/02/557796802.db2.gz MBQYVZWWJKTMBQ-UHFFFAOYSA-N 0 0 427.894 6.601 40 0 IKABRN Cc1cc(N2CCCCC2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)n1 ZINC000225991120 557799520 /nfs/dbraw/zinc/79/95/20/557799520.db2.gz JSYWSPUZVQVFOF-UHFFFAOYSA-N 0 0 441.620 5.103 40 0 IKABRN Fc1ccc(C2(CNC(=S)Nc3nc(Cl)cc(N4CCCC4)n3)CCCCC2)cc1 ZINC000225991622 557799548 /nfs/dbraw/zinc/79/95/48/557799548.db2.gz PQWNKLJYJXTOLP-UHFFFAOYSA-N 0 0 448.011 5.058 40 0 IKABRN C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCCCC3)n2)C1 ZINC000226010449 557800904 /nfs/dbraw/zinc/80/09/04/557800904.db2.gz JTPCVCUAFMOUFP-SFHVURJKSA-N 0 0 439.629 5.514 40 0 IKABRN C[C@@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NC3CCCCCC3)n2)C1 ZINC000226010409 557800915 /nfs/dbraw/zinc/80/09/15/557800915.db2.gz YUDXYEYZOFFAEX-LJQANCHMSA-N 0 0 444.693 5.103 40 0 IKABRN C[C@@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCCC2)n1 ZINC000226010549 557800956 /nfs/dbraw/zinc/80/09/56/557800956.db2.gz HNBVMZQZUBKJSY-GOSISDBHSA-N 0 0 439.629 5.657 40 0 IKABRN CNc1nc(-c2ccc(OC)c(NC(=O)C(c3ccccc3)c3ccccc3)c2)cs1 ZINC000226092352 557805212 /nfs/dbraw/zinc/80/52/12/557805212.db2.gz SBZDXCCNHKLCTG-UHFFFAOYSA-N 0 0 429.545 5.631 40 0 IKABRN CC(C)c1nc(Cc2ccc(NC(=O)c3cc4cc5ccccc5nc4s3)cc2)no1 ZINC000226095783 557805359 /nfs/dbraw/zinc/80/53/59/557805359.db2.gz HMNWNEJYIHDKIR-UHFFFAOYSA-N 0 0 428.517 5.799 40 0 IKABRN COc1ccc(-c2ncc(C(=O)Nc3c(C)cc(Br)cc3C)c(C)n2)cc1 ZINC000226096078 557805391 /nfs/dbraw/zinc/80/53/91/557805391.db2.gz JOYPVYWQBNXHGQ-UHFFFAOYSA-N 0 0 426.314 5.092 40 0 IKABRN C[C@@H]1Cc2cccc3c2n1cc(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c3=O ZINC000226093967 557805398 /nfs/dbraw/zinc/80/53/98/557805398.db2.gz VYAUCMHGRXSYCE-SNVBAGLBSA-N 0 0 440.343 5.409 40 0 IKABRN CC(C)(C)c1ccc(COc2ccc(Br)cc2-c2nc3ccccc3[nH]2)cc1 ZINC000041005213 557805591 /nfs/dbraw/zinc/80/55/91/557805591.db2.gz ZZELUCMPDUYUJE-UHFFFAOYSA-N 0 0 435.365 6.869 40 0 IKABRN Cc1ccc(S[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000031852035 557805608 /nfs/dbraw/zinc/80/56/08/557805608.db2.gz GHKBQAVKPZYEJZ-QFIPXVFZSA-N 0 0 430.617 5.409 40 0 IKABRN COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1Cl ZINC000041004994 557805679 /nfs/dbraw/zinc/80/56/79/557805679.db2.gz MDJIZDAESDPUKU-UHFFFAOYSA-N 0 0 443.728 6.233 40 0 IKABRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1O[C@@H](C)c1ccccc1 ZINC000041076811 557805802 /nfs/dbraw/zinc/80/58/02/557805802.db2.gz DLIJMTLEBAAPBX-HNNXBMFYSA-N 0 0 432.545 5.679 40 0 IKABRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1O[C@H](C)c1ccccc1 ZINC000041076812 557805809 /nfs/dbraw/zinc/80/58/09/557805809.db2.gz DLIJMTLEBAAPBX-OAHLLOKOSA-N 0 0 432.545 5.679 40 0 IKABRN CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000032691837 557806107 /nfs/dbraw/zinc/80/61/07/557806107.db2.gz XGKLYWVEGRKCNK-UHFFFAOYSA-N 0 0 429.545 5.873 40 0 IKABRN CCCCSC1=N[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000033380011 557807514 /nfs/dbraw/zinc/80/75/14/557807514.db2.gz PNRLCGMVMIAVII-JOCHJYFZSA-N 0 0 439.581 5.150 40 0 IKABRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000033606672 557808657 /nfs/dbraw/zinc/80/86/57/557808657.db2.gz FKZBWJVJXLIQGD-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN O=C(Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)c1ccccc1 ZINC000033710304 557809187 /nfs/dbraw/zinc/80/91/87/557809187.db2.gz GXSKMCROYUZMOT-MKPDMIMOSA-N 0 0 444.578 6.817 40 0 IKABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000033636127 557809459 /nfs/dbraw/zinc/80/94/59/557809459.db2.gz WUADTKLPBIFISA-UHFFFAOYSA-N 0 0 448.951 5.017 40 0 IKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)c1 ZINC000033797302 557809906 /nfs/dbraw/zinc/80/99/06/557809906.db2.gz CFGIVLPJFFOYRM-UHFFFAOYSA-N 0 0 431.989 5.102 40 0 IKABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000033910087 557810236 /nfs/dbraw/zinc/81/02/36/557810236.db2.gz MNDJWAKEJGFTBX-YENTXNKWSA-N 0 0 427.931 5.891 40 0 IKABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033780359 557810719 /nfs/dbraw/zinc/81/07/19/557810719.db2.gz WGCUWDGUQQFXKQ-UHFFFAOYSA-N 0 0 428.891 5.426 40 0 IKABRN COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)cc1 ZINC000058960186 557813539 /nfs/dbraw/zinc/81/35/39/557813539.db2.gz UJNNSDBADOAJEP-UHFFFAOYSA-N 0 0 433.455 5.210 40 0 IKABRN O=C(CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)Nc1ccccc1F ZINC000058960120 557813554 /nfs/dbraw/zinc/81/35/54/557813554.db2.gz VFKFQINEQRXKCS-UHFFFAOYSA-N 0 0 441.837 5.686 40 0 IKABRN Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 ZINC000058960112 557813556 /nfs/dbraw/zinc/81/35/56/557813556.db2.gz PJBFIIMZLHNACN-UHFFFAOYSA-N 0 0 437.874 5.855 40 0 IKABRN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000058960170 557813583 /nfs/dbraw/zinc/81/35/83/557813583.db2.gz DCDLKMDRYYVNRW-UHFFFAOYSA-N 0 0 437.874 5.855 40 0 IKABRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000059056598 557813789 /nfs/dbraw/zinc/81/37/89/557813789.db2.gz SWMVSHZUHCADSA-UHFFFAOYSA-N 0 0 436.766 7.237 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1 ZINC000059132966 557814945 /nfs/dbraw/zinc/81/49/45/557814945.db2.gz JDPCHUMIIUGOBJ-OVCLIPMQSA-N 0 0 426.925 5.101 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)c1c2c(sc1NC(=O)c1ccc(Cl)cc1)CCCC2 ZINC000058886083 557815121 /nfs/dbraw/zinc/81/51/21/557815121.db2.gz BFTQCGDNFUCCFI-UHFFFAOYSA-N 0 0 445.371 6.438 40 0 IKABRN O=c1/c(=C\c2cn(Cc3cccc(Cl)c3)c3ccccc23)sc2nc3ccccc3n12 ZINC000059167671 557817190 /nfs/dbraw/zinc/81/71/90/557817190.db2.gz CFLOKLZMVQEDAX-YDZHTSKRSA-N 0 0 441.943 5.113 40 0 IKABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c1C ZINC000059176220 557817323 /nfs/dbraw/zinc/81/73/23/557817323.db2.gz QWCCJXMQQMMCDG-UHFFFAOYSA-N 0 0 437.443 5.015 40 0 IKABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)c1C ZINC000059176142 557817348 /nfs/dbraw/zinc/81/73/48/557817348.db2.gz XGKLYZDIYAJTTG-UHFFFAOYSA-N 0 0 438.336 5.303 40 0 IKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)c1 ZINC000059179526 557817506 /nfs/dbraw/zinc/81/75/06/557817506.db2.gz USSLKFACMLTHGV-UHFFFAOYSA-N 0 0 445.972 5.773 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2cc(C)ccc2C(C)C)o1 ZINC000059179534 557817509 /nfs/dbraw/zinc/81/75/09/557817509.db2.gz BSQIGWNLAWJGDG-UHFFFAOYSA-N 0 0 439.581 5.682 40 0 IKABRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000059176427 557817515 /nfs/dbraw/zinc/81/75/15/557817515.db2.gz FAICEHJPCFPLII-UHFFFAOYSA-N 0 0 438.597 5.150 40 0 IKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)c1 ZINC000059179530 557817552 /nfs/dbraw/zinc/81/75/52/557817552.db2.gz PQUAHZZUDGHXPP-UHFFFAOYSA-N 0 0 445.972 5.773 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2cccc(C)c2C)n1CC ZINC000059176394 557817579 /nfs/dbraw/zinc/81/75/79/557817579.db2.gz AXICIQWNVQUFSW-UHFFFAOYSA-N 0 0 438.597 5.095 40 0 IKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3Cl)o2)c1 ZINC000059179589 557817731 /nfs/dbraw/zinc/81/77/31/557817731.db2.gz DKCDJAOMZUQBPJ-UHFFFAOYSA-N 0 0 431.945 5.465 40 0 IKABRN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)Nc4cc(C(F)(F)F)ccc43)c2c1 ZINC000059186133 557818002 /nfs/dbraw/zinc/81/80/02/557818002.db2.gz MTQNJAKWTZRQOG-MOSHPQCFSA-N 0 0 427.422 6.149 40 0 IKABRN CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000059195398 557818570 /nfs/dbraw/zinc/81/85/70/557818570.db2.gz WAAHZWVHFMUNPF-HMAPJEAMSA-N 0 0 447.918 5.971 40 0 IKABRN Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059247924 557818981 /nfs/dbraw/zinc/81/89/81/557818981.db2.gz PQNYAGCXAWLAHN-OUKQBFOZSA-N 0 0 435.549 5.843 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 ZINC000059294261 557819561 /nfs/dbraw/zinc/81/95/61/557819561.db2.gz BXPKGNGMSWTWAT-UHFFFAOYSA-N 0 0 429.520 5.983 40 0 IKABRN O=C(Nc1c2nsnc2ccc1Cl)c1ccc(-c2ccc(Br)cc2)o1 ZINC000059294173 557819669 /nfs/dbraw/zinc/81/96/69/557819669.db2.gz GQXAZUSXXYZTHE-UHFFFAOYSA-N 0 0 434.702 5.620 40 0 IKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1N1CCCC1 ZINC000059294606 557820005 /nfs/dbraw/zinc/82/00/05/557820005.db2.gz QTGBALWJFPEYHH-UHFFFAOYSA-N 0 0 437.765 5.499 40 0 IKABRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc2nsnc2c1 ZINC000059294613 557820007 /nfs/dbraw/zinc/82/00/07/557820007.db2.gz AVGNIMLSKGLPIV-UHFFFAOYSA-N 0 0 428.517 6.184 40 0 IKABRN O=C(c1cn(CCOc2ccccc2Cl)c2ccc(Br)cc12)C(F)(F)F ZINC000059109419 557820429 /nfs/dbraw/zinc/82/04/29/557820429.db2.gz JUVLTZONEYSPIJ-UHFFFAOYSA-N 0 0 446.650 5.881 40 0 IKABRN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000059109436 557820459 /nfs/dbraw/zinc/82/04/59/557820459.db2.gz OKFIUVVUBNSIKW-UHFFFAOYSA-N 0 0 429.225 5.640 40 0 IKABRN Cc1ccccc1C(=O)N(CCN1C(=O)c2ccccc2C1=O)c1cccc2ccccc21 ZINC000059461517 557821548 /nfs/dbraw/zinc/82/15/48/557821548.db2.gz TVGLKDSNMMQDLL-UHFFFAOYSA-N 0 0 434.495 5.091 40 0 IKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000059472904 557821930 /nfs/dbraw/zinc/82/19/30/557821930.db2.gz JGZZDGCPFQCTMT-UHFFFAOYSA-N 0 0 449.359 5.212 40 0 IKABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000059472915 557821960 /nfs/dbraw/zinc/82/19/60/557821960.db2.gz POBPAKQUINXBAN-UHFFFAOYSA-N 0 0 449.359 5.212 40 0 IKABRN Cc1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 ZINC000059409079 557822573 /nfs/dbraw/zinc/82/25/73/557822573.db2.gz UCZNKDIGLSGONE-QFIPXVFZSA-N 0 0 439.378 6.033 40 0 IKABRN Brc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1 ZINC000059409098 557822616 /nfs/dbraw/zinc/82/26/16/557822616.db2.gz PVQJCDSETPMUQF-NRFANRHFSA-N 0 0 425.351 5.725 40 0 IKABRN O=C(COc1ccc(Cl)cc1)Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000059417207 557822792 /nfs/dbraw/zinc/82/27/92/557822792.db2.gz YFKXNRXSXSHCHU-UHFFFAOYSA-N 0 0 439.792 6.308 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(C(F)(F)F)c2)cc1OC ZINC000059417223 557822805 /nfs/dbraw/zinc/82/28/05/557822805.db2.gz SNQIOCCFYDEPMW-UHFFFAOYSA-N 0 0 435.373 5.906 40 0 IKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000059418204 557823220 /nfs/dbraw/zinc/82/32/20/557823220.db2.gz MTPUQIKEKDVAQL-FYJGNVAPSA-N 0 0 439.895 6.299 40 0 IKABRN CCOC(=O)C(=O)N1c2ccc(C)cc2[C@](C)(c2ccc(Br)cc2)CC1(C)C ZINC000059428095 557823892 /nfs/dbraw/zinc/82/38/92/557823892.db2.gz PTKWLSWTUGEVRJ-QHCPKHFHSA-N 0 0 444.369 5.142 40 0 IKABRN Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000059474668 557824396 /nfs/dbraw/zinc/82/43/96/557824396.db2.gz PPPCMJDZSQECNH-OAQYLSRUSA-N 0 0 434.750 6.109 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000059477511 557824928 /nfs/dbraw/zinc/82/49/28/557824928.db2.gz QTZGKUHRMGVOBO-VQHVLOKHSA-N 0 0 425.328 6.636 40 0 IKABRN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000059483705 557825047 /nfs/dbraw/zinc/82/50/47/557825047.db2.gz XDJNEUJFTAKCEW-FQEVSTJZSA-N 0 0 427.729 6.182 40 0 IKABRN CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000059483715 557825078 /nfs/dbraw/zinc/82/50/78/557825078.db2.gz RPCOJEYKZAIMNT-DEOSSOPVSA-N 0 0 428.532 5.932 40 0 IKABRN O=C1N[C@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2ccccc21 ZINC000059488781 557825833 /nfs/dbraw/zinc/82/58/33/557825833.db2.gz JOYBAURVRDKZJY-NDEPHWFRSA-N 0 0 437.495 5.666 40 0 IKABRN CC(C)(C)c1ccc(-c2nnc(SCc3c[nH]c4ccccc34)n2-c2ccccc2)cc1 ZINC000059489564 557825878 /nfs/dbraw/zinc/82/58/78/557825878.db2.gz RDNQNMKAQVXPJK-UHFFFAOYSA-N 0 0 438.600 7.005 40 0 IKABRN CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)sc2c1 ZINC000059489730 557826126 /nfs/dbraw/zinc/82/61/26/557826126.db2.gz MFRIBSHVFLVMQK-UHFFFAOYSA-N 0 0 425.457 5.004 40 0 IKABRN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)c4ccc(F)cc4)sc3c2)c1 ZINC000059489724 557826148 /nfs/dbraw/zinc/82/61/48/557826148.db2.gz CTFNCVKPUHESMP-UHFFFAOYSA-N 0 0 436.533 5.971 40 0 IKABRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000059498070 557826327 /nfs/dbraw/zinc/82/63/27/557826327.db2.gz UPIDWBHNMKFSLK-RUZDIDTESA-N 0 0 444.531 5.813 40 0 IKABRN CC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)sc2c1 ZINC000059497879 557826349 /nfs/dbraw/zinc/82/63/49/557826349.db2.gz LKRMVWUHHCMETP-UHFFFAOYSA-N 0 0 425.457 5.004 40 0 IKABRN Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(Cl)cc1Cl ZINC000059502207 557826747 /nfs/dbraw/zinc/82/67/47/557826747.db2.gz DIVMHEKSDWWOQR-UHFFFAOYSA-N 0 0 439.298 5.202 40 0 IKABRN O=C(Nc1ccc2nc(SCc3ccccc3Cl)sc2c1)c1ccccc1Cl ZINC000059855326 557827674 /nfs/dbraw/zinc/82/76/74/557827674.db2.gz XFJFXJMXLOYOLB-UHFFFAOYSA-N 0 0 445.396 7.148 40 0 IKABRN CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)CC1=O ZINC000064559860 557832550 /nfs/dbraw/zinc/83/25/50/557832550.db2.gz JRLVDQSYDDODPL-FNUGKIMXSA-N 0 0 444.700 7.218 40 0 IKABRN C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000229920033 557833988 /nfs/dbraw/zinc/83/39/88/557833988.db2.gz DHPABJAAWYDUQJ-INADMSBESA-N 0 0 427.931 5.973 40 0 IKABRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000122618594 557835291 /nfs/dbraw/zinc/83/52/91/557835291.db2.gz XHQVLSIVZIPGLE-XUCVSNNZSA-N 0 0 446.628 5.345 40 0 IKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000095636199 557837287 /nfs/dbraw/zinc/83/72/87/557837287.db2.gz NTWLPZMPTFQYQI-KMVZVNFZSA-N 0 0 442.728 7.141 40 0 in-vitro IKABRN CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1 ZINC000003831947 557851628 /nfs/dbraw/zinc/85/16/28/557851628.db2.gz IEXUMDBQLIVNHZ-YOUGDJEHSA-N 0 0 449.635 5.156 40 0 investigational IKABRN O=C1c2cc3c(cc2[C@@H]2C[C@@H](OCc4ccccc4)CC[C@@H]2N1Cc1ccccc1)OCO3 ZINC000247798823 560036952 /nfs/dbraw/zinc/03/69/52/560036952.db2.gz DSTSQAROMMWVIN-RSEQLOHWSA-N 0 0 441.527 5.293 40 0 biogenic,in-vitro IKABRN CC(=O)N[C@H]1C[C@H]2[C@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC[C@@H]12 ZINC000253505693 560038266 /nfs/dbraw/zinc/03/82/66/560038266.db2.gz ZVBBVQAJSUFYKD-MEBFPAKGSA-N 0 0 429.733 7.612 40 0 biogenic,in-vitro IKABRN O=C(c1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccc4ccccc4c3)ccc12 ZINC000004237087 560197628 /nfs/dbraw/zinc/19/76/28/560197628.db2.gz PNVIHLCOPJNQCE-FDDCHVKYSA-N 0 0 438.502 5.067 40 0 biogenic,in-vitro IKABRN Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000008297461 560208222 /nfs/dbraw/zinc/20/82/22/560208222.db2.gz ORDSJMMQWUDWNL-ZWKOTPCHSA-N 0 0 433.939 5.128 40 0 biogenic,in-vitro IKABRN COc1ccc(NC(=O)N[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccc(C(C)C)cc4)c3C)C2)cc1 ZINC000008636076 560210535 /nfs/dbraw/zinc/21/05/35/560210535.db2.gz UOTRIQMZDFBBAO-FYYLOGMGSA-N 0 0 444.579 5.855 40 0 biogenic,in-vitro IKABRN Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccs2)C1 ZINC000008643279 560210661 /nfs/dbraw/zinc/21/06/61/560210661.db2.gz AJZOTPYGMVHUHC-NVXWUHKLSA-N 0 0 442.382 5.155 40 0 biogenic,in-vitro IKABRN COCCOC(=O)c1c(C)n(Cc2ccc(C(C)(C)C)cc2)c2c1cc(O)c1ccccc21 ZINC000008783570 560210947 /nfs/dbraw/zinc/21/09/47/560210947.db2.gz ZXRMRZRRWRURBF-UHFFFAOYSA-N 0 0 445.559 5.958 40 0 biogenic,in-vitro IKABRN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000013423785 560216569 /nfs/dbraw/zinc/21/65/69/560216569.db2.gz MCXULCLKYCWUMP-XPAMVJPWSA-N 0 0 432.689 6.417 40 0 biogenic,in-vitro IKABRN Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2)C1 ZINC000015673947 560230741 /nfs/dbraw/zinc/23/07/41/560230741.db2.gz JAYKUTIKSZESGP-NFBKMPQASA-N 0 0 428.580 6.020 40 0 biogenic,in-vitro IKABRN C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000004074032 562941459 /nfs/dbraw/zinc/94/14/59/562941459.db2.gz LPZCCMIISIBREI-SLNSELIZSA-N 0 0 426.729 8.191 40 0 biogenic IKABRN C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000004074030 562941488 /nfs/dbraw/zinc/94/14/88/562941488.db2.gz LPZCCMIISIBREI-RVICVCSDSA-N 0 0 426.729 8.191 40 0 biogenic IKABRN COc1c(CC=C(C)C)c(O)ccc1[C@H]1COc2cc(O)c(CC=C(C)C)c(O)c2C1=O ZINC000014727574 563014932 /nfs/dbraw/zinc/01/49/32/563014932.db2.gz ARNVYCOTFWJTBS-LJQANCHMSA-N 0 0 438.520 5.188 40 0 biogenic,in-vitro IKABRN COc1ccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)cc1 ZINC000019319447 563022547 /nfs/dbraw/zinc/02/25/47/563022547.db2.gz OEECGNGFPFSXNO-UHFFFAOYSA-N 0 0 427.375 6.019 40 0 IKABRN CC/C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2OCc2cccc(OC)c21 ZINC000095921019 563195030 /nfs/dbraw/zinc/19/50/30/563195030.db2.gz PHIKAOOZNGLKDI-QQTULTPQSA-N 0 0 435.545 5.328 40 0 in-vitro IKABRN COc1ccc2cc(CN(Cc3ccccc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000879607 568620478 /nfs/dbraw/zinc/62/04/78/568620478.db2.gz VFLGYGDTUTYBMY-UHFFFAOYSA-N 0 0 447.535 5.075 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)cc3C)o2)cc1Cl ZINC000017097201 568624208 /nfs/dbraw/zinc/62/42/08/568624208.db2.gz AELHZBYULTXXIF-JXMROGBWSA-N 0 0 430.729 6.631 40 0 IKABRN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cccc2c(Cl)cccc12 ZINC000017098315 568624261 /nfs/dbraw/zinc/62/42/61/568624261.db2.gz GVQYVDVVBZKMBQ-UHFFFAOYSA-N 0 0 433.294 7.207 40 0 IKABRN CC[Si](CC)(CC)c1c(F)c(Br)cc(I)c1F ZINC000195981575 568624807 /nfs/dbraw/zinc/62/48/07/568624807.db2.gz UEGDQILRPSWQFL-UHFFFAOYSA-N 0 0 433.150 5.047 40 0 IKABRN CCCCc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000222546973 568626491 /nfs/dbraw/zinc/62/64/91/568626491.db2.gz ULWSUWLHYQEXNV-UHFFFAOYSA-N 0 0 436.577 5.415 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(Br)cc1Br ZINC000000951435 568645290 /nfs/dbraw/zinc/64/52/90/568645290.db2.gz HIPYBDAKJUFZJR-UHFFFAOYSA-N 0 0 433.527 5.191 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccc(Cl)cc2)c2ccccc2)c1C ZINC000026770753 568738583 /nfs/dbraw/zinc/73/85/83/568738583.db2.gz AYNUWIUZNJYLFX-DEOSSOPVSA-N 0 0 447.003 7.472 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2cccc(F)c2)c1C ZINC000026770909 568738811 /nfs/dbraw/zinc/73/88/11/568738811.db2.gz FVEAYCONINERQC-XMMPIXPASA-N 0 0 430.548 6.958 40 0 IKABRN COc1ccc([C@@H](Nc2ccccc2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1 ZINC000026770842 568738823 /nfs/dbraw/zinc/73/88/23/568738823.db2.gz KOJDCQKKRXBCFJ-RUZDIDTESA-N 0 0 442.584 6.827 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)c2C)c2ccccc2)c1C ZINC000026770826 568738892 /nfs/dbraw/zinc/73/88/92/568738892.db2.gz CODHVVDXVUPHND-SANMLTNESA-N 0 0 440.612 7.436 40 0 IKABRN O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000026780062 568738973 /nfs/dbraw/zinc/73/89/73/568738973.db2.gz NGFUHEXZHXRHGK-UHFFFAOYSA-N 0 0 441.510 5.033 40 0 IKABRN CC(C)(C)OC(=O)N(CC(=O)OCc1ccccc1)C(=O)c1cc(Cl)ccc1Cl ZINC000585656411 568780383 /nfs/dbraw/zinc/78/03/83/568780383.db2.gz ZRPVCMVFSGTTLH-UHFFFAOYSA-N 0 0 438.307 5.114 40 0 IKABRN Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c(Cl)c1 ZINC000072230061 568783192 /nfs/dbraw/zinc/78/31/92/568783192.db2.gz KSNJSOXOMZJWNL-JOCHJYFZSA-N 0 0 430.331 5.709 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072229984 568783206 /nfs/dbraw/zinc/78/32/06/568783206.db2.gz IIYDBJWLTFQDMI-IBGZPJMESA-N 0 0 436.722 5.989 40 0 IKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072230078 568783231 /nfs/dbraw/zinc/78/32/31/568783231.db2.gz PNSFBUWPTJFYNB-NRFANRHFSA-N 0 0 430.331 5.871 40 0 IKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072229979 568783243 /nfs/dbraw/zinc/78/32/43/568783243.db2.gz YIPJQKFTAYGEKA-HXUWFJFHSA-N 0 0 446.728 5.445 40 0 IKABRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000013507164 568787229 /nfs/dbraw/zinc/78/72/29/568787229.db2.gz CAHGCLMLTWQZNJ-QPSCWZJHSA-N 0 0 426.729 8.479 40 0 IKABRN O=C(Nc1ccc(F)cc1F)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000866945 568787503 /nfs/dbraw/zinc/78/75/03/568787503.db2.gz FPNJXFNVJLHURZ-WCQYABFASA-N 0 0 446.763 5.320 40 0 IKABRN COc1cc(/C=C/c2ccccc2)ccc1OC(=O)COc1cc(Cl)ccc1Cl ZINC000001744238 568787817 /nfs/dbraw/zinc/78/78/17/568787817.db2.gz PJWBHLCWCDULIO-BQYQJAHWSA-N 0 0 429.299 6.157 40 0 IKABRN NC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000001436699 568788247 /nfs/dbraw/zinc/78/82/47/568788247.db2.gz LMODUKIJYUJIPJ-UHFFFAOYSA-N 0 0 439.511 5.523 40 0 IKABRN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(C)cc1C 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CCC(=O)n1c(-c2ccccc2)nc2c1SC(c1ccc(Cl)cc1)=NN2C(=O)CC ZINC000016806870 569162175 /nfs/dbraw/zinc/16/21/75/569162175.db2.gz NPAASGCNUOLGGF-UHFFFAOYSA-N 0 0 438.940 5.464 40 0 IKABRN CC(=O)n1c(-c2ccc(C)cc2)nc2c1SC(c1ccc3c(c1)CCCC3)=NN2C(C)=O ZINC000016806932 569162185 /nfs/dbraw/zinc/16/21/85/569162185.db2.gz DMEZKEFPMDIRLF-UHFFFAOYSA-N 0 0 444.560 5.218 40 0 IKABRN Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(-n2cccc2)c1=S ZINC000016807203 569162276 /nfs/dbraw/zinc/16/22/76/569162276.db2.gz JFBVHGIRLXGEJC-UHFFFAOYSA-N 0 0 437.956 5.103 40 0 IKABRN Cc1cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc(Br)c1O ZINC000226243643 569177810 /nfs/dbraw/zinc/17/78/10/569177810.db2.gz QRXWLIFPSPKJKP-UHFFFAOYSA-N 0 0 449.757 5.397 40 0 IKABRN FC(F)(F)c1ccc(N2CCOCC2)c(NCc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000226240795 569177829 /nfs/dbraw/zinc/17/78/29/569177829.db2.gz MXSZJFAAQIDJSF-UHFFFAOYSA-N 0 0 436.861 6.068 40 0 IKABRN O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1ccc(Br)cc1 ZINC000226287735 569178130 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40 0 IKABRN CCOc1ccc(-c2cc(-c3ccc(OCC)cc3)cc(-c3ccc(OCC)cc3)c2)cc1 ZINC000001599718 569185483 /nfs/dbraw/zinc/18/54/83/569185483.db2.gz VYPBRCXJFCHFBE-UHFFFAOYSA-N 0 0 438.567 7.884 40 0 IKABRN COc1c(N)cc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1Br ZINC000026509195 569189324 /nfs/dbraw/zinc/18/93/24/569189324.db2.gz HQTGZDWTFAILGG-UHFFFAOYSA-N 0 0 426.108 5.227 40 0 IKABRN C[C@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000004178038 569212227 /nfs/dbraw/zinc/21/22/27/569212227.db2.gz USUKRHRKFGRIRR-FMSGJZPZSA-N 0 0 430.858 5.193 40 0 IKABRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@@H]21)[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000002944513 569212873 /nfs/dbraw/zinc/21/28/73/569212873.db2.gz DCGMIQMNIOQACA-KLCZTOMCSA-N 0 0 426.597 5.149 40 0 IKABRN O=C1C[C@H](c2nc3ccccc3n2C/C=C\c2ccccc2)CN1c1cccc(Cl)c1 ZINC000008871278 569214413 /nfs/dbraw/zinc/21/44/13/569214413.db2.gz BWIJTPOWDFCUPC-SONCPKABSA-N 0 0 427.935 5.924 40 0 IKABRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000009309920 569215253 /nfs/dbraw/zinc/21/52/53/569215253.db2.gz OXRDWATYMRNBEQ-FAELENHSSA-N 0 0 440.897 5.600 40 0 IKABRN COc1cc(C(=O)N2CC[C@@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000009594118 569215538 /nfs/dbraw/zinc/21/55/38/569215538.db2.gz LRWSGTAEMDTYPP-WPWBMXPQSA-N 0 0 443.971 5.467 40 0 IKABRN O=C(c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)N(C1CCCCC1)C1CCCCC1 ZINC000009600913 569215835 /nfs/dbraw/zinc/21/58/35/569215835.db2.gz GJAOEHUVPAJIOT-YQXZIBMNSA-N 0 0 446.591 5.106 40 0 IKABRN CC1=CC[C@@H]([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)[C@@H](C)C1 ZINC000009804830 569217066 /nfs/dbraw/zinc/21/70/66/569217066.db2.gz MNRDRZYDKZQMKN-GEQKSPFYSA-N 0 0 430.577 5.954 40 0 IKABRN O=c1c2ccccc2n2c(=S)sc(-c3ccccc3F)c2n1CCOc1ccccc1 ZINC000032975103 569217475 /nfs/dbraw/zinc/21/74/75/569217475.db2.gz SKLUKVKSGZTPFV-UHFFFAOYSA-N 0 0 448.544 5.930 40 0 IKABRN Cc1ccc2c(c1)c(=O)[nH]c1c(C(=O)Nc3cccc(C(F)(F)F)c3)sc(=S)n12 ZINC000032946502 569217541 /nfs/dbraw/zinc/21/75/41/569217541.db2.gz RZUCZHHIGMXNCD-UHFFFAOYSA-N 0 0 435.452 5.564 40 0 IKABRN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000003604132 569218395 /nfs/dbraw/zinc/21/83/95/569218395.db2.gz QYNBWFJRTOXNRP-MRXNPFEDSA-N 0 0 426.973 5.081 40 0 IKABRN CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000004104793 569218432 /nfs/dbraw/zinc/21/84/32/569218432.db2.gz NJICGAVMYWKCMW-HSUNHJJFSA-N 0 0 442.728 7.738 40 0 IKABRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000006967207 569218774 /nfs/dbraw/zinc/21/87/74/569218774.db2.gz YFDRFGDHIOEZBB-MFKUBSTISA-N 0 0 427.548 5.619 40 0 IKABRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 ZINC000008023341 569218948 /nfs/dbraw/zinc/21/89/48/569218948.db2.gz QTYFIGCUPBHXPX-OAQYLSRUSA-N 0 0 427.566 5.265 40 0 IKABRN COCc1nn2c(ncc(-c3ccc(Cl)cc3)c2N)c1-c1ccc(Br)cc1 ZINC000008730748 569218989 /nfs/dbraw/zinc/21/89/89/569218989.db2.gz NOGLRHFRNJQNKA-UHFFFAOYSA-N 0 0 443.732 5.208 40 0 IKABRN Cc1cc(C)cc(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000008480738 569219008 /nfs/dbraw/zinc/21/90/08/569219008.db2.gz AEXGPJORHBNABO-HSZRJFAPSA-N 0 0 428.576 5.005 40 0 IKABRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3Br)o2)cc1 ZINC000008812539 569219216 /nfs/dbraw/zinc/21/92/16/569219216.db2.gz BGRANHISFGGHRC-UHFFFAOYSA-N 0 0 446.370 5.527 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000008812533 569219246 /nfs/dbraw/zinc/21/92/46/569219246.db2.gz QTQJLMPIDJYALS-UHFFFAOYSA-N 0 0 431.945 5.427 40 0 IKABRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000008812508 569219267 /nfs/dbraw/zinc/21/92/67/569219267.db2.gz WNMUCCYAZFKESI-UHFFFAOYSA-N 0 0 436.364 6.072 40 0 IKABRN O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1)c1cc2ccccc2o1 ZINC000009062178 569219482 /nfs/dbraw/zinc/21/94/82/569219482.db2.gz QYXQRCMMTICBAY-UHFFFAOYSA-N 0 0 440.484 5.456 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)s2)cc1 ZINC000009062291 569219484 /nfs/dbraw/zinc/21/94/84/569219484.db2.gz CKXWMBVZBAPMBT-UHFFFAOYSA-N 0 0 444.516 5.027 40 0 IKABRN O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009063724 569219952 /nfs/dbraw/zinc/21/99/52/569219952.db2.gz UNMJPKBTGLCNNA-UHFFFAOYSA-N 0 0 438.930 6.122 40 0 IKABRN Cc1cc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)ccc1Br ZINC000009063679 569220010 /nfs/dbraw/zinc/22/00/10/569220010.db2.gz WERSPSRXTQIBMG-UHFFFAOYSA-N 0 0 439.756 5.401 40 0 IKABRN CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl ZINC000009848361 569220084 /nfs/dbraw/zinc/22/00/84/569220084.db2.gz JSZUMIQDTMJTQL-LRDDRELGSA-N 0 0 427.401 5.059 40 0 IKABRN CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 ZINC000009139631 569220129 /nfs/dbraw/zinc/22/01/29/569220129.db2.gz WODCITOTRRZENQ-UHFFFAOYSA-N 0 0 428.989 5.665 40 0 IKABRN O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1Cl ZINC000009686475 569220136 /nfs/dbraw/zinc/22/01/36/569220136.db2.gz WFSXTOJNSBRGPY-UHFFFAOYSA-N 0 0 437.504 5.205 40 0 IKABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000009665762 569220144 /nfs/dbraw/zinc/22/01/44/569220144.db2.gz IHNYRSUPAHUSPE-UHFFFAOYSA-N 0 0 435.380 5.317 40 0 IKABRN Cc1ccc(OCc2ccc(C(=O)Oc3ccccc3C(=O)Nc3ccccc3)cc2)cc1 ZINC000010039981 569220755 /nfs/dbraw/zinc/22/07/55/569220755.db2.gz IEAVVRLCPOBZCH-UHFFFAOYSA-N 0 0 437.495 6.046 40 0 IKABRN O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000010039322 569220844 /nfs/dbraw/zinc/22/08/44/569220844.db2.gz BUVIKYZZODHKDF-AWNIVKPZSA-N 0 0 447.343 5.446 40 0 IKABRN COc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)cc3)n2C)cc1OC ZINC000010041545 569220957 /nfs/dbraw/zinc/22/09/57/569220957.db2.gz IZVIPIIVQXJJNN-RQZHXJHFSA-N 0 0 444.556 5.487 40 0 IKABRN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000010042204 569221070 /nfs/dbraw/zinc/22/10/70/569221070.db2.gz ACRWEFRASNBAMA-DPDSROAVSA-N 0 0 432.564 5.408 40 0 IKABRN Cc1cccc(CCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000010110628 569221074 /nfs/dbraw/zinc/22/10/74/569221074.db2.gz ZEEIRPFGOAWWBD-HHHXNRCGSA-N 0 0 444.600 5.132 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000010119185 569221364 /nfs/dbraw/zinc/22/13/64/569221364.db2.gz JEMXZHICGPLNKA-INIZCTEOSA-N 0 0 432.907 5.328 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(C)cc(C)c2)cc1Cl ZINC000010119202 569221380 /nfs/dbraw/zinc/22/13/80/569221380.db2.gz YWIPTCYUBCYYNK-UHFFFAOYSA-N 0 0 432.907 5.707 40 0 IKABRN COc1cccc(NC(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn32)c1 ZINC000010119224 569221390 /nfs/dbraw/zinc/22/13/90/569221390.db2.gz FVXJALDJTUVMCG-UHFFFAOYSA-N 0 0 434.879 5.098 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314257 569222528 /nfs/dbraw/zinc/22/25/28/569222528.db2.gz FVMVCOWUJBFGTI-UHFFFAOYSA-N 0 0 442.540 5.007 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569223182 /nfs/dbraw/zinc/22/31/82/569223182.db2.gz GPWDSDSFXZTMIM-LJQANCHMSA-N 0 0 434.561 5.004 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 ZINC000010332180 569223345 /nfs/dbraw/zinc/22/33/45/569223345.db2.gz ZEJHDJAQLWVHCG-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1NS(C)(=O)=O ZINC000010332942 569223379 /nfs/dbraw/zinc/22/33/79/569223379.db2.gz KGQZWZNTFKADAF-UHFFFAOYSA-N 0 0 430.913 5.065 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)cc1 ZINC000010333270 569223392 /nfs/dbraw/zinc/22/33/92/569223392.db2.gz QXDBIQPUFCMZNO-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C ZINC000010363335 569223862 /nfs/dbraw/zinc/22/38/62/569223862.db2.gz AGJNKQLQZSYRBK-UHFFFAOYSA-N 0 0 440.590 5.220 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 ZINC000010370960 569224060 /nfs/dbraw/zinc/22/40/60/569224060.db2.gz XJIJSEAGGOGDSM-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(F)(F)F ZINC000010372398 569224165 /nfs/dbraw/zinc/22/41/65/569224165.db2.gz LPYXUHWQRJJZDS-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000010372418 569224180 /nfs/dbraw/zinc/22/41/80/569224180.db2.gz OGPFHLSEPYKDQI-UHFFFAOYSA-N 0 0 426.563 5.078 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000010372198 569224186 /nfs/dbraw/zinc/22/41/86/569224186.db2.gz HSYYOEXPSMRQKA-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000010433959 569224263 /nfs/dbraw/zinc/22/42/63/569224263.db2.gz IJJRUUHYKUDHHA-UHFFFAOYSA-N 0 0 428.941 5.021 40 0 IKABRN Clc1ccc(-c2nnc(SCc3ccc(I)cc3)o2)cc1 ZINC000010475552 569224380 /nfs/dbraw/zinc/22/43/80/569224380.db2.gz TUGYVLUHTZRMCG-UHFFFAOYSA-N 0 0 428.682 5.287 40 0 IKABRN Cc1cc(Br)cc(C)c1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000010779459 569224641 /nfs/dbraw/zinc/22/46/41/569224641.db2.gz 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Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c(C)c1 ZINC000028208692 569242774 /nfs/dbraw/zinc/24/27/74/569242774.db2.gz LNLBJCUOHBQJSN-UHFFFAOYSA-N 0 0 448.588 5.016 40 0 IKABRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc2ccccc2c1 ZINC000028358832 569243289 /nfs/dbraw/zinc/24/32/89/569243289.db2.gz VRTVCHWQZRFAEO-UHFFFAOYSA-N 0 0 437.524 5.270 40 0 IKABRN O=C(CSc1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000032693173 569243548 /nfs/dbraw/zinc/24/35/48/569243548.db2.gz PRERBSLABVSOQW-UHFFFAOYSA-N 0 0 446.494 5.426 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2cccc(Br)c2)cc1OCc1ccccc1 ZINC000033363699 569243559 /nfs/dbraw/zinc/24/35/59/569243559.db2.gz PAQATBVEWQPAEH-UHFFFAOYSA-N 0 0 446.728 5.942 40 0 IKABRN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccccc1 ZINC000032685440 569243566 /nfs/dbraw/zinc/24/35/66/569243566.db2.gz HOEBIAZOJYLRKV-UHFFFAOYSA-N 0 0 444.560 5.291 40 0 IKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC ZINC000033382328 569243681 /nfs/dbraw/zinc/24/36/81/569243681.db2.gz 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569285114 /nfs/dbraw/zinc/28/51/14/569285114.db2.gz FTZHQRVJEVTLFH-UHFFFAOYSA-N 0 0 446.904 6.148 40 0 IKABRN FC(F)(F)c1ccc(Nc2cc(C3CC3)nc(NC3CCCC3)n2)c(Br)c1 ZINC000328969458 569285124 /nfs/dbraw/zinc/28/51/24/569285124.db2.gz DEIZDVVORCEGPQ-UHFFFAOYSA-N 0 0 441.295 5.077 40 0 IKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccccc3Cl)nc(NC3CCCC3)n2)c1 ZINC000328968965 569285130 /nfs/dbraw/zinc/28/51/30/569285130.db2.gz DBNHXIZERJMESD-UHFFFAOYSA-N 0 0 448.876 5.638 40 0 IKABRN Cc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c1C ZINC000328965289 569285138 /nfs/dbraw/zinc/28/51/38/569285138.db2.gz CCUWTNMRLMNCHE-UHFFFAOYSA-N 0 0 442.485 5.601 40 0 IKABRN CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000328979596 569285153 /nfs/dbraw/zinc/28/51/53/569285153.db2.gz GHFNCYQYGCRQMY-UHFFFAOYSA-N 0 0 448.876 5.897 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2c(F)cccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328975982 569285156 /nfs/dbraw/zinc/28/51/56/569285156.db2.gz FMUDDVHNKINMDG-LBPRGKRZSA-N 0 0 438.400 5.118 40 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Cc1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329016421 569285448 /nfs/dbraw/zinc/28/54/48/569285448.db2.gz NGDMTWYWVWHNKC-UHFFFAOYSA-N 0 0 434.849 5.643 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2c(C)cc(Br)cc2C)cc(-c2ccccc2)n1 ZINC000329030373 569285470 /nfs/dbraw/zinc/28/54/70/569285470.db2.gz QDZOMNKFFXQXBE-INIZCTEOSA-N 0 0 425.374 5.321 40 0 IKABRN FC(F)(F)c1cc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)ccc1Cl ZINC000329062189 569285532 /nfs/dbraw/zinc/28/55/32/569285532.db2.gz WVLSFIMDVXAKCX-UHFFFAOYSA-N 0 0 433.865 5.153 40 0 IKABRN FC(F)(F)c1cccc(Cl)c1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000329043646 569285538 /nfs/dbraw/zinc/28/55/38/569285538.db2.gz STGAVLLPPQNFBO-UHFFFAOYSA-N 0 0 447.892 5.543 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329060231 569285547 /nfs/dbraw/zinc/28/55/47/569285547.db2.gz WKMIRPSANPWCBA-ZDUSSCGKSA-N 0 0 436.865 5.493 40 0 IKABRN CC[C@@H](C)Nc1nc(Nc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329060228 569285591 /nfs/dbraw/zinc/28/55/91/569285591.db2.gz WKMIRPSANPWCBA-CYBMUJFWSA-N 0 0 436.865 5.493 40 0 IKABRN FC(F)(F)Sc1cccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c1 ZINC000329045976 569285600 /nfs/dbraw/zinc/28/56/00/569285600.db2.gz TYSYQJOUPJGCKL-UHFFFAOYSA-N 0 0 444.526 6.088 40 0 IKABRN COc1ccc(C(F)(F)F)cc1Nc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000329068961 569285694 /nfs/dbraw/zinc/28/56/94/569285694.db2.gz YSWNMCLIBCBIFR-UHFFFAOYSA-N 0 0 447.766 6.009 40 0 IKABRN FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NCc3ccccc3)nc(C3CC3)n1)CC2 ZINC000329069342 569285751 /nfs/dbraw/zinc/28/57/51/569285751.db2.gz YVZZAZQSRKCYCY-UHFFFAOYSA-N 0 0 440.469 5.427 40 0 IKABRN CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000329067379 569285765 /nfs/dbraw/zinc/28/57/65/569285765.db2.gz YIJZQZUUPWEUBZ-UHFFFAOYSA-N 0 0 436.987 5.787 40 0 IKABRN CCOC(=O)/C=C/c1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000062715585 569288623 /nfs/dbraw/zinc/28/86/23/569288623.db2.gz NQAILKOGDQVYCK-MDZDMXLPSA-N 0 0 439.733 5.657 40 0 IKABRN CCOc1cc(/C=C/C(=O)OC)cc(Br)c1OCc1ccccc1Cl ZINC000062715584 569288705 /nfs/dbraw/zinc/28/87/05/569288705.db2.gz NYKKNAZQXSFPNZ-CMDGGOBGSA-N 0 0 425.706 5.266 40 0 IKABRN COc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1OC ZINC000008783004 569290626 /nfs/dbraw/zinc/29/06/26/569290626.db2.gz UZKKISHLGSPWQX-HSZRJFAPSA-N 0 0 435.539 6.567 40 0 IKABRN C[C@@]1(c2ccccc2)CC(n2c3ccccc3c3ccccc32)=[NH+]C(SCC(=O)[O-])=N1 ZINC000008856015 569291263 /nfs/dbraw/zinc/29/12/63/569291263.db2.gz XZYLZFUUIXGASZ-VWLOTQADSA-N 0 0 427.529 5.534 40 0 IKABRN Cc1[nH]nc2c1C(c1ccc(N(C)C)cc1)c1c(C)[nH]nc1N2c1ccc(F)c(Cl)c1 ZINC000008863461 569291512 /nfs/dbraw/zinc/29/15/12/569291512.db2.gz SBHLHDHMDHZEMP-UHFFFAOYSA-N 0 0 436.922 5.572 40 0 IKABRN COc1ccc(Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)s2)cc1 ZINC000008871585 569291644 /nfs/dbraw/zinc/29/16/44/569291644.db2.gz SHPLBBDGCCFNIZ-UHFFFAOYSA-N 0 0 441.365 5.328 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(CO)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000077293565 569293257 /nfs/dbraw/zinc/29/32/57/569293257.db2.gz ZUYKAEVLUWUNMD-PPISAJTKSA-N 0 0 444.700 6.932 40 0 in-vitro IKABRN O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 ZINC000009371832 569295949 /nfs/dbraw/zinc/29/59/49/569295949.db2.gz VAYQBXMHMLTKPN-YQXZIBMNSA-N 0 0 437.495 5.108 40 0 IKABRN Cc1ccc([C@H](O)[P@@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000009375500 569295963 /nfs/dbraw/zinc/29/59/63/569295963.db2.gz YWKQZWIISXPLLT-SVQPFCLWSA-N 0 0 443.568 6.133 40 0 IKABRN CC[C@@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc43)OC(=O)[C@@]21C(=O)c1ccccc1 ZINC000009430391 569296380 /nfs/dbraw/zinc/29/63/80/569296380.db2.gz UCPJDYCVQGWTTI-ARVREXMNSA-N 0 0 446.502 6.005 40 0 IKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000070664510 569315179 /nfs/dbraw/zinc/31/51/79/569315179.db2.gz KEOLCBLQBIWDBI-UCNRGEJTSA-N 0 0 446.672 5.155 40 0 biogenic IKABRN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1nn(Cc2c(F)cccc2Cl)cc1Br ZINC000019632554 569324466 /nfs/dbraw/zinc/32/44/66/569324466.db2.gz LFXJNFCJVQGAAZ-XQQFMLRXSA-N 0 0 440.744 5.251 40 0 IKABRN Cc1cccc(Cn2c3c(-c4cccc(Cl)c4)sc(=S)n3c3ccccc3c2=O)c1 ZINC000020378690 569362523 /nfs/dbraw/zinc/36/25/23/569362523.db2.gz DLRSORMOXKLKBO-UHFFFAOYSA-N 0 0 449.000 6.722 40 0 IKABRN Cc1c2ccccc2oc1-c1nnc2sc(/C=C/c3ccc(Cl)cc3Cl)nn21 ZINC000096194383 569386172 /nfs/dbraw/zinc/38/61/72/569386172.db2.gz XZBYRKJLLIMDPB-VQHVLOKHSA-N 0 0 427.316 6.385 40 0 IKABRN c1c2ccccc2oc1-c1nnc2sc(-c3cccc4nc(-c5ccccc5)ccc43)nn21 ZINC000096194019 569386206 /nfs/dbraw/zinc/38/62/06/569386206.db2.gz DRNRNBDKKQTBBS-UHFFFAOYSA-N 0 0 445.507 6.481 40 0 IKABRN Cc1c2ccccc2oc1-c1nnc2sc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn21 ZINC000096194108 569386223 /nfs/dbraw/zinc/38/62/23/569386223.db2.gz UPVQELVYDFTHTL-UHFFFAOYSA-N 0 0 444.604 7.169 40 0 IKABRN C[C@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@]1(C)C[C@@H](Cc1ccccc1)[C@H]2O ZINC000242495351 569396301 /nfs/dbraw/zinc/39/63/01/569396301.db2.gz GCLTXTVXGOMTNM-IAFMSYLFSA-N 0 0 438.696 6.780 40 0 IKABRN Cn1c2cc(NC(=O)c3ccc(F)cc3)c(Sc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000028049061 569406557 /nfs/dbraw/zinc/40/65/57/569406557.db2.gz UIBPPBMMVQFCCK-UHFFFAOYSA-N 0 0 441.915 5.073 40 0 IKABRN O=C([O-])C1CC[NH+](Cc2c(-c3ccc(-c4ccccc4)cc3)nc3ccc(Cl)cn32)CC1 ZINC000002528857 569407776 /nfs/dbraw/zinc/40/77/76/569407776.db2.gz NGLHSHVFFKGHCX-UHFFFAOYSA-N 0 0 445.950 5.618 40 0 IKABRN CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)c1cccc(Cl)c1 ZINC000028284617 569409524 /nfs/dbraw/zinc/40/95/24/569409524.db2.gz MQXVJOIUBOJJIU-UHFFFAOYSA-N 0 0 429.925 5.896 40 0 IKABRN O=C(Nc1cccc(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1ccc(Cl)cc1 ZINC000028527538 569410593 /nfs/dbraw/zinc/41/05/93/569410593.db2.gz WYUHLLBJSSCHCL-UHFFFAOYSA-N 0 0 430.339 5.550 40 0 IKABRN CC(C)(C)c1ccc(SCc2nn(CN3CCCCC3)c(=O)n2-c2ccccc2)cc1 ZINC000028527434 569410623 /nfs/dbraw/zinc/41/06/23/569410623.db2.gz ZOYMXKYHKLMHDA-UHFFFAOYSA-N 0 0 436.625 5.067 40 0 IKABRN Cc1c(Cl)cccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1cccc(Cl)c1 ZINC000028527598 569410733 /nfs/dbraw/zinc/41/07/33/569410733.db2.gz IFPSRIFYCMZTDN-UHFFFAOYSA-N 0 0 444.366 5.858 40 0 IKABRN Cc1cccc(-c2nn(-c3cc(Cl)ccc3Cl)c(-c3cccc(C)c3)c2Cl)c1 ZINC000002733486 569419666 /nfs/dbraw/zinc/41/96/66/569419666.db2.gz JUIQBKXRFAXKIR-UHFFFAOYSA-N 0 0 427.762 7.783 40 0 IKABRN CCCOc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)c2C(=O)OC)cc1 ZINC000002889673 569424366 /nfs/dbraw/zinc/42/43/66/569424366.db2.gz MTUNFKOHKQAHGL-UHFFFAOYSA-N 0 0 429.925 5.896 40 0 IKABRN Cc1nc2ccccn2c1-c1nnc2sc(C=C(c3ccccc3)c3ccccc3)nn21 ZINC000227143718 569431545 /nfs/dbraw/zinc/43/15/45/569431545.db2.gz SJLIZNXZFBFGJG-UHFFFAOYSA-N 0 0 434.528 5.398 40 0 IKABRN c1ccc2sc(SN(Sc3nc4ccccc4s3)C3CCCCC3)nc2c1 ZINC000003029045 569436541 /nfs/dbraw/zinc/43/65/41/569436541.db2.gz WLYQQMMSTRZVRV-UHFFFAOYSA-N 0 0 429.661 7.255 40 0 IKABRN COC(=O)CCc1ccc2c(c1)CCCN2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000217775875 569453036 /nfs/dbraw/zinc/45/30/36/569453036.db2.gz RISAUKRBELGCBI-UHFFFAOYSA-N 0 0 441.527 5.494 40 0 IKABRN COc1ccc(-c2nc(-c3ccccc3)cc3sc(C(=O)c4ccccc4)c(N)c32)cc1 ZINC000008742318 569472926 /nfs/dbraw/zinc/47/29/26/569472926.db2.gz JOEZOTXEQZNJII-UHFFFAOYSA-N 0 0 436.536 6.452 40 0 IKABRN O=C(Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc12)c1ccccc1 ZINC000008765676 569474791 /nfs/dbraw/zinc/47/47/91/569474791.db2.gz LAZYHQKRKBRHCC-UHFFFAOYSA-N 0 0 437.904 5.513 40 0 IKABRN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc2c4c(cccc41)C(=O)N2)C[C@@H](C)CC3 ZINC000008870434 569480673 /nfs/dbraw/zinc/48/06/73/569480673.db2.gz GQRSUVHCFAIHHU-ZDUSSCGKSA-N 0 0 446.528 5.386 40 0 IKABRN COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1C ZINC000041076837 569526535 /nfs/dbraw/zinc/52/65/35/569526535.db2.gz SQFADCZXNGTOPZ-UHFFFAOYSA-N 0 0 431.561 5.441 40 0 IKABRN Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)NCc1ccc(Cl)cc1 ZINC000041076849 569526539 /nfs/dbraw/zinc/52/65/39/569526539.db2.gz AEZGDHFKXWLRHO-UHFFFAOYSA-N 0 0 435.980 5.455 40 0 IKABRN CSc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)c1 ZINC000041076841 569526552 /nfs/dbraw/zinc/52/65/52/569526552.db2.gz JQDCNNGQXVYZCB-UHFFFAOYSA-N 0 0 433.602 5.846 40 0 IKABRN Cc1cccc(Cn2c3ccccc3nc2SCC(=O)NCc2ccccc2Cl)c1 ZINC000041076830 569526557 /nfs/dbraw/zinc/52/65/57/569526557.db2.gz YNCAFAVUPWGVSN-UHFFFAOYSA-N 0 0 435.980 5.455 40 0 IKABRN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)c(Cl)c1 ZINC000041076872 569526575 /nfs/dbraw/zinc/52/65/75/569526575.db2.gz GCCXQEQWXIQRKY-UHFFFAOYSA-N 0 0 439.943 5.916 40 0 IKABRN Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)Oc1ccc(C(C)C)cc1 ZINC000041076853 569526576 /nfs/dbraw/zinc/52/65/76/569526576.db2.gz CKFIPVBPHMENRC-UHFFFAOYSA-N 0 0 430.573 6.214 40 0 IKABRN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)Oc1ccccc1Cl ZINC000041076864 569526578 /nfs/dbraw/zinc/52/65/78/569526578.db2.gz AMVKTQCWRJYTCY-UHFFFAOYSA-N 0 0 426.900 5.575 40 0 IKABRN Cc1cc([C@]2(c3cc(C(C)C)c(O)cc3C)OC(=O)c3ccccc32)c(C(C)C)cc1O ZINC000390822327 569533422 /nfs/dbraw/zinc/53/34/22/569533422.db2.gz GRBHJPCWQRVGND-NDEPHWFRSA-N 0 0 430.544 6.424 40 0 IKABRN CC(C)(C)Nc1nc(Nc2cc(F)ccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329049519 569582936 /nfs/dbraw/zinc/58/29/36/569582936.db2.gz UOZWNSCTGWKUOQ-UHFFFAOYSA-N 0 0 438.400 6.274 40 0 IKABRN CC(C)(C)Nc1nc(Nc2ccc(F)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329070823 569582955 /nfs/dbraw/zinc/58/29/55/569582955.db2.gz ZJXBLDNAYVRSRU-UHFFFAOYSA-N 0 0 438.400 6.274 40 0 IKABRN CC(C)(C)Nc1nc(Nc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966998 569582984 /nfs/dbraw/zinc/58/29/84/569582984.db2.gz CQJCGXXKYZMTBX-UHFFFAOYSA-N 0 0 436.865 6.650 40 0 IKABRN Fc1ccc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)c(Br)c1 ZINC000329000661 569582992 /nfs/dbraw/zinc/58/29/92/569582992.db2.gz KAVQMFZHQQRAQG-UHFFFAOYSA-N 0 0 446.629 6.461 40 0 IKABRN CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329010255 569582993 /nfs/dbraw/zinc/58/29/93/569582993.db2.gz MAGCFMGYFVETRB-UHFFFAOYSA-N 0 0 437.853 6.045 40 0 IKABRN CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329044973 569583010 /nfs/dbraw/zinc/58/30/10/569583010.db2.gz SZMVVOYLOASIIB-UHFFFAOYSA-N 0 0 437.853 6.045 40 0 IKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(CCCC)cc3s2)c1 ZINC000032118637 569583613 /nfs/dbraw/zinc/58/36/13/569583613.db2.gz QBNBNYOGENSPNX-UHFFFAOYSA-N 0 0 441.622 5.945 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccc(CC)cc3)sc2c1 ZINC000032119052 569583622 /nfs/dbraw/zinc/58/36/22/569583622.db2.gz HRZZZQSUIJDXOV-UHFFFAOYSA-N 0 0 427.595 5.093 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccc(C)c(C)c3)sc2c1 ZINC000032118821 569583631 /nfs/dbraw/zinc/58/36/31/569583631.db2.gz HGZZNSLKUYLXMO-UHFFFAOYSA-N 0 0 427.595 5.148 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccc(Cl)cc3)sc2c1 ZINC000032118778 569583634 /nfs/dbraw/zinc/58/36/34/569583634.db2.gz SQKTXKOYOBSHQD-UHFFFAOYSA-N 0 0 433.986 5.184 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(O[C@H](C)CC)c3)sc2c1 ZINC000032118972 569583670 /nfs/dbraw/zinc/58/36/70/569583670.db2.gz LLXZAMXQCFQGLW-OAHLLOKOSA-N 0 0 441.622 5.943 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)sc2c1 ZINC000032118858 569583711 /nfs/dbraw/zinc/58/37/11/569583711.db2.gz NAQMOJXPSWNIJR-UHFFFAOYSA-N 0 0 441.622 5.801 40 0 IKABRN CCCOc1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000032127418 569583851 /nfs/dbraw/zinc/58/38/51/569583851.db2.gz WSXRXCIMDIMPID-UHFFFAOYSA-N 0 0 440.377 5.519 40 0 IKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)ccc1C(C)C ZINC000328960589 569583985 /nfs/dbraw/zinc/58/39/85/569583985.db2.gz AZIYBZDGQDEJHZ-UHFFFAOYSA-N 0 0 442.485 6.792 40 0 IKABRN CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329071773 569583998 /nfs/dbraw/zinc/58/39/98/569583998.db2.gz ZSNOBWYGJKSOKA-UHFFFAOYSA-N 0 0 440.372 5.819 40 0 IKABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329066909 569584085 /nfs/dbraw/zinc/58/40/85/569584085.db2.gz YEPVMEYPJDQCCP-FQEVSTJZSA-N 0 0 430.474 5.643 40 0 IKABRN Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)c1 ZINC000328964914 569584411 /nfs/dbraw/zinc/58/44/11/569584411.db2.gz BYCXDPYQOBECSW-UHFFFAOYSA-N 0 0 430.474 6.173 40 0 IKABRN CCOc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)cc1 ZINC000329022660 569584579 /nfs/dbraw/zinc/58/45/79/569584579.db2.gz OOTBKKPPXGAYOU-UHFFFAOYSA-N 0 0 432.446 6.005 40 0 IKABRN COc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)(C)C)n1 ZINC000329071271 569584853 /nfs/dbraw/zinc/58/48/53/569584853.db2.gz ZOGKMEPTCWLXHN-UHFFFAOYSA-N 0 0 432.446 6.005 40 0 IKABRN Clc1cc(Nc2ccc(I)cc2Cl)nc(-c2ccccc2)n1 ZINC000329009636 569585063 /nfs/dbraw/zinc/58/50/63/569585063.db2.gz LWBKXTKBYFVQSY-UHFFFAOYSA-N 0 0 442.087 5.799 40 0 IKABRN Clc1ccc(NN=c2cc(-c3ccccc3)nc(NC3CCCCC3)[nH]2)c(Cl)c1 ZINC000329071932 569585071 /nfs/dbraw/zinc/58/50/71/569585071.db2.gz ZTURHYXNAALCSM-UHFFFAOYSA-N 0 0 428.367 6.634 40 0 IKABRN CC(=O)N[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC[C@@H]12 ZINC000118913894 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IKABRN CCc1ccc(NC(=O)NC[C@H]2CCC[C@H](CNC(=O)Nc3ccc(CC)cc3)C2)cc1 ZINC000016161780 523985001 /nfs/dbraw/zinc/98/50/01/523985001.db2.gz LXDWSADKYAPPFI-VXKWHMMOSA-N 0 0 436.600 5.561 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 ZINC000016161944 523995388 /nfs/dbraw/zinc/99/53/88/523995388.db2.gz VTZQVFXEUHMHRS-FNUHDPNESA-N 0 0 445.371 6.415 40 0 IKABRN COc1ccc(CN(C)C(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OC ZINC000044886338 523999649 /nfs/dbraw/zinc/99/96/49/523999649.db2.gz NECALCWJYNMFDL-UHFFFAOYSA-N 0 0 425.912 5.208 40 0 IKABRN CCc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c(Br)c1 ZINC000020489720 524004524 /nfs/dbraw/zinc/00/45/24/524004524.db2.gz CYLISUDDOOFXBY-XMMPIXPASA-N 0 0 438.365 5.605 40 0 IKABRN CCc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c(Br)c1 ZINC000020489718 524004573 /nfs/dbraw/zinc/00/45/73/524004573.db2.gz CYLISUDDOOFXBY-DEOSSOPVSA-N 0 0 438.365 5.605 40 0 IKABRN COc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 ZINC000012644252 524013350 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COc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000022076751 524072404 /nfs/dbraw/zinc/07/24/04/524072404.db2.gz KWGKFIHTBQQCHO-UHFFFAOYSA-N 0 0 446.772 5.980 40 0 IKABRN Cc1cccc(-c2noc(CN(CC(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)c1 ZINC000022256892 524131124 /nfs/dbraw/zinc/13/11/24/524131124.db2.gz SFHUBVPRSJAIJP-UHFFFAOYSA-N 0 0 427.570 5.015 40 0 IKABRN Cc1cccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)c1 ZINC000022256907 524132286 /nfs/dbraw/zinc/13/22/86/524132286.db2.gz PHJPTTIXCWFZIN-UHFFFAOYSA-N 0 0 439.581 5.302 40 0 IKABRN Cc1cccc(-n2nc3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3n2)c1 ZINC000016349923 524146879 /nfs/dbraw/zinc/14/68/79/524146879.db2.gz OFXDYTPILLZPAC-UHFFFAOYSA-N 0 0 441.716 5.397 40 0 IKABRN Cc1cc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)n(C)n1 ZINC000012446034 524179929 /nfs/dbraw/zinc/17/99/29/524179929.db2.gz LLPGAVVJDMHTMY-UHFFFAOYSA-N 0 0 428.279 5.005 40 0 IKABRN COc1cccc2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc(-c3ccccc3)nc12 ZINC000012486332 524200817 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/nfs/dbraw/zinc/35/03/95/524350395.db2.gz JONYSCYPLYVJLP-UHFFFAOYSA-N 0 0 430.939 6.134 40 0 IKABRN Cc1cc(C)c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000012644420 524350856 /nfs/dbraw/zinc/35/08/56/524350856.db2.gz LWLFIDKYEJTGJH-UHFFFAOYSA-N 0 0 432.470 5.266 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3ccccc3F)cc2c1 ZINC000035290188 524351909 /nfs/dbraw/zinc/35/19/09/524351909.db2.gz AYVSOSRZVRXYRV-UHFFFAOYSA-N 0 0 433.914 5.882 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3C)cc2c1 ZINC000035290190 524352779 /nfs/dbraw/zinc/35/27/79/524352779.db2.gz CQPVWBGPPLOOER-UHFFFAOYSA-N 0 0 444.966 6.443 40 0 IKABRN Cc1ccc(CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000044905074 524380072 /nfs/dbraw/zinc/38/00/72/524380072.db2.gz BWNZKPQSTVTRPM-UHFFFAOYSA-N 0 0 442.968 5.030 40 0 IKABRN Cc1ccc(CN(C)C(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000020458999 524382552 /nfs/dbraw/zinc/38/25/52/524382552.db2.gz JDHYSGJKPVDBLA-MHZLTWQESA-N 0 0 444.600 5.084 40 0 IKABRN Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2ccccc2C)cc1 ZINC000012493846 524417848 /nfs/dbraw/zinc/41/78/48/524417848.db2.gz LQBSNZWVBPKCOT-UHFFFAOYSA-N 0 0 442.990 6.964 40 0 IKABRN Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(Cl)cc2)C4)c1 ZINC000020632534 524465062 /nfs/dbraw/zinc/46/50/62/524465062.db2.gz PVNHJWRDWHZURS-KRWDZBQOSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(C(C)C)cc2)C4)c1 ZINC000020671715 524465071 /nfs/dbraw/zinc/46/50/71/524465071.db2.gz UYHQRJDQVQBAPS-NRFANRHFSA-N 0 0 442.588 5.761 40 0 IKABRN C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@@H]2CCCC[C@H]12 ZINC000033935957 524483314 /nfs/dbraw/zinc/48/33/14/524483314.db2.gz QYXSLVBHLXGBFP-CKEIUWERSA-N 0 0 432.446 5.049 40 0 IKABRN COc1ccccc1NC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)C(C)(C)O2 ZINC000012875633 524628154 /nfs/dbraw/zinc/62/81/54/524628154.db2.gz SBAYRYHIPZKLAH-UHFFFAOYSA-N 0 0 444.531 5.269 40 0 IKABRN Cc1ccc(CSCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000020495377 524644569 /nfs/dbraw/zinc/64/45/69/524644569.db2.gz UCNXSBFAWZFRAF-UHFFFAOYSA-N 0 0 430.617 5.611 40 0 IKABRN COc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C(C)C)nn3c2C)cc1 ZINC000020797853 524659860 /nfs/dbraw/zinc/65/98/60/524659860.db2.gz JYHZSCIMCLPZML-UHFFFAOYSA-N 0 0 435.915 5.137 40 0 IKABRN Cc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020448466 524660410 /nfs/dbraw/zinc/66/04/10/524660410.db2.gz GYDZQVPJWCNFHJ-MRXNPFEDSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1cccc(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1C ZINC000012878392 524666549 /nfs/dbraw/zinc/66/65/49/524666549.db2.gz UDMIYXPAQZPTMZ-UHFFFAOYSA-N 0 0 443.041 5.599 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)c1 ZINC000015412481 524691569 /nfs/dbraw/zinc/69/15/69/524691569.db2.gz LMOGJPBAVFBZJC-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(Cl)cc1N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc32)CC1 ZINC000012639240 524737324 /nfs/dbraw/zinc/73/73/24/524737324.db2.gz VZBCOCMLZBHQPI-UHFFFAOYSA-N 0 0 439.947 5.181 40 0 IKABRN COc1ccc(OC)c(-c2csc3nnc(SCC(=O)c4ccc(Cl)cc4)n23)c1 ZINC000012878920 524795349 /nfs/dbraw/zinc/79/53/49/524795349.db2.gz YLCOGBGCLMRCTR-UHFFFAOYSA-N 0 0 445.953 5.103 40 0 IKABRN C[C@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000035944091 524799775 /nfs/dbraw/zinc/79/97/75/524799775.db2.gz YXOHRYLHCVUPMD-YHDSQAASSA-N 0 0 442.648 6.359 40 0 IKABRN Cc1cccc([C@@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000020970429 524841539 /nfs/dbraw/zinc/84/15/39/524841539.db2.gz IQPXAYLMJNWCGU-HSZRJFAPSA-N 0 0 428.923 5.926 40 0 IKABRN Cc1ccccc1C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000012237245 525043329 /nfs/dbraw/zinc/04/33/29/525043329.db2.gz CPRDHBXICDKFNG-UHFFFAOYSA-N 0 0 431.561 5.084 40 0 IKABRN C[C@H]1S[C@]2(c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)N(c2ccccc2)C1=O ZINC000012416977 525075983 /nfs/dbraw/zinc/07/59/83/525075983.db2.gz SLPJSAAXEJANRA-GYCJOSAFSA-N 0 0 434.948 5.208 40 0 IKABRN COc1ccc(S[C@@H](CC(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1OC ZINC000016291785 525109054 /nfs/dbraw/zinc/10/90/54/525109054.db2.gz OWZFSRXYHIANBC-DEOSSOPVSA-N 0 0 426.965 6.772 40 0 IKABRN Cc1ccccc1CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(Cl)cc1 ZINC000012643769 525109293 /nfs/dbraw/zinc/10/92/93/525109293.db2.gz IDTJZQSGCGUYEI-UHFFFAOYSA-N 0 0 444.962 5.683 40 0 IKABRN Cc1ccc(NC(=O)N(CC(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 ZINC000012321020 525115327 /nfs/dbraw/zinc/11/53/27/525115327.db2.gz FFZPKBOIZNYVTR-NDIWIEOSSA-N 0 0 426.601 5.920 40 0 IKABRN Cc1ccc(NC(=O)N(CC(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 ZINC000012321019 525116271 /nfs/dbraw/zinc/11/62/71/525116271.db2.gz FFZPKBOIZNYVTR-IATMXGELSA-N 0 0 426.601 5.920 40 0 IKABRN Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 ZINC000020671784 525188425 /nfs/dbraw/zinc/18/84/25/525188425.db2.gz QJLPEUWBDVDUMI-OAQYLSRUSA-N 0 0 442.588 5.761 40 0 IKABRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797418 525215291 /nfs/dbraw/zinc/21/52/91/525215291.db2.gz DNWLRSWAHGVDHK-HSZRJFAPSA-N 0 0 444.922 5.626 40 0 IKABRN COc1ccc([C@@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020970405 525215956 /nfs/dbraw/zinc/21/59/56/525215956.db2.gz GCONFLOQGLHSPI-HSZRJFAPSA-N 0 0 444.922 5.626 40 0 IKABRN Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020448472 525243069 /nfs/dbraw/zinc/24/30/69/525243069.db2.gz GANGVPDHWUNMCZ-INIZCTEOSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448464 525264550 /nfs/dbraw/zinc/26/45/50/525264550.db2.gz YZZVRMOYTGETHA-INIZCTEOSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1ccc(NC(=S)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c(C)c1 ZINC000012877504 525266724 /nfs/dbraw/zinc/26/67/24/525266724.db2.gz URBQVAVUZCHLQI-UHFFFAOYSA-N 0 0 426.586 5.085 40 0 IKABRN COc1ccc([C@@]23Oc4ccccc4[C@H](c4ccc(C)cc4)[C@@H]2C3(Cl)Cl)cc1OC ZINC000012318514 525285222 /nfs/dbraw/zinc/28/52/22/525285222.db2.gz LVZMIAHNYYARKX-KMDXXIMOSA-N 0 0 441.354 6.236 40 0 IKABRN C[C@@H](NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000012844735 525285975 /nfs/dbraw/zinc/28/59/75/525285975.db2.gz NAHSPFVPZUIBTN-CABCVRRESA-N 0 0 431.483 5.520 40 0 IKABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 ZINC000012478588 525287938 /nfs/dbraw/zinc/28/79/38/525287938.db2.gz NKDOSSWHAVMTBZ-RUZDIDTESA-N 0 0 446.547 5.121 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)cc1C ZINC000020459614 525295377 /nfs/dbraw/zinc/29/53/77/525295377.db2.gz YQJSDUDCYRIBDL-SFHVURJKSA-N 0 0 440.540 5.043 40 0 IKABRN Cc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1C ZINC000041076888 525367784 /nfs/dbraw/zinc/36/77/84/525367784.db2.gz RZBVVCFTJLOIOE-UHFFFAOYSA-N 0 0 436.964 6.053 40 0 IKABRN COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000225703902 525517502 /nfs/dbraw/zinc/51/75/02/525517502.db2.gz BZLWFKYVCNJUOF-KRWDZBQOSA-N 0 0 425.779 5.475 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCNc3cccc(Cl)c3)cc2)cc1 ZINC000012461864 525598565 /nfs/dbraw/zinc/59/85/65/525598565.db2.gz WAJHOHHMMBTRDU-UHFFFAOYSA-N 0 0 428.941 5.134 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c2)cc1 ZINC000022524792 525599376 /nfs/dbraw/zinc/59/93/76/525599376.db2.gz SUKIFUFVMAYOTI-UHFFFAOYSA-N 0 0 442.968 5.825 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000020460847 525600440 /nfs/dbraw/zinc/60/04/40/525600440.db2.gz FBTOSDXASAIUNA-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCCCC3)c2)cc1 ZINC000020483942 525603119 /nfs/dbraw/zinc/60/31/19/525603119.db2.gz PFDAJOVTVGOKBA-UHFFFAOYSA-N 0 0 434.989 5.292 40 0 IKABRN Cc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3F)c(Cl)nc2cc1C ZINC000035290982 525637497 /nfs/dbraw/zinc/63/74/97/525637497.db2.gz VQPLYKLDXAEKKD-UHFFFAOYSA-N 0 0 448.929 6.273 40 0 IKABRN Cc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3C)c(Cl)nc2cc1C ZINC000012493880 525638867 /nfs/dbraw/zinc/63/88/67/525638867.db2.gz HELYGKLJFTWJFV-UHFFFAOYSA-N 0 0 444.966 6.443 40 0 IKABRN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnc2c(-c3ccccc3)c(C(C)C)nn21 ZINC000020797839 525659749 /nfs/dbraw/zinc/65/97/49/525659749.db2.gz RJFZFKGAGICGIL-UHFFFAOYSA-N 0 0 439.441 5.494 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2ccc(-c3ccccc3)[nH]2)C2CCCC2)o1 ZINC000012715415 525676478 /nfs/dbraw/zinc/67/64/78/525676478.db2.gz DSUIKWINIRPXHX-DEOSSOPVSA-N 0 0 447.579 5.624 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 ZINC000012478412 525678515 /nfs/dbraw/zinc/67/85/15/525678515.db2.gz QIYPAYYTGDZAIK-VWLOTQADSA-N 0 0 430.548 5.421 40 0 IKABRN Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)[C@H](C)c4ccccc4)CC3)c12 ZINC000012133574 525680319 /nfs/dbraw/zinc/68/03/19/525680319.db2.gz DZABOZBDSFPOJQ-LJQANCHMSA-N 0 0 446.595 5.337 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000020611004 525687895 /nfs/dbraw/zinc/68/78/95/525687895.db2.gz 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ZINC000022258504 526173162 /nfs/dbraw/zinc/17/31/62/526173162.db2.gz LKOHSOLACGDZDU-UHFFFAOYSA-N 0 0 430.729 6.242 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225337936 526174276 /nfs/dbraw/zinc/17/42/76/526174276.db2.gz MKQRBZKKXZLVIT-PHCAOYFPSA-N 0 0 446.572 5.246 40 0 IKABRN Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000020487505 526197093 /nfs/dbraw/zinc/19/70/93/526197093.db2.gz RFSZEIREEBRSMR-QHCPKHFHSA-N 0 0 442.625 5.077 40 0 IKABRN Cc1ccc(C(=O)N[C@@H](Oc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000016291967 526198864 /nfs/dbraw/zinc/19/88/64/526198864.db2.gz MFJQTHQZLOJMHS-HNNXBMFYSA-N 0 0 437.548 5.263 40 0 IKABRN Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000020453005 526210932 /nfs/dbraw/zinc/21/09/32/526210932.db2.gz AKNPNBSJNJFZCG-XMMPIXPASA-N 0 0 436.577 5.313 40 0 IKABRN COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000019637668 526218794 /nfs/dbraw/zinc/21/87/94/526218794.db2.gz 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555701098 /nfs/dbraw/zinc/70/10/98/555701098.db2.gz PKGLZJIFQIKRFK-UHFFFAOYSA-N 0 0 435.954 5.543 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000001468088 555701141 /nfs/dbraw/zinc/70/11/41/555701141.db2.gz JMGUQRVUKAEBDC-UHFFFAOYSA-N 0 0 430.339 5.550 40 0 IKABRN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 ZINC000001512775 555702599 /nfs/dbraw/zinc/70/25/99/555702599.db2.gz NZMKJIQFXDCVER-UHFFFAOYSA-N 0 0 439.309 5.352 40 0 IKABRN COc1ccc2c(c1)Sc1c(Cl)c3c(c(Cl)c1=N2)Sc1cc(OC)ccc1N=3 ZINC000001574783 555703969 /nfs/dbraw/zinc/70/39/69/555703969.db2.gz ASCRXQFLIRJMQZ-UHFFFAOYSA-N 0 0 447.368 5.842 40 0 IKABRN Brc1cc(Br)cc(-c2nnc(-c3ccc4ccccc4c3)o2)c1 ZINC000001580732 555704237 /nfs/dbraw/zinc/70/42/37/555704237.db2.gz MMZSYQGOCZKIDT-UHFFFAOYSA-N 0 0 430.099 6.082 40 0 IKABRN CCCC[C@](O)(c1ccccc1)[C@@](O)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000001635369 555707359 /nfs/dbraw/zinc/70/73/59/555707359.db2.gz HTVPDYDMQDWRDO-BJKOFHAPSA-N 0 0 436.420 5.696 40 0 IKABRN CCCC[C@@](O)(c1ccccc1)[C@](O)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000001635370 555707402 /nfs/dbraw/zinc/70/74/02/555707402.db2.gz HTVPDYDMQDWRDO-RPWUZVMVSA-N 0 0 436.420 5.696 40 0 IKABRN COP(=O)(OC)O/C(=C(/OP(=O)(OC)OC)c1ccccc1)c1ccccc1 ZINC000001637909 555707612 /nfs/dbraw/zinc/70/76/12/555707612.db2.gz CBYHHTKCFGNNSO-ISLYRVAYSA-N 0 0 428.314 5.347 40 0 IKABRN COc1cc([C@H]2C[C@](C)(Nc3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000001643577 555707924 /nfs/dbraw/zinc/70/79/24/555707924.db2.gz VIOSAMYWANJHLU-NIYFSFCBSA-N 0 0 449.503 5.184 40 0 IKABRN Clc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000001661302 555708555 /nfs/dbraw/zinc/70/85/55/555708555.db2.gz QLUGCUNEFUUMDM-UHFFFAOYSA-N 0 0 434.153 8.024 40 0 IKABRN O=C1N[C@](c2cccs2)(c2ccccc2)C(=O)N1C1c2ccccc2Oc2ccccc21 ZINC000001669970 555708931 /nfs/dbraw/zinc/70/89/31/555708931.db2.gz KIWTZFIGKNXKOS-SANMLTNESA-N 0 0 438.508 5.439 40 0 IKABRN Cc1cnc(SCc2ccc(Cl)cc2Cl)nc1Nc1ccc(Cl)c(Cl)c1 ZINC000001679412 555709289 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CC(C)OC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)c1cnccn1 ZINC000002762110 555812742 /nfs/dbraw/zinc/81/27/42/555812742.db2.gz CJRRBQNZBWCYCF-UHFFFAOYSA-N 0 0 449.576 6.070 40 0 IKABRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccccc1Cl ZINC000002798910 555823840 /nfs/dbraw/zinc/82/38/40/555823840.db2.gz FXVANQJKWZEPGB-GFCCVEGCSA-N 0 0 437.874 5.935 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C3\N=C(c4cccc(F)c4)OC3=O)c2)cc1 ZINC000002813741 555828181 /nfs/dbraw/zinc/82/81/81/555828181.db2.gz XADCFQUJMOSHPA-HAHDFKILSA-N 0 0 443.474 5.687 40 0 IKABRN Cc1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000035126107 555850033 /nfs/dbraw/zinc/85/00/33/555850033.db2.gz XGNCCRZQRMWWRQ-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN COc1cc(C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408551077 555858394 /nfs/dbraw/zinc/85/83/94/555858394.db2.gz AUTZGXMRRUICSR-UHFFFAOYSA-N 0 0 444.300 5.737 40 0 IKABRN CCOc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cc1 ZINC000003011845 555879308 /nfs/dbraw/zinc/87/93/08/555879308.db2.gz DPADNLRMRSKUJB-AZUAARDMSA-N 0 0 444.457 5.503 40 0 IKABRN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)ccc4C)c3N2)cc1 ZINC000003012767 555879634 /nfs/dbraw/zinc/87/96/34/555879634.db2.gz HUGDTICCNXCSBI-VQTJNVASSA-N 0 0 428.458 5.721 40 0 IKABRN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1 ZINC000003012754 555879698 /nfs/dbraw/zinc/87/96/98/555879698.db2.gz ABFDMKCHUPEWTK-RBUKOAKNSA-N 0 0 448.876 6.066 40 0 IKABRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000408554463 555883607 /nfs/dbraw/zinc/88/36/07/555883607.db2.gz FADAHHZKOYPXHR-HSZRJFAPSA-N 0 0 425.937 5.706 40 0 IKABRN O=C1OC(c2ccccc2Br)=N/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000003087402 555885104 /nfs/dbraw/zinc/88/51/04/555885104.db2.gz DVYZPXRWPGYQJU-KGENOOAVSA-N 0 0 434.289 5.373 40 0 IKABRN O=C1CS[C@@H](c2ccccc2OCc2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000408556881 555894474 /nfs/dbraw/zinc/89/44/74/555894474.db2.gz KNHGHPGOSJHCEK-QFIPXVFZSA-N 0 0 430.356 6.351 40 0 IKABRN O=C1CS[C@@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000408557223 555895040 /nfs/dbraw/zinc/89/50/40/555895040.db2.gz NVDUVIIZFUABMU-QFIPXVFZSA-N 0 0 448.346 6.490 40 0 IKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1F ZINC000408557893 555896223 /nfs/dbraw/zinc/89/62/23/555896223.db2.gz QMGIJYGAAPKULT-UHFFFAOYSA-N 0 0 428.891 5.507 40 0 IKABRN O=Cc1cc(Br)c(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1 ZINC000408558006 555896868 /nfs/dbraw/zinc/89/68/68/555896868.db2.gz RJRSPKKOHPMDJX-UHFFFAOYSA-N 0 0 429.217 5.482 40 0 IKABRN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1 ZINC000035145161 555897187 /nfs/dbraw/zinc/89/71/87/555897187.db2.gz SQJCACWVWRLSHQ-UHFFFAOYSA-N 0 0 434.904 5.240 40 0 IKABRN O=C1CS[C@@H](c2cccc(OCc3ccccc3Cl)c2)N1c1ccc(Cl)cc1 ZINC000408558114 555897204 /nfs/dbraw/zinc/89/72/04/555897204.db2.gz PVYWOJCDNVDKJQ-QFIPXVFZSA-N 0 0 430.356 6.351 40 0 IKABRN Cc1ccc(-c2cc(C(F)(F)F)nc(Sc3oc(C=O)cc3Br)n2)cc1 ZINC000408558543 555897736 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CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(C)c(C)c3)n2CC)cc1 ZINC000408560605 555901716 /nfs/dbraw/zinc/90/17/16/555901716.db2.gz DPKZJQQMJATTQO-RQZHXJHFSA-N 0 0 436.621 6.336 40 0 IKABRN CCOc1ccccc1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1CC ZINC000408560628 555901962 /nfs/dbraw/zinc/90/19/62/555901962.db2.gz MDGVUZOLGFTVFR-UHFFFAOYSA-N 0 0 446.576 5.172 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408560627 555901985 /nfs/dbraw/zinc/90/19/85/555901985.db2.gz DRGUFZALXAWEBM-BZZOAKBMSA-N 0 0 444.984 5.601 40 0 IKABRN CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(Cl)cc3)n2CC)cc1 ZINC000408561132 555902901 /nfs/dbraw/zinc/90/29/01/555902901.db2.gz GSJALKNGOFVQCB-BZZOAKBMSA-N 0 0 428.985 6.118 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccc3ccccc32)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561303 555903179 /nfs/dbraw/zinc/90/31/79/555903179.db2.gz HNIHHFXCEDZFNT-RFBIWTDZSA-N 0 0 434.992 6.737 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(F)cc1 ZINC000408561535 555903887 /nfs/dbraw/zinc/90/38/87/555903887.db2.gz JHKOPRLDQGQSOZ-FLFQWRMESA-N 0 0 447.373 5.832 40 0 IKABRN CCc1sc(=NC(=O)C(c2ccccc2)c2ccccc2)n(CC)c1-c1ccc(F)cc1 ZINC000408562288 555905347 /nfs/dbraw/zinc/90/53/47/555905347.db2.gz OPNCXACVIMWIHJ-OHYPFYFLSA-N 0 0 444.575 6.197 40 0 IKABRN CCn1c(-c2ccc(F)cc2)c(C)sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408562275 555905381 /nfs/dbraw/zinc/90/53/81/555905381.db2.gz OOINOAPQAPNJPG-SGEDCAFJSA-N 0 0 430.548 5.943 40 0 IKABRN O=C(CSCc1ccc(Br)cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408562683 555905993 /nfs/dbraw/zinc/90/59/93/555905993.db2.gz FGZGUDMXMZSSKY-UHFFFAOYSA-N 0 0 438.696 5.993 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562613 555906028 /nfs/dbraw/zinc/90/60/28/555906028.db2.gz QXGWYIKFUMMYGM-GYHWCHFESA-N 0 0 443.410 5.919 40 0 IKABRN CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000408562856 555906466 /nfs/dbraw/zinc/90/64/66/555906466.db2.gz FQEHAGRZWCTJKT-DEOSSOPVSA-N 0 0 426.944 5.220 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000408563102 555906724 /nfs/dbraw/zinc/90/67/24/555906724.db2.gz IOKBSAORQOLKCK-NCELDCMTSA-N 0 0 429.516 5.831 40 0 IKABRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408563213 555907572 /nfs/dbraw/zinc/90/75/72/555907572.db2.gz ACMILXISDZBEIV-ZKBLOPICSA-N 0 0 446.616 5.159 40 0 IKABRN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000408568876 555912282 /nfs/dbraw/zinc/91/22/82/555912282.db2.gz LJEOKTMNAAWIRB-UHFFFAOYSA-N 0 0 437.586 5.762 40 0 IKABRN COC(=O)c1c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)sc2c1CCC2 ZINC000408570054 555913292 /nfs/dbraw/zinc/91/32/92/555913292.db2.gz YGHVSZDNFLSWHJ-NBVRZTHBSA-N 0 0 437.948 5.856 40 0 IKABRN COc1cccc(C(=S)NCc2ccc(Cl)cc2)c1OCc1ccccc1Cl ZINC000408573141 555914804 /nfs/dbraw/zinc/91/48/04/555914804.db2.gz IMPIPJAYSLELOG-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1cccc(C(=S)NCc2ccc3c(c2)OCO3)c1OCc1ccccc1Cl ZINC000408571219 555914841 /nfs/dbraw/zinc/91/48/41/555914841.db2.gz AIIQSDYSBFDUKM-UHFFFAOYSA-N 0 0 441.936 5.122 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000408571221 555914875 /nfs/dbraw/zinc/91/48/75/555914875.db2.gz AIXKKSZTJDRVEA-UHFFFAOYSA-N 0 0 446.399 6.436 40 0 IKABRN S=C(NCc1ccccc1Cl)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000408571227 555915061 /nfs/dbraw/zinc/91/50/61/555915061.db2.gz AKCZCIBJFBWJQS-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN COc1cc(C(=S)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 ZINC000408571265 555915097 /nfs/dbraw/zinc/91/50/97/555915097.db2.gz AUPKJPDHHKNVHR-UHFFFAOYSA-N 0 0 441.936 5.122 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000408571774 555915425 /nfs/dbraw/zinc/91/54/25/555915425.db2.gz FSOQVVIQQBBVDC-NTCAYCPXSA-N 0 0 439.902 6.795 40 0 IKABRN S=C(NC[C@H]1CCCO1)c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408573168 555915659 /nfs/dbraw/zinc/91/56/59/555915659.db2.gz IQQPBADENHWCHL-OAHLLOKOSA-N 0 0 440.790 5.126 40 0 IKABRN CCCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000408572523 555916220 /nfs/dbraw/zinc/91/62/20/555916220.db2.gz JFFDWEINFPCPMR-FYWRMAATSA-N 0 0 434.517 5.040 40 0 IKABRN Cc1nc(-c2ccc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(C)s1 ZINC000408579359 555920534 /nfs/dbraw/zinc/92/05/34/555920534.db2.gz GDVYAXZNKRMTQK-UHFFFAOYSA-N 0 0 427.525 6.134 40 0 IKABRN COc1cccc(C(=S)NCc2ccccc2C)c1OCc1c(Cl)cccc1Cl ZINC000408573265 555923334 /nfs/dbraw/zinc/92/33/34/555923334.db2.gz JMTBYNKVSRURLB-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN COc1ccc(/C=C/C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1OC ZINC000408573919 555924622 /nfs/dbraw/zinc/92/46/22/555924622.db2.gz FKTGNYABDIOHFB-VZUCSPMQSA-N 0 0 447.575 5.832 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(CC)cc2)ccc1OCc1ccccc1Cl ZINC000408574234 555924849 /nfs/dbraw/zinc/92/48/49/555924849.db2.gz LCVKAVJVGRLRSX-UHFFFAOYSA-N 0 0 440.008 6.345 40 0 IKABRN S=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000408576745 555927286 /nfs/dbraw/zinc/92/72/86/555927286.db2.gz QWCNKNKMPXGLEE-UHFFFAOYSA-N 0 0 446.355 5.766 40 0 IKABRN Fc1cccc(Cl)c1COc1ccc(C(=S)N2CCCCC2)cc1Br ZINC000408576743 555927312 /nfs/dbraw/zinc/92/73/12/555927312.db2.gz QUXOLAXHHYXBAO-UHFFFAOYSA-N 0 0 442.781 5.982 40 0 IKABRN CCOc1cc(C(=S)NCc2cccc(C)c2)cc(Cl)c1OCc1ccccc1 ZINC000408577497 555928243 /nfs/dbraw/zinc/92/82/43/555928243.db2.gz SVJPVBCBAKGBIC-UHFFFAOYSA-N 0 0 425.981 6.091 40 0 IKABRN COc1ccccc1CNC(=S)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000408577657 555928594 /nfs/dbraw/zinc/92/85/94/555928594.db2.gz UEBPIPWYXUIQHZ-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN Fc1cccc(Cl)c1COc1ccc(C(=S)N2CCCC2)cc1Br ZINC000408578198 555929471 /nfs/dbraw/zinc/92/94/71/555929471.db2.gz WQQXKEKMSMHQRE-UHFFFAOYSA-N 0 0 428.754 5.592 40 0 IKABRN COc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408578194 555929517 /nfs/dbraw/zinc/92/95/17/555929517.db2.gz WQGHEQJUITYLCV-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1ccc(OC)c(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1 ZINC000408585159 555935512 /nfs/dbraw/zinc/93/55/12/555935512.db2.gz BRWKSUMUKLLARW-UHFFFAOYSA-N 0 0 442.309 5.298 40 0 IKABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000408585717 555936251 /nfs/dbraw/zinc/93/62/51/555936251.db2.gz HNXRVQBAMATBNT-UHFFFAOYSA-N 0 0 426.310 6.283 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000408588303 555938883 /nfs/dbraw/zinc/93/88/83/555938883.db2.gz VMSNRUIYOSXQNY-UHFFFAOYSA-N 0 0 446.588 5.220 40 0 IKABRN CC(=O)C(C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000003846279 555948017 /nfs/dbraw/zinc/94/80/17/555948017.db2.gz RGMXZJHDZJTGFP-WUMKDDEVSA-N 0 0 448.559 5.332 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)=CC1 ZINC000003846374 555948455 /nfs/dbraw/zinc/94/84/55/555948455.db2.gz GSMGNZCKZIUPCV-XEWWANBBSA-N 0 0 444.656 6.641 40 0 IKABRN CCCC[C@@H](CC)COc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000003848703 555948676 /nfs/dbraw/zinc/94/86/76/555948676.db2.gz XRTXNQDSOJASKD-MRXNPFEDSA-N 0 0 429.358 6.761 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc(F)c(Cl)c3)cc2)cc1Cl ZINC000408605755 555966199 /nfs/dbraw/zinc/96/61/99/555966199.db2.gz GPYLNZXEXHEXCW-UHFFFAOYSA-N 0 0 433.310 6.071 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccc(F)c(Cl)c3)cc2Cl)c1 ZINC000408603013 555972211 /nfs/dbraw/zinc/97/22/11/555972211.db2.gz AFMCROBTUJZXAN-UHFFFAOYSA-N 0 0 433.310 6.071 40 0 IKABRN Fc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1Cl ZINC000408603254 555972252 /nfs/dbraw/zinc/97/22/52/555972252.db2.gz BRSGLECQOYRKEX-UHFFFAOYSA-N 0 0 426.318 7.477 40 0 IKABRN CCOc1cc(CNc2ccc(Br)cc2C)cc(Br)c1OC ZINC000408613051 555978081 /nfs/dbraw/zinc/97/80/81/555978081.db2.gz WXQDBJWEVSPXDL-UHFFFAOYSA-N 0 0 429.152 5.539 40 0 IKABRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=S)N1 ZINC000408609908 555980131 /nfs/dbraw/zinc/98/01/31/555980131.db2.gz PJHAXCQFBFFLKA-SFHVURJKSA-N 0 0 438.471 5.102 40 0 IKABRN COc1ccc(Oc2ccc(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)cc1 ZINC000408618235 555981835 /nfs/dbraw/zinc/98/18/35/555981835.db2.gz FEQHOGBQPDHQLP-UHFFFAOYSA-N 0 0 439.294 7.285 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OCC ZINC000408617353 555988380 /nfs/dbraw/zinc/98/83/80/555988380.db2.gz BXTIEGUUIGOUOL-UHFFFAOYSA-N 0 0 439.939 6.881 40 0 IKABRN CC(=O)C[C@@H](SCCSCCS[C@H](CC(C)=O)c1ccccc1)c1ccccc1 ZINC000004352973 555988964 /nfs/dbraw/zinc/98/89/64/555988964.db2.gz AOKADWHXGUNZMD-DNQXCXABSA-N 0 0 446.703 6.627 40 0 IKABRN CC(=O)Nc1cccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)c1 ZINC000408620968 555989933 /nfs/dbraw/zinc/98/99/33/555989933.db2.gz NEFRWVKWOSZOBX-UHFFFAOYSA-N 0 0 431.879 5.040 40 0 IKABRN CCCCc1ccc(NC(=O)c2cc3c(nc(SC)nc3N3CCCC3)s2)cc1 ZINC000408622512 555991403 /nfs/dbraw/zinc/99/14/03/555991403.db2.gz QXKPEFXCXHQLQB-UHFFFAOYSA-N 0 0 426.611 5.608 40 0 IKABRN COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2F)cc1 ZINC000408623097 555992070 /nfs/dbraw/zinc/99/20/70/555992070.db2.gz CUSDAKOXMRSGCE-UHFFFAOYSA-N 0 0 440.323 5.537 40 0 IKABRN CC(C)C[C@@H](C)OC(=O)CC(CC(=O)O[C@H](C)CC(C)C)C(=O)O[C@@H](C)CC(C)C ZINC000004403556 555992927 /nfs/dbraw/zinc/99/29/27/555992927.db2.gz XBNWCMUBZMWBGY-AQNXPRMDSA-N 0 0 428.610 5.316 40 0 IKABRN CCCCC/C=C/C(=O)Nc1ccc(-c2ccc(NC(=O)/C=C/CCCCC)cc2)cc1 ZINC000004401920 555992940 /nfs/dbraw/zinc/99/29/40/555992940.db2.gz BKCBSSPLHWOFJF-PHEQNACWSA-N 0 0 432.608 7.504 40 0 IKABRN Cc1cccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408624699 555994303 /nfs/dbraw/zinc/99/43/03/555994303.db2.gz TZCTXJYXQBJXSM-UHFFFAOYSA-N 0 0 449.016 5.073 40 0 IKABRN CSc1nc2sc(C(=O)Nc3cccc(Cl)c3C)cc2c(N2CCCCC2)n1 ZINC000408625182 555995777 /nfs/dbraw/zinc/99/57/77/555995777.db2.gz XEXDSNHKCRLIPY-UHFFFAOYSA-N 0 0 433.002 5.618 40 0 IKABRN CSc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000408627462 555998393 /nfs/dbraw/zinc/99/83/93/555998393.db2.gz ZWTDVJLDXPXTCI-UHFFFAOYSA-N 0 0 446.981 5.423 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccc(Cl)cc2)cc1 ZINC000408629910 556000432 /nfs/dbraw/zinc/00/04/32/556000432.db2.gz KGYGEQXNHZVRHP-UHFFFAOYSA-N 0 0 449.016 5.073 40 0 IKABRN NN=c1nc(NC23CC4CC(CC(C4)C2)C3)[nH]c(N(c2ccccc2)c2ccccc2)n1 ZINC000004615607 556004225 /nfs/dbraw/zinc/00/42/25/556004225.db2.gz JOGSPQDTQGKOHU-UHFFFAOYSA-N 0 0 427.556 5.008 40 0 IKABRN CC(C)CC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCC(C)C)C(C)C)C(C)C ZINC000004683292 556006336 /nfs/dbraw/zinc/00/63/36/556006336.db2.gz JCJPBWVRHVLSJW-DNQXCXABSA-N 0 0 446.672 7.417 40 0 IKABRN C[C@@H]1C(=O)CC[C@@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004722965 556008262 /nfs/dbraw/zinc/00/82/62/556008262.db2.gz OFMXGFHWLZPCFL-HROASSOFSA-N 0 0 426.729 8.457 40 0 IKABRN COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3C(=O)c3ccc(OC)cc32)cc1 ZINC000004747914 556009539 /nfs/dbraw/zinc/00/95/39/556009539.db2.gz AGGLRMBLRNTBQD-UHFFFAOYSA-N 0 0 436.507 5.640 40 0 IKABRN O=C1N[C@@](c2cccs2)(c2ccccc2)C(=O)N1C1c2ccccc2Oc2ccccc21 ZINC000004783191 556011570 /nfs/dbraw/zinc/01/15/70/556011570.db2.gz KIWTZFIGKNXKOS-AREMUKBSSA-N 0 0 438.508 5.439 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)C[C@H](O)C(F)F)[C@@]4(C)CC[C@@H]32)C1 ZINC000004804036 556012421 /nfs/dbraw/zinc/01/24/21/556012421.db2.gz ITDMQPFKAISKOA-VTBDHJHASA-N 0 0 440.571 5.162 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000408635421 556013110 /nfs/dbraw/zinc/01/31/10/556013110.db2.gz AXWPQAMZJDNAED-UHFFFAOYSA-N 0 0 442.824 6.100 40 0 IKABRN CCOC(=O)N1[C@H](c2ccccc2)N(c2ccccc2)[C@@H](c2ccccc2)N1C(=O)OCC ZINC000004822494 556013374 /nfs/dbraw/zinc/01/33/74/556013374.db2.gz DSGORSPFIDYVHA-DNQXCXABSA-N 0 0 445.519 5.736 40 0 IKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O ZINC000408637856 556015291 /nfs/dbraw/zinc/01/52/91/556015291.db2.gz AKQHDJVWVFXXHW-SFHVURJKSA-N 0 0 443.385 5.182 40 0 IKABRN O=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408638230 556015522 /nfs/dbraw/zinc/01/55/22/556015522.db2.gz BVDKRPIIOYZIFO-CQSZACIVSA-N 0 0 443.728 5.247 40 0 IKABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000408638280 556015532 /nfs/dbraw/zinc/01/55/32/556015532.db2.gz QQMSWJHMFYZUHF-UHFFFAOYSA-N 0 0 444.727 5.436 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)c1C ZINC000408640237 556016628 /nfs/dbraw/zinc/01/66/28/556016628.db2.gz IDRRPRQXLYLZJD-NRFANRHFSA-N 0 0 428.532 5.704 40 0 IKABRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc(C)c1Br ZINC000408640893 556016912 /nfs/dbraw/zinc/01/69/12/556016912.db2.gz KEKQPIUBEFFTAU-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN CCCCCC[C@@H](CCCCCCCCCCC(=O)OC[C@@H](C)CCC)OC(=O)CC ZINC000004897243 556018311 /nfs/dbraw/zinc/01/83/11/556018311.db2.gz DHZVTDROULFHNL-DQEYMECFSA-N 0 0 440.709 8.159 40 0 IKABRN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O ZINC000408647395 556022865 /nfs/dbraw/zinc/02/28/65/556022865.db2.gz VHYPXSLUHZAMQR-HKUYNNGSSA-N 0 0 434.923 5.681 40 0 IKABRN Cc1c(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1Br ZINC000408644335 556024466 /nfs/dbraw/zinc/02/44/66/556024466.db2.gz SOXODGWNFCCBSY-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1 ZINC000408645034 556025310 /nfs/dbraw/zinc/02/53/10/556025310.db2.gz UGJUPFYDKIRKNI-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 ZINC000408649251 556025862 /nfs/dbraw/zinc/02/58/62/556025862.db2.gz ZSFAKKJTVDZULN-OAQYLSRUSA-N 0 0 428.532 5.650 40 0 IKABRN Cc1ccc([C@@]2(c3ccccc3)C=C(c3ccccc3)N=C2c2nccc3ccccc32)cc1 ZINC000005004819 556027423 /nfs/dbraw/zinc/02/74/23/556027423.db2.gz CPIAORIJNHBYST-YTTGMZPUSA-N 0 0 436.558 7.373 40 0 IKABRN O=C(O[C@]1(c2ccccc2)OC(=O)c2ccccc21)c1ccccc1C(=O)c1ccccc1 ZINC000005062789 556030661 /nfs/dbraw/zinc/03/06/61/556030661.db2.gz KTTJRRFDZFMDHF-MUUNZHRXSA-N 0 0 434.447 5.146 40 0 IKABRN Cc1ccc(NC(=O)NC[C@@]2(C)C[C@@H](NC(=O)Nc3ccc(C)cc3)CC(C)(C)C2)cc1 ZINC000005085431 556032029 /nfs/dbraw/zinc/03/20/29/556032029.db2.gz CSPTYTLNTZSUIM-NVQXNPDNSA-N 0 0 436.600 5.832 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)[C@@H]2O ZINC000118916058 556035787 /nfs/dbraw/zinc/03/57/87/556035787.db2.gz WHQRSVDLJNJCEK-VHBMSGRFSA-N 0 0 449.462 6.751 40 0 IKABRN CC(=O)c1cccc(NC(=O)CCCCCCCCC(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000005329260 556045682 /nfs/dbraw/zinc/04/56/82/556045682.db2.gz YUEOTDOGLHGSFU-UHFFFAOYSA-N 0 0 436.552 5.790 40 0 IKABRN Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1cc(Cl)cc(Cl)c1O ZINC000005328150 556045694 /nfs/dbraw/zinc/04/56/94/556045694.db2.gz IDRIAUALEUEQJL-UHFFFAOYSA-N 0 0 435.354 7.459 40 0 IKABRN COc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000408663539 556046680 /nfs/dbraw/zinc/04/66/80/556046680.db2.gz AFFRWKIFVFEOOL-UHFFFAOYSA-N 0 0 446.890 5.359 40 0 IKABRN Clc1ccc(OCC[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000005386103 556049511 /nfs/dbraw/zinc/04/95/11/556049511.db2.gz YLMDZEPSHJDDIY-CYBMUJFWSA-N 0 0 430.162 6.750 40 0 IKABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c(C)c1 ZINC000408668214 556053668 /nfs/dbraw/zinc/05/36/68/556053668.db2.gz VUKOSAZWBNULNH-FPMFRTRJSA-N 0 0 448.349 5.401 40 0 IKABRN Cc1ccc(NC(=O)c2cccc(N3C(=O)c4ccc(Br)cc4C3=O)c2)cc1C ZINC000408667592 556055918 /nfs/dbraw/zinc/05/59/18/556055918.db2.gz BSSGLTNUCKYKAA-UHFFFAOYSA-N 0 0 449.304 5.119 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccccc3)cc2)c1 ZINC000408667820 556056517 /nfs/dbraw/zinc/05/65/17/556056517.db2.gz RJMHAXYJYHBNSE-UHFFFAOYSA-N 0 0 446.503 5.078 40 0 IKABRN O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1cccc(Cl)c1 ZINC000035264144 556056555 /nfs/dbraw/zinc/05/65/55/556056555.db2.gz UXYUBKOKTGVVII-UHFFFAOYSA-N 0 0 429.701 5.607 40 0 IKABRN CCCCOc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 ZINC000035264251 556056925 /nfs/dbraw/zinc/05/69/25/556056925.db2.gz PUDKKXMWLDUSMD-UHFFFAOYSA-N 0 0 448.906 5.572 40 0 IKABRN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(Cl)cc3)c2C)cc1 ZINC000408670434 556057833 /nfs/dbraw/zinc/05/78/33/556057833.db2.gz PXVJBQVUEQXPBA-UHFFFAOYSA-N 0 0 444.918 5.968 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1C ZINC000035269874 556058970 /nfs/dbraw/zinc/05/89/70/556058970.db2.gz LIOSLKPCDDBDSR-UHFFFAOYSA-N 0 0 437.952 5.336 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 ZINC000035269862 556059079 /nfs/dbraw/zinc/05/90/79/556059079.db2.gz BEPKMLIHDONPIP-UHFFFAOYSA-N 0 0 448.906 5.572 40 0 IKABRN Cc1cccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)c1 ZINC000002200523 556059343 /nfs/dbraw/zinc/05/93/43/556059343.db2.gz VCKMBHWNGBOGEH-NXCFDTQHSA-N 0 0 434.495 5.199 40 0 IKABRN Cc1cc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)ccc1Br ZINC000408671051 556060664 /nfs/dbraw/zinc/06/06/64/556060664.db2.gz SDUBHUHNCTUNEI-UHFFFAOYSA-N 0 0 440.293 5.345 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000408673463 556064482 /nfs/dbraw/zinc/06/44/82/556064482.db2.gz WWPIEQRGRSPHAV-SFHVURJKSA-N 0 0 433.935 5.624 40 0 IKABRN COc1ccc(/C=C\C[C@H]2Cc3cc4c(cc3O[C@@H]2c2ccc(OC)cc2)OCO4)cc1 ZINC000005765669 556065115 /nfs/dbraw/zinc/06/51/15/556065115.db2.gz XJCYHVVLLSSJHZ-UHUGVDSRSA-N 0 0 430.500 5.828 40 0 IKABRN O[C@@H]1c2ccccc2[C@@]2(O)[C@H]1[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000005813198 556066982 /nfs/dbraw/zinc/06/69/82/556066982.db2.gz QWYCALYVYWPWLT-PPBPHVFVSA-N 0 0 434.535 5.006 40 0 IKABRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4Cl)c3)C(=O)[C@H]2C1 ZINC000408675160 556067009 /nfs/dbraw/zinc/06/70/09/556067009.db2.gz AEIRVMHAQANUMA-HOTGVXAUSA-N 0 0 429.303 5.091 40 0 IKABRN O[C@@H]1c2ccccc2[C@@]2(O)[C@H]1[C@@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000005813195 556067053 /nfs/dbraw/zinc/06/70/53/556067053.db2.gz QWYCALYVYWPWLT-NHODMIADSA-N 0 0 434.535 5.006 40 0 IKABRN 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ZINC000008752251 556210693 /nfs/dbraw/zinc/21/06/93/556210693.db2.gz CTVIRQMDPSVJJU-LJQANCHMSA-N 0 0 445.950 5.598 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O ZINC000008821676 556223348 /nfs/dbraw/zinc/22/33/48/556223348.db2.gz JYADYPYVCQUONB-STZFKDTASA-N 0 0 445.968 6.154 40 0 IKABRN COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)cc1 ZINC000408750647 556228069 /nfs/dbraw/zinc/22/80/69/556228069.db2.gz PWBPKPVREAWHKW-UHFFFAOYSA-N 0 0 440.977 6.503 40 0 IKABRN COc1ccc(CSc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)cc1 ZINC000408750851 556228364 /nfs/dbraw/zinc/22/83/64/556228364.db2.gz SLPLAKJOIZDQOR-UHFFFAOYSA-N 0 0 440.977 6.503 40 0 IKABRN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O ZINC000008871293 556229677 /nfs/dbraw/zinc/22/96/77/556229677.db2.gz QMDCBQGMNYISRV-JOCHJYFZSA-N 0 0 439.559 5.588 40 0 IKABRN Cc1cc(C)c(C)c(Cn2c(CCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)c1C ZINC000008871542 556229686 /nfs/dbraw/zinc/22/96/86/556229686.db2.gz FJOXUYLFEYBOAX-UHFFFAOYSA-N 0 0 445.994 5.944 40 0 IKABRN O=C(c1ccccc1)[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 ZINC000009146168 556249586 /nfs/dbraw/zinc/24/95/86/556249586.db2.gz JJQKYALJTIFEEN-NDEPHWFRSA-N 0 0 447.559 7.725 40 0 IKABRN CC(C)(C)c1ccc(-c2nc(SCC(=O)Nc3ccc(Br)cc3)n[nH]2)cc1 ZINC000009199476 556257128 /nfs/dbraw/zinc/25/71/28/556257128.db2.gz FXCVYKHEBHLCPY-UHFFFAOYSA-N 0 0 445.386 5.263 40 0 IKABRN Brc1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000009199826 556257367 /nfs/dbraw/zinc/25/73/67/556257367.db2.gz SXSDUURSFSOUHD-UHFFFAOYSA-N 0 0 437.362 6.305 40 0 IKABRN Clc1ccccc1CSc1nnc(-c2ccc(I)cc2)o1 ZINC000009200205 556257422 /nfs/dbraw/zinc/25/74/22/556257422.db2.gz AXETUXLWJNMSAH-UHFFFAOYSA-N 0 0 428.682 5.287 40 0 IKABRN O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccccc1Cl ZINC000009199915 556257456 /nfs/dbraw/zinc/25/74/56/556257456.db2.gz RIJDKEXXWYLSFG-UHFFFAOYSA-N 0 0 435.936 5.634 40 0 IKABRN COc1cc(OC)c(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)c(OC)c1 ZINC000009233230 556262051 /nfs/dbraw/zinc/26/20/51/556262051.db2.gz RQAZMTROVPBDLW-LPYMAVHISA-N 0 0 435.501 5.102 40 0 IKABRN C[C@H]1O[C@@H](n2c3ccccc3c3ccccc32)[C@@H](C)O[C@H]1n1c2ccccc2c2ccccc21 ZINC000009245292 556267091 /nfs/dbraw/zinc/26/70/91/556267091.db2.gz FPILFFLXHSKNOF-XYTTVBAYSA-N 0 0 446.550 7.424 40 0 IKABRN O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000013684943 556275474 /nfs/dbraw/zinc/27/54/74/556275474.db2.gz FYYWSNQVALEZIQ-UHFFFAOYSA-N 0 0 434.539 5.654 40 0 IKABRN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1CCc1ccccc1 ZINC000013684939 556275500 /nfs/dbraw/zinc/27/55/00/556275500.db2.gz GTYBGHHUWZCHAB-UHFFFAOYSA-N 0 0 426.560 5.787 40 0 IKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000013685261 556275702 /nfs/dbraw/zinc/27/57/02/556275702.db2.gz USTMZYACQKLKFE-HXUWFJFHSA-N 0 0 438.527 5.218 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccccc1 ZINC000013685303 556275782 /nfs/dbraw/zinc/27/57/82/556275782.db2.gz GGKLAPREKKRELW-UXHICEINSA-N 0 0 438.527 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C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000013708408 556283639 /nfs/dbraw/zinc/28/36/39/556283639.db2.gz KAHGIYPWUQAITC-OAHLLOKOSA-N 0 0 434.388 5.964 40 0 IKABRN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013709907 556283869 /nfs/dbraw/zinc/28/38/69/556283869.db2.gz CSYPDFRIKWOINO-HXUWFJFHSA-N 0 0 434.967 5.041 40 0 IKABRN C[C@H](Oc1cccc2ccccc21)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000013709168 556283872 /nfs/dbraw/zinc/28/38/72/556283872.db2.gz GENVICHILVQIQR-HNNXBMFYSA-N 0 0 434.388 5.964 40 0 IKABRN C[C@@]1(c2ccccc2)CC(c2ccccc2)=C[C@@](O)(c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000009348763 556283972 /nfs/dbraw/zinc/28/39/72/556283972.db2.gz WXOFSVGQZXAZRK-YKILCQELSA-N 0 0 444.574 6.819 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000013717326 556288044 /nfs/dbraw/zinc/28/80/44/556288044.db2.gz VXWVAPSTUHYHRM-UHFFFAOYSA-N 0 0 444.556 5.302 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 ZINC000009570210 556299806 /nfs/dbraw/zinc/29/98/06/556299806.db2.gz BJWFOFFEORVUCJ-UHFFFAOYSA-N 0 0 442.588 5.460 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000009571692 556300088 /nfs/dbraw/zinc/30/00/88/556300088.db2.gz ZJZVCXAVNHMHHR-UHFFFAOYSA-N 0 0 432.524 5.036 40 0 IKABRN CCCN(C(=O)c1ccc2c(c1)OCO2)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606438 556303095 /nfs/dbraw/zinc/30/30/95/556303095.db2.gz YSNIFNDUAKECEQ-UHFFFAOYSA-N 0 0 445.338 5.358 40 0 IKABRN Clc1ccc(NCc2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 ZINC000009695112 556306537 /nfs/dbraw/zinc/30/65/37/556306537.db2.gz MNMOIWDAFDCGEO-UHFFFAOYSA-N 0 0 446.967 5.701 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000036371583 556306967 /nfs/dbraw/zinc/30/69/67/556306967.db2.gz WICQHKDZHVVRAU-CJTWBSTDSA-N 0 0 444.700 6.930 40 0 IKABRN CC(=O)OC1=CCC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3CC[C@H]2C1 ZINC000036371733 556307206 /nfs/dbraw/zinc/30/72/06/556307206.db2.gz DOZKIOWESDDEID-QFYFLRHMSA-N 0 0 442.728 8.555 40 0 IKABRN CC(=O)O[C@@H]1c2ccc3c(c2CCC1=O)CC[C@@]1(C)[C@H]3CC[C@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000036371913 556307289 /nfs/dbraw/zinc/30/72/89/556307289.db2.gz NBPHAHNFMOQFSI-XCLZMCKQSA-N 0 0 438.652 6.961 40 0 IKABRN CCOC(=O)c1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCC2 ZINC000009846275 556313059 /nfs/dbraw/zinc/31/30/59/556313059.db2.gz ARCLMPMUDGQECH-UHFFFAOYSA-N 0 0 440.373 6.187 40 0 IKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000010010916 556322504 /nfs/dbraw/zinc/32/25/04/556322504.db2.gz CLHFYZWDJRWWBF-UHFFFAOYSA-N 0 0 442.968 5.329 40 0 IKABRN CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010019894 556322669 /nfs/dbraw/zinc/32/26/69/556322669.db2.gz NHVYSMFBCDSZOC-UHFFFAOYSA-N 0 0 432.954 5.115 40 0 IKABRN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cccc2c(Cl)cccc12 ZINC000010128823 556326572 /nfs/dbraw/zinc/32/65/72/556326572.db2.gz FJCACBGHRVONDV-UHFFFAOYSA-N 0 0 425.871 6.519 40 0 IKABRN COC(C(=O)Nc1ccc(C)cc1C(=O)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000010152087 556326976 /nfs/dbraw/zinc/32/69/76/556326976.db2.gz XGGKWJREQZLQMG-UHFFFAOYSA-N 0 0 435.523 5.755 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010325372 556331235 /nfs/dbraw/zinc/33/12/35/556331235.db2.gz XXCBLVUNHGJAAG-HNNXBMFYSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4c(C)cccc4C)cc3C[C@H]2C)cc1 ZINC000010326583 556331510 /nfs/dbraw/zinc/33/15/10/556331510.db2.gz DFUCSMJYWNGLRQ-LJQANCHMSA-N 0 0 434.561 5.004 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010333643 556332482 /nfs/dbraw/zinc/33/24/82/556332482.db2.gz BVVLXOYDYBBDEM-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000010336874 556332743 /nfs/dbraw/zinc/33/27/43/556332743.db2.gz UMRWNIBYZVSXRV-UHFFFAOYSA-N 0 0 442.968 5.329 40 0 IKABRN O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OCc1ccccc1Br ZINC000013924928 556333797 /nfs/dbraw/zinc/33/37/97/556333797.db2.gz MDDDXDOCDQFQIV-ZHZULCJRSA-N 0 0 434.289 5.373 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)c1 ZINC000214605408 556336338 /nfs/dbraw/zinc/33/63/38/556336338.db2.gz BLIVIJZYVIPLEA-RGVLZGJSSA-N 0 0 444.339 6.798 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c1 ZINC000214615716 556337543 /nfs/dbraw/zinc/33/75/43/556337543.db2.gz FQVRFZRSVRZINL-RGVLZGJSSA-N 0 0 444.339 6.798 40 0 IKABRN CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccc(Cl)cc1 ZINC000011063986 556339147 /nfs/dbraw/zinc/33/91/47/556339147.db2.gz NYFSKOWLHVFSDO-UHFFFAOYSA-N 0 0 432.336 5.614 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000013999627 556353426 /nfs/dbraw/zinc/35/34/26/556353426.db2.gz KXFKPFXZZDVXCU-FQEVSTJZSA-N 0 0 430.548 5.627 40 0 IKABRN CC[C@H](Oc1ccccc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014009336 556354209 /nfs/dbraw/zinc/35/42/09/556354209.db2.gz ZCEBEZXMHDSBRJ-VWLOTQADSA-N 0 0 428.576 5.086 40 0 IKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014022917 556357067 /nfs/dbraw/zinc/35/70/67/556357067.db2.gz OCGLDTBMLCEDND-AREMUKBSSA-N 0 0 428.576 5.086 40 0 IKABRN O=C1c2ccccc2[C@@]2(O)[C@H]1[C@@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000037259939 556377956 /nfs/dbraw/zinc/37/79/56/556377956.db2.gz XIHNGQBYDVKORK-DDAAUBIUSA-N 0 0 432.519 5.156 40 0 IKABRN CCOCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccn4c3NC(C)(C)C)C2)cc1 ZINC000012088154 556401122 /nfs/dbraw/zinc/40/11/22/556401122.db2.gz RREQPILJXPAOED-OAQYLSRUSA-N 0 0 434.584 5.101 40 0 IKABRN CCOCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)cc1 ZINC000012088155 556401188 /nfs/dbraw/zinc/40/11/88/556401188.db2.gz RREQPILJXPAOED-NRFANRHFSA-N 0 0 434.584 5.101 40 0 IKABRN CCOC(=O)c1c(NC(=S)NC(=O)C2CCCCC2)sc(C)c1-c1ccccc1 ZINC000004352814 556408764 /nfs/dbraw/zinc/40/87/64/556408764.db2.gz VTAJYQRRVRUXPT-UHFFFAOYSA-N 0 0 430.595 5.294 40 0 IKABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 ZINC000014427248 556415968 /nfs/dbraw/zinc/41/59/68/556415968.db2.gz WFMRNJPBKBCUMW-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN Cc1ccc([C@H](NC(=O)c2ccccc2I)c2ccccc2)cc1 ZINC000014577253 556427403 /nfs/dbraw/zinc/42/74/03/556427403.db2.gz LOIRUFIOCZXREP-HXUWFJFHSA-N 0 0 427.285 5.119 40 0 IKABRN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000214821952 556429945 /nfs/dbraw/zinc/42/99/45/556429945.db2.gz OJOQTXLIVZNWBD-RQZCQDPDSA-N 0 0 442.751 6.282 40 0 IKABRN O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000039760885 556436315 /nfs/dbraw/zinc/43/63/15/556436315.db2.gz ISVUBEXGLWUFJG-UHFFFAOYSA-N 0 0 434.908 5.363 40 0 IKABRN Cc1ccccc1CSCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039763684 556436611 /nfs/dbraw/zinc/43/66/11/556436611.db2.gz WZADXPBKCIFWPL-UHFFFAOYSA-N 0 0 435.008 5.049 40 0 IKABRN O=C(Nc1cccc(Br)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039763868 556436709 /nfs/dbraw/zinc/43/67/09/556436709.db2.gz DUFWYUBLZODGDT-UHFFFAOYSA-N 0 0 425.729 5.092 40 0 IKABRN C[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039767955 556437318 /nfs/dbraw/zinc/43/73/18/556437318.db2.gz UYOOJZYPCAQAFV-KRWDZBQOSA-N 0 0 430.995 5.866 40 0 IKABRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000039767967 556437381 /nfs/dbraw/zinc/43/73/81/556437381.db2.gz RRIPFVFKDQMFMK-UHFFFAOYSA-N 0 0 434.908 5.363 40 0 IKABRN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(I)cc3)o2)cc1 ZINC000039851064 556437795 /nfs/dbraw/zinc/43/77/95/556437795.db2.gz XYLIAFFQXMDZES-UHFFFAOYSA-N 0 0 433.245 5.024 40 0 IKABRN COc1ccccc1N1CCN([C@@H](C(=O)c2c(C)[nH]c3ccccc32)c2ccccc2)CC1 ZINC000037100533 556440272 /nfs/dbraw/zinc/44/02/72/556440272.db2.gz YJOOUQNKLQYYDY-HHHXNRCGSA-N 0 0 439.559 5.231 40 0 IKABRN CCOc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013025620 556440312 /nfs/dbraw/zinc/44/03/12/556440312.db2.gz IVWFJTPXMZCISI-QFIPXVFZSA-N 0 0 438.549 5.187 40 0 IKABRN CCOc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013025618 556440373 /nfs/dbraw/zinc/44/03/73/556440373.db2.gz IVWFJTPXMZCISI-JOCHJYFZSA-N 0 0 438.549 5.187 40 0 IKABRN Cc1cccc2cc([C@H]3CC(c4cccs4)=NN3C(=O)c3ccccc3F)c(Cl)nc12 ZINC000013027681 556440990 /nfs/dbraw/zinc/44/09/90/556440990.db2.gz IUKUDVSOQKQCQL-HXUWFJFHSA-N 0 0 449.938 6.389 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1 ZINC000014835465 556448831 /nfs/dbraw/zinc/44/88/31/556448831.db2.gz OYZNUBFHBZCONM-UHFFFAOYSA-N 0 0 430.264 5.783 40 0 IKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000014833521 556448992 /nfs/dbraw/zinc/44/89/92/556448992.db2.gz PIAGOZVKUUSZOJ-OVCLIPMQSA-N 0 0 440.952 5.410 40 0 IKABRN C[C@@H]1CC[C@@H]2[C@@H](C1)c1sc(=O)n(CC(=O)Nc3ccc(Cl)cc3)c1SC2(C)C ZINC000028294965 556450994 /nfs/dbraw/zinc/45/09/94/556450994.db2.gz WAWXYVHSHMUVNL-DAXOMENPSA-N 0 0 437.030 5.606 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000028536808 556456711 /nfs/dbraw/zinc/45/67/11/556456711.db2.gz JVRUDYNTKOCRNP-PHHGASLBSA-N 0 0 436.592 6.107 40 0 IKABRN Cn1nc(C(F)(F)F)c(C=C2SC(=S)NC2=O)c1SCc1ccc(Cl)cc1 ZINC000028822808 556461690 /nfs/dbraw/zinc/46/16/90/556461690.db2.gz CVYPRDPBCXSVBN-WDZFZDKYSA-N 0 0 449.932 5.714 40 0 in-vitro IKABRN Clc1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(Cl)c1 ZINC000408874201 556465006 /nfs/dbraw/zinc/46/50/06/556465006.db2.gz ZILXPFARWCGZGF-UHFFFAOYSA-N 0 0 436.147 6.555 40 0 IKABRN CCOc1cc(C)c(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C(C)C ZINC000408874247 556465027 /nfs/dbraw/zinc/46/50/27/556465027.db2.gz ALYVPJWNGPBTAS-MTJSOVHGSA-N 0 0 429.969 6.407 40 0 IKABRN CSc1ccc(/C=C2\C(=O)Nc3c2cc(Br)cc3Br)cc1 ZINC000015016394 556485757 /nfs/dbraw/zinc/48/57/57/556485757.db2.gz XKTPLILAWZYXJC-MLPAPPSSSA-N 0 0 425.145 5.426 40 0 IKABRN CCSc1ccc(/C=C2\C(=O)Nc3c2cc(Br)cc3Br)cc1 ZINC000015016465 556485842 /nfs/dbraw/zinc/48/58/42/556485842.db2.gz PUBNJGLOHOSPLD-AUWJEWJLSA-N 0 0 439.172 5.816 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000408901830 556487637 /nfs/dbraw/zinc/48/76/37/556487637.db2.gz HPEODLHORQKHCH-PXLXIMEGSA-N 0 0 444.512 5.253 40 0 IKABRN O=C(Nc1ccccc1-c1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000030027966 556489480 /nfs/dbraw/zinc/48/94/80/556489480.db2.gz WYNDGMJHCNIWHT-UHFFFAOYSA-N 0 0 446.503 5.546 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408908186 556493578 /nfs/dbraw/zinc/49/35/78/556493578.db2.gz UTYIJAJALBMEQR-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1Cl ZINC000408907178 556494374 /nfs/dbraw/zinc/49/43/74/556494374.db2.gz MAJXCDGYPJZLMA-ZZXKWVIFSA-N 0 0 435.203 6.363 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000408907447 556494445 /nfs/dbraw/zinc/49/44/45/556494445.db2.gz ODZOBOQHULXPFA-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN COc1ccc(CCCC(=O)Nc2c(C)cc(I)cc2C)c(C)c1 ZINC000408909068 556494518 /nfs/dbraw/zinc/49/45/18/556494518.db2.gz BXDMKZJQIGOXLW-UHFFFAOYSA-N 0 0 437.321 5.186 40 0 IKABRN O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408909650 556496587 /nfs/dbraw/zinc/49/65/87/556496587.db2.gz HPMFVXADNWHJNI-NTEUORMPSA-N 0 0 447.343 5.446 40 0 IKABRN Clc1ccc(-c2nnc3sc(-c4ccccc4-c4nc5ccccc5s4)nn32)cc1 ZINC000015085469 556502301 /nfs/dbraw/zinc/50/23/01/556502301.db2.gz MCJIPXAIZZYVJK-UHFFFAOYSA-N 0 0 445.960 6.450 40 0 IKABRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1Cl ZINC000408918360 556502588 /nfs/dbraw/zinc/50/25/88/556502588.db2.gz JOPPJWLZZFDWLB-LQDNNDEMSA-N 0 0 434.322 5.396 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000030753282 556503488 /nfs/dbraw/zinc/50/34/88/556503488.db2.gz SQFDETCSTBSXIV-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2C)cc1 ZINC000030752681 556503591 /nfs/dbraw/zinc/50/35/91/556503591.db2.gz XXVZVQMTGXCCCS-UHFFFAOYSA-N 0 0 442.968 5.030 40 0 IKABRN COc1cc(COc2ccc(/C=C3/N=C(C)OC3=O)cc2)ccc1OCc1ccccc1 ZINC000013407325 556504932 /nfs/dbraw/zinc/50/49/32/556504932.db2.gz DJKTVKPCRKYJOD-OEAKJJBVSA-N 0 0 429.472 5.169 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 ZINC000030757859 556505167 /nfs/dbraw/zinc/50/51/67/556505167.db2.gz FCALWWFNDYLCFX-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1cc(NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)o2)nn1Cc1ccccc1 ZINC000036611230 556506948 /nfs/dbraw/zinc/50/69/48/556506948.db2.gz WPGZFMRRPYNZGQ-UHFFFAOYSA-N 0 0 443.547 6.096 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000030847850 556507796 /nfs/dbraw/zinc/50/77/96/556507796.db2.gz CTROHXLNSKIVIL-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN Cc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)nn1C(C)C ZINC000036613598 556507887 /nfs/dbraw/zinc/50/78/87/556507887.db2.gz HZPVDEMNAHNJQM-UHFFFAOYSA-N 0 0 428.540 5.004 40 0 IKABRN COC(=O)c1c2c(sc1NC(=O)CSCc1ccc(Cl)c(Cl)c1)CCCC2 ZINC000030848230 556508060 /nfs/dbraw/zinc/50/80/60/556508060.db2.gz DWJZKXATMASEQX-UHFFFAOYSA-N 0 0 444.405 5.592 40 0 IKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000030848633 556508062 /nfs/dbraw/zinc/50/80/62/556508062.db2.gz IPNYYDWWPGGZEC-UHFFFAOYSA-N 0 0 441.552 6.902 40 0 IKABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)cc1 ZINC000030850010 556508404 /nfs/dbraw/zinc/50/84/04/556508404.db2.gz OXJJTHNCGZSKSM-QHCPKHFHSA-N 0 0 436.577 5.294 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)ccc21 ZINC000030850487 556508708 /nfs/dbraw/zinc/50/87/08/556508708.db2.gz YAJYBYJRNQEQSX-UHFFFAOYSA-N 0 0 443.399 6.993 40 0 IKABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000030850688 556508723 /nfs/dbraw/zinc/50/87/23/556508723.db2.gz ZUUFHXRWOCYZDT-UHFFFAOYSA-N 0 0 447.991 6.056 40 0 IKABRN COc1ccc([C@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OC ZINC000030852507 556509377 /nfs/dbraw/zinc/50/93/77/556509377.db2.gz SGGSEQXAERDZEB-INIZCTEOSA-N 0 0 425.912 5.427 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c2C)cc1 ZINC000030853479 556509599 /nfs/dbraw/zinc/50/95/99/556509599.db2.gz PJSMLHFXZGGBAK-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030854787 556509810 /nfs/dbraw/zinc/50/98/10/556509810.db2.gz JVBLINWWHZNSPO-UHFFFAOYSA-N 0 0 428.941 5.517 40 0 IKABRN Nc1c2cc3cc4c(cc3nc2sc1C(=O)Nc1ccccc1C(F)(F)F)OCCO4 ZINC000013503456 556509881 /nfs/dbraw/zinc/50/98/81/556509881.db2.gz LEKVHHGEDUBAOF-UHFFFAOYSA-N 0 0 445.422 5.074 40 0 IKABRN O=C(NC1CCCCC1)[C@@H](c1cccs1)N(CCc1ccccc1)C(=O)c1ccccn1 ZINC000013502062 556509901 /nfs/dbraw/zinc/50/99/01/556509901.db2.gz OIGPRJSVMSLLFU-XMMPIXPASA-N 0 0 447.604 5.018 40 0 IKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000030858104 556510486 /nfs/dbraw/zinc/51/04/86/556510486.db2.gz ROGLLDRKEFSNQF-GOSISDBHSA-N 0 0 448.868 6.567 40 0 IKABRN COc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1OC ZINC000030859278 556510753 /nfs/dbraw/zinc/51/07/53/556510753.db2.gz YHAVWNZNCCOBSN-GOSISDBHSA-N 0 0 437.561 5.366 40 0 IKABRN O=C(Nc1ccccc1Br)c1ccc(OCCSc2ccccc2)cc1 ZINC000030858918 556510761 /nfs/dbraw/zinc/51/07/61/556510761.db2.gz ZYXLRNCXYHPPMO-UHFFFAOYSA-N 0 0 428.351 5.873 40 0 IKABRN COC(=O)c1cc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)ccc1Cl ZINC000030859622 556510779 /nfs/dbraw/zinc/51/07/79/556510779.db2.gz FMPYXQZRBHWTNS-UHFFFAOYSA-N 0 0 441.936 5.550 40 0 IKABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000030860414 556510986 /nfs/dbraw/zinc/51/09/86/556510986.db2.gz KZPDVOJLROVQDG-HNNXBMFYSA-N 0 0 432.369 5.076 40 0 IKABRN COC(=O)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2OC2CCCC2)cc1 ZINC000036612792 556511049 /nfs/dbraw/zinc/51/10/49/556511049.db2.gz ZLXOXHGJVWHURN-RUZDIDTESA-N 0 0 442.515 5.566 40 0 IKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000030860253 556511087 /nfs/dbraw/zinc/51/10/87/556511087.db2.gz GFIJZZDKXUKCGG-NLFFAJNJSA-N 0 0 430.548 5.591 40 0 IKABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000030861022 556511093 /nfs/dbraw/zinc/51/10/93/556511093.db2.gz GGBARURKEPAHJJ-UHFFFAOYSA-N 0 0 447.991 6.056 40 0 IKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000030861646 556511342 /nfs/dbraw/zinc/51/13/42/556511342.db2.gz MJEIMNDSEMRGCV-YKSBVNFPSA-N 0 0 430.548 5.591 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)c(Cl)c2)cc1 ZINC000030864969 556511922 /nfs/dbraw/zinc/51/19/22/556511922.db2.gz OIXTUOGLUWZJMF-UHFFFAOYSA-N 0 0 440.952 5.042 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cc4c(ccc5ccccc45)o3)c2)cc1 ZINC000030866008 556512235 /nfs/dbraw/zinc/51/22/35/556512235.db2.gz UOHSMUWHWTZPKN-UHFFFAOYSA-N 0 0 447.534 7.367 40 0 IKABRN O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000015230967 556512979 /nfs/dbraw/zinc/51/29/79/556512979.db2.gz FTGWMAWRYWOGKN-SNZXGGJASA-N 0 0 430.498 6.514 40 0 IKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000030869439 556513122 /nfs/dbraw/zinc/51/31/22/556513122.db2.gz LZLAHMVCPQKKGA-QFIPXVFZSA-N 0 0 436.939 5.109 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)COc3cccc4ccccc43)c2)cc1 ZINC000030869378 556513194 /nfs/dbraw/zinc/51/31/94/556513194.db2.gz SMJCJBHYYPECTQ-UHFFFAOYSA-N 0 0 437.539 6.386 40 0 IKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(CN2CCOCC2)c1 ZINC000030870295 556513503 /nfs/dbraw/zinc/51/35/03/556513503.db2.gz ZFGLLWSYIXCFDP-UHFFFAOYSA-N 0 0 430.592 5.239 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000015276794 556514177 /nfs/dbraw/zinc/51/41/77/556514177.db2.gz ZTLJJZNAUGSGOF-UHFFFAOYSA-N 0 0 440.465 6.508 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000030938722 556515461 /nfs/dbraw/zinc/51/54/61/556515461.db2.gz MSJIAOFWUFPSEO-UHFFFAOYSA-N 0 0 442.184 5.607 40 0 IKABRN COc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1Br ZINC000037200386 556518517 /nfs/dbraw/zinc/51/85/17/556518517.db2.gz KTHUSIAFKZWJSG-UHFFFAOYSA-N 0 0 439.962 6.139 40 0 IKABRN O=c1[nH]c2c(cc1CNc1ccc(F)cc1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000013564716 556518606 /nfs/dbraw/zinc/51/86/06/556518606.db2.gz YWAQPQWHHNLTSY-UHFFFAOYSA-N 0 0 428.442 5.271 40 0 IKABRN Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccccc4)c(-c4ccccc4)c3n2)cc1 ZINC000408928128 556521845 /nfs/dbraw/zinc/52/18/45/556521845.db2.gz ZVMSPULPUWJRCS-UHFFFAOYSA-N 0 0 429.445 7.058 40 0 IKABRN CC(C)(C)CC(C)(C)N(CSc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 ZINC000031670205 556525398 /nfs/dbraw/zinc/52/53/98/556525398.db2.gz VGEPVMWVSYKROM-UHFFFAOYSA-N 0 0 442.521 8.310 40 0 IKABRN CC(=O)[C@@H](C[NH+](CC(C)C)CC(C)C)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841583 556526773 /nfs/dbraw/zinc/52/67/73/556526773.db2.gz WLJJKQXSWXBIGG-NOZRDPDXSA-N 0 0 449.591 5.450 40 0 IKABRN CCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032100706 556528701 /nfs/dbraw/zinc/52/87/01/556528701.db2.gz YUDVKTYLNNAFEX-HSZRJFAPSA-N 0 0 448.485 5.031 40 0 IKABRN Cc1c(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cccc1-c1nc2ncccc2o1 ZINC000032107008 556529995 /nfs/dbraw/zinc/52/99/95/556529995.db2.gz NQIJLCVSPKCIJB-FMIVXFBMSA-N 0 0 448.935 5.378 40 0 IKABRN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccccc3Cl)cc2c1C ZINC000036620997 556530045 /nfs/dbraw/zinc/53/00/45/556530045.db2.gz CTMIQPBHEHKWAK-IBGZPJMESA-N 0 0 447.940 5.097 40 0 IKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000032106999 556530058 /nfs/dbraw/zinc/53/00/58/556530058.db2.gz QBSUNGSSMWJBPD-GORDUTHDSA-N 0 0 435.532 6.070 40 0 IKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)cc4C)c3)nc2c1 ZINC000032109338 556530109 /nfs/dbraw/zinc/53/01/09/556530109.db2.gz FUEULPUHGOBSBX-UHFFFAOYSA-N 0 0 441.314 6.436 40 0 IKABRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC[C@@H](C)COc1ccccc1 ZINC000032109508 556530115 /nfs/dbraw/zinc/53/01/15/556530115.db2.gz HQRRYVRPFWBUDR-DKNZLLBESA-N 0 0 429.563 5.508 40 0 IKABRN CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000032111930 556530610 /nfs/dbraw/zinc/53/06/10/556530610.db2.gz BAMFKKKNMJLIHP-UHFFFAOYSA-N 0 0 442.515 6.425 40 0 IKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 ZINC000032114513 556530922 /nfs/dbraw/zinc/53/09/22/556530922.db2.gz CXEFGMPQXAURAY-UHFFFAOYSA-N 0 0 442.902 6.627 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000032114669 556531121 /nfs/dbraw/zinc/53/11/21/556531121.db2.gz VVQQJWBHFQEYKH-UHFFFAOYSA-N 0 0 442.515 6.425 40 0 IKABRN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 ZINC000032114853 556531187 /nfs/dbraw/zinc/53/11/87/556531187.db2.gz ZMXUEVRJZRJGLV-UHFFFAOYSA-N 0 0 442.849 6.468 40 0 IKABRN O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccccc1 ZINC000032114794 556531200 /nfs/dbraw/zinc/53/12/00/556531200.db2.gz WBKDXQVMXMJHFF-UHFFFAOYSA-N 0 0 443.862 5.553 40 0 IKABRN CC(C)c1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 ZINC000032115540 556531793 /nfs/dbraw/zinc/53/17/93/556531793.db2.gz FNSHILWQQPVUIC-UHFFFAOYSA-N 0 0 426.850 6.802 40 0 IKABRN CC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 ZINC000032115474 556531800 /nfs/dbraw/zinc/53/18/00/556531800.db2.gz SQRQCAJKYGJCJS-UHFFFAOYSA-N 0 0 442.849 6.466 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4cc(C)c(Cl)c(C)c4)ccc3o2)cc1C ZINC000032116609 556532434 /nfs/dbraw/zinc/53/24/34/556532434.db2.gz HWECWUXRSGBVBL-UHFFFAOYSA-N 0 0 434.923 6.399 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OCCC)cc3)sc2c1 ZINC000032119035 556533031 /nfs/dbraw/zinc/53/30/31/556533031.db2.gz AMCULZXEZXYRPY-UHFFFAOYSA-N 0 0 427.595 5.555 40 0 IKABRN Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 ZINC000032124882 556533719 /nfs/dbraw/zinc/53/37/19/556533719.db2.gz GCAHRHRHEGDTIR-UHFFFAOYSA-N 0 0 439.309 5.297 40 0 IKABRN Cc1cc2ccccc2n1CC(=O)Nc1ccc(I)cc1C(C)C ZINC000032125031 556534044 /nfs/dbraw/zinc/53/40/44/556534044.db2.gz MBHCWQJAAJMCFI-UHFFFAOYSA-N 0 0 432.305 5.316 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(F)cccc2F)cc1Cl ZINC000013609577 556534148 /nfs/dbraw/zinc/53/41/48/556534148.db2.gz RRTDSVAYYQGUBS-UHFFFAOYSA-N 0 0 440.833 5.368 40 0 IKABRN COc1cc(-c2nc3sc4ccccc4c3c(=O)[nH]2)ccc1OCc1ccc(Cl)cc1 ZINC000032125242 556534604 /nfs/dbraw/zinc/53/46/04/556534604.db2.gz XDPDRBXECCJLJT-UHFFFAOYSA-N 0 0 448.931 6.046 40 0 IKABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 ZINC000015565316 556535063 /nfs/dbraw/zinc/53/50/63/556535063.db2.gz TYBVNEVAEJNZHT-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN Cc1cc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)ccc1Cl ZINC000032126201 556535232 /nfs/dbraw/zinc/53/52/32/556535232.db2.gz UXTXCBNJVMDOEB-UHFFFAOYSA-N 0 0 442.902 6.627 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 ZINC000032126400 556535441 /nfs/dbraw/zinc/53/54/41/556535441.db2.gz UYHCTAFYZBTUHP-CQSZACIVSA-N 0 0 435.553 5.001 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)c1 ZINC000015588164 556536048 /nfs/dbraw/zinc/53/60/48/556536048.db2.gz MRMQOZLKNNYJCX-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN COc1ccc(Br)cc1C(=O)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000032127323 556536350 /nfs/dbraw/zinc/53/63/50/556536350.db2.gz RZKWPEHHFLICBT-UHFFFAOYSA-N 0 0 432.126 5.627 40 0 IKABRN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc(Br)cc1 ZINC000032127830 556536854 /nfs/dbraw/zinc/53/68/54/556536854.db2.gz NLTSDBSEGOODCY-UHFFFAOYSA-N 0 0 443.300 6.663 40 0 IKABRN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1F ZINC000032204031 556537511 /nfs/dbraw/zinc/53/75/11/556537511.db2.gz NBNGPXZBEFVVPD-UHFFFAOYSA-N 0 0 425.872 5.414 40 0 IKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1Br ZINC000013627963 556537696 /nfs/dbraw/zinc/53/76/96/556537696.db2.gz PKJIGGRPHNCTPM-UHFFFAOYSA-N 0 0 429.339 5.128 40 0 IKABRN COc1ccccc1/C=C/C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628061 556537919 /nfs/dbraw/zinc/53/79/19/556537919.db2.gz RTWNNBLPGFVDTC-SAPNQHFASA-N 0 0 428.532 5.897 40 0 IKABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628243 556538000 /nfs/dbraw/zinc/53/80/00/556538000.db2.gz UVERTZRCHBNDBE-IBGZPJMESA-N 0 0 430.548 5.951 40 0 IKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628319 556538049 /nfs/dbraw/zinc/53/80/49/556538049.db2.gz SDLGSPIDNZTRTR-RUZDIDTESA-N 0 0 444.575 6.341 40 0 IKABRN O=C1C[C@H](c2ccco2)Cc2nc3nc(SCc4cccc5ccccc54)nn3cc21 ZINC000013634345 556540105 /nfs/dbraw/zinc/54/01/05/556540105.db2.gz BUKINVRCMYLRJM-QGZVFWFLSA-N 0 0 426.501 5.076 40 0 IKABRN O=C1C[C@H](c2cccs2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 ZINC000013634395 556540201 /nfs/dbraw/zinc/54/02/01/556540201.db2.gz YMLDJIWPBKDZBW-CYBMUJFWSA-N 0 0 426.954 5.044 40 0 IKABRN O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 ZINC000013634399 556540224 /nfs/dbraw/zinc/54/02/24/556540224.db2.gz YMLDJIWPBKDZBW-ZDUSSCGKSA-N 0 0 426.954 5.044 40 0 IKABRN CCCOc1ccc([C@H]2C(C(=O)OC)C(c3ccccc3)=Nc3nc4ccccc4n32)cc1 ZINC000013634964 556540566 /nfs/dbraw/zinc/54/05/66/556540566.db2.gz APTHEPLOFRJLME-VWLOTQADSA-N 0 0 439.515 5.424 40 0 IKABRN CC1=Nc2nc3ccccc3n2[C@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OC(C)C ZINC000013635017 556540610 /nfs/dbraw/zinc/54/06/10/556540610.db2.gz MIQHAXRLDLWIIT-RUZDIDTESA-N 0 0 439.515 6.069 40 0 IKABRN COc1ccc(C)cc1NC(=O)c1nnc2c(-c3cccc4ccccc43)c(C)nn2c1C ZINC000013635737 556541214 /nfs/dbraw/zinc/54/12/14/556541214.db2.gz TXCLIYYTIPSXFT-UHFFFAOYSA-N 0 0 437.503 5.131 40 0 IKABRN Cc1nn2c(nnc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1cccc2ccccc21 ZINC000013635704 556541220 /nfs/dbraw/zinc/54/12/20/556541220.db2.gz SEDKJXGJWZBUIJ-UHFFFAOYSA-N 0 0 427.895 5.467 40 0 IKABRN COCc1nn2c(ncc3c2C[C@@H](c2ccccc2OC)CC3=O)c1-c1cccc(Cl)c1 ZINC000013638374 556541901 /nfs/dbraw/zinc/54/19/01/556541901.db2.gz JIYZOZGVDYJSEE-MRXNPFEDSA-N 0 0 447.922 5.117 40 0 IKABRN CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000013647671 556544525 /nfs/dbraw/zinc/54/45/25/556544525.db2.gz AVKDJEGWEJSQIA-XMMPIXPASA-N 0 0 436.964 5.391 40 0 IKABRN CCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408949111 556548145 /nfs/dbraw/zinc/54/81/45/556548145.db2.gz DTDUYOHGDGBECP-APPDUMDISA-N 0 0 441.277 5.180 40 0 IKABRN O=C([O-])c1ccccc1-[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000015770216 556550189 /nfs/dbraw/zinc/55/01/89/556550189.db2.gz BXFPIDKBHIVJQJ-UHFFFAOYSA-O 0 0 428.511 6.663 40 0 IKABRN O=C(Nc1ccc(F)cc1F)N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000015778780 556550829 /nfs/dbraw/zinc/55/08/29/556550829.db2.gz OQRPXSIAUPBAQY-LJQANCHMSA-N 0 0 440.837 5.579 40 0 IKABRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1SCc1ccccc1 ZINC000013677667 556555042 /nfs/dbraw/zinc/55/50/42/556555042.db2.gz DYKBSEXOKGPIGL-UHFFFAOYSA-N 0 0 444.600 6.247 40 0 IKABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1C ZINC000013677446 556555087 /nfs/dbraw/zinc/55/50/87/556555087.db2.gz VLTWSMHNAQJEQU-UHFFFAOYSA-N 0 0 442.968 5.247 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000013678889 556555636 /nfs/dbraw/zinc/55/56/36/556555636.db2.gz KRRKQLPOIYFICZ-UHFFFAOYSA-N 0 0 428.579 5.257 40 0 IKABRN O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(Br)c(Cl)c1 ZINC000013679310 556555774 /nfs/dbraw/zinc/55/57/74/556555774.db2.gz BQTYMTQNGFVCOR-UHFFFAOYSA-N 0 0 429.550 5.351 40 0 IKABRN CC1=C(C(=O)OC(C)(C)C)C(c2c(F)cccc2Cl)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000033452462 556564405 /nfs/dbraw/zinc/56/44/05/556564405.db2.gz OCJXIABZUJKSKW-UHFFFAOYSA-N 0 0 437.939 5.397 40 0 IKABRN CCOC(=O)[C@H]1C(=O)Oc2ccccc2[C@@H]1[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000033821792 556568177 /nfs/dbraw/zinc/56/81/77/556568177.db2.gz HCCASHTVIJTISL-ZLNRFVROSA-N 0 0 448.902 5.189 40 0 IKABRN CN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000016188744 556588553 /nfs/dbraw/zinc/58/85/53/556588553.db2.gz MWTCFBIATKTZAR-UHFFFAOYSA-N 0 0 432.829 6.258 40 0 IKABRN COc1cc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc(OC)c1OC ZINC000016195247 556589903 /nfs/dbraw/zinc/58/99/03/556589903.db2.gz WLWBMFUAKDSILB-UHFFFAOYSA-N 0 0 433.529 6.327 40 0 IKABRN COc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195655 556590158 /nfs/dbraw/zinc/59/01/58/556590158.db2.gz HRWBWVNBEYMJDP-UHFFFAOYSA-N 0 0 437.754 5.919 40 0 IKABRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196319 556590668 /nfs/dbraw/zinc/59/06/68/556590668.db2.gz DWXYMQJGEIFKKB-UHFFFAOYSA-N 0 0 446.330 5.569 40 0 IKABRN COc1ccc(-c2csc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)n2)cc1 ZINC000016217458 556592099 /nfs/dbraw/zinc/59/20/99/556592099.db2.gz UWMZZJVIJATZBR-VMPITWQZSA-N 0 0 435.332 5.786 40 0 IKABRN COc1ccc(Cl)cc1C(=O)NC(=S)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000016226773 556592861 /nfs/dbraw/zinc/59/28/61/556592861.db2.gz YJOFRHXVRZLVHG-UHFFFAOYSA-N 0 0 446.959 6.355 40 0 IKABRN COc1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c(Cl)cccc23)c1 ZINC000016228079 556593244 /nfs/dbraw/zinc/59/32/44/556593244.db2.gz KHYOFHIPCJTYBV-UHFFFAOYSA-N 0 0 446.890 5.587 40 0 IKABRN COc1cccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c1OCc1ccc(Cl)cc1Cl ZINC000016228254 556593557 /nfs/dbraw/zinc/59/35/57/556593557.db2.gz ZNOODDPTMJJMIX-UHFFFAOYSA-N 0 0 446.330 5.569 40 0 IKABRN Cc1nc2ccccc2nc1CNc1ccc(C(=O)OCc2nc3ccccc3nc2C)cc1 ZINC000016265226 556595344 /nfs/dbraw/zinc/59/53/44/556595344.db2.gz XQRGAJFEZYEUMJ-UHFFFAOYSA-N 0 0 449.514 5.159 40 0 IKABRN COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=S)Nc1ccc(Cl)cc1 ZINC000016268151 556596020 /nfs/dbraw/zinc/59/60/20/556596020.db2.gz WEARIXFFLCOFAJ-UHFFFAOYSA-N 0 0 425.941 5.718 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)COc3ccc(C(C)(C)C)cc3)nc2cc1Cl ZINC000016284243 556596982 /nfs/dbraw/zinc/59/69/82/556596982.db2.gz LJCOULIOWFCZLV-UHFFFAOYSA-N 0 0 448.013 5.448 40 0 IKABRN Cc1cc(SC(=O)c2ccc(Cl)cc2)nc(SC(=O)c2ccc(Cl)cc2)n1 ZINC000016283698 556597014 /nfs/dbraw/zinc/59/70/14/556597014.db2.gz DAVZSCCFLUWGEC-UHFFFAOYSA-N 0 0 435.357 5.957 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000016284416 556597207 /nfs/dbraw/zinc/59/72/07/556597207.db2.gz GOEUIKFVEMLPPR-UHFFFAOYSA-N 0 0 447.325 6.441 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000016284405 556597220 /nfs/dbraw/zinc/59/72/20/556597220.db2.gz FJHOIAUOWBMRTP-UHFFFAOYSA-N 0 0 442.906 5.796 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1ccccc1Cl ZINC000016284372 556597231 /nfs/dbraw/zinc/59/72/31/556597231.db2.gz KDSNGKBVBPOOKC-UHFFFAOYSA-N 0 0 442.906 5.553 40 0 IKABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1C ZINC000100846765 556597344 /nfs/dbraw/zinc/59/73/44/556597344.db2.gz JTNIFZSWZPIHRK-VJBWXMMDSA-N 0 0 432.907 5.008 40 0 IKABRN Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 ZINC000016291861 556597954 /nfs/dbraw/zinc/59/79/54/556597954.db2.gz JDWWHGSWCJWVCG-UHFFFAOYSA-N 0 0 432.570 5.219 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c2ccccc12 ZINC000016291436 556597985 /nfs/dbraw/zinc/59/79/85/556597985.db2.gz RXGQNIRXDKHMSD-UHFFFAOYSA-N 0 0 447.321 7.516 40 0 IKABRN Cc1ccc(C(=O)N2CCC(CCCC3CCN(C(=O)c4ccc(C)cc4)CC3)CC2)cc1 ZINC000016291897 556597994 /nfs/dbraw/zinc/59/79/94/556597994.db2.gz DLTBOIGCADTVIF-UHFFFAOYSA-N 0 0 446.635 5.878 40 0 IKABRN Cc1ccc(NC(=O)Nc2cc(Cl)c(NC(=O)Nc3ccc(C)cc3)cc2Cl)cc1 ZINC000016293097 556598452 /nfs/dbraw/zinc/59/84/52/556598452.db2.gz UUWCJGFXJMJXGR-UHFFFAOYSA-N 0 0 443.334 6.898 40 0 IKABRN Cc1cc(C)n(C[C@H](O)Cn2c3ccccc3c(-c3ccccc3)c2-c2ccccc2)c(=O)n1 ZINC000036624823 556598591 /nfs/dbraw/zinc/59/85/91/556598591.db2.gz UJIYZTFDPNZRJR-DEOSSOPVSA-N 0 0 449.554 5.210 40 0 IKABRN Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000036625086 556598643 /nfs/dbraw/zinc/59/86/43/556598643.db2.gz GTZVSIHMGXFGDR-UHFFFAOYSA-N 0 0 430.598 6.825 40 0 IKABRN CC(=O)OCCc1sc(=O)[nH]c1N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000036633830 556599391 /nfs/dbraw/zinc/59/93/91/556599391.db2.gz RCDGZWSJOUUUQB-UXHICEINSA-N 0 0 441.940 5.078 40 0 IKABRN Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1C ZINC000016311901 556599796 /nfs/dbraw/zinc/59/97/96/556599796.db2.gz IOHRRUFKGABSJZ-SANMLTNESA-N 0 0 432.995 6.093 40 0 IKABRN CC(C)(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)Nc4cccc(Cl)c4)nc3C2)cc1 ZINC000016323187 556600603 /nfs/dbraw/zinc/60/06/03/556600603.db2.gz GXYRYGOGALPOLP-INIZCTEOSA-N 0 0 448.954 5.984 40 0 IKABRN CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3OCc3ccccc3Cl)C(=O)O2)cc1 ZINC000016323181 556600621 /nfs/dbraw/zinc/60/06/21/556600621.db2.gz BIFVYZFHJIFDNW-KQWNVCNZSA-N 0 0 445.946 6.561 40 0 IKABRN CC(C)(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)Nc4cccc(Cl)c4)nc3C2)cc1 ZINC000016323189 556600636 /nfs/dbraw/zinc/60/06/36/556600636.db2.gz GXYRYGOGALPOLP-MRXNPFEDSA-N 0 0 448.954 5.984 40 0 IKABRN Cc1ccc(NC(=O)OCc2ccc(F)cc2)cc1NC(=O)OCc1ccc(F)cc1 ZINC000016347539 556601851 /nfs/dbraw/zinc/60/18/51/556601851.db2.gz FZDHJXWPOYCTBP-UHFFFAOYSA-N 0 0 426.419 5.771 40 0 IKABRN Cc1ccc2nc(-c3ccc(NCc4ccccc4OCc4ccccc4)cc3)sc2c1 ZINC000016348780 556602096 /nfs/dbraw/zinc/60/20/96/556602096.db2.gz MIRNETJCXBJSGI-UHFFFAOYSA-N 0 0 436.580 7.463 40 0 IKABRN CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@H]3C/C(=C\c4cnn(C)c4)[C@H](O)[C@]3(C)CC[C@@H]21 ZINC000071782839 556604769 /nfs/dbraw/zinc/60/47/69/556604769.db2.gz IBNFQZMCZXLXIE-GVDKLWBZSA-N 0 0 448.651 6.290 40 0 IKABRN CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)[C@H](O)[C@]3(C)CC[C@@H]21 ZINC000071782838 556604833 /nfs/dbraw/zinc/60/48/33/556604833.db2.gz IBNFQZMCZXLXIE-OHROCVQLSA-N 0 0 448.651 6.290 40 0 IKABRN O=C(Nc1cccc(Cl)c1)OCC[C@@H]1CCCCN1C(=O)Nc1cccc(Cl)c1 ZINC000016398959 556604980 /nfs/dbraw/zinc/60/49/80/556604980.db2.gz PUKOGOWPWDAUQN-IBGZPJMESA-N 0 0 436.339 6.019 40 0 IKABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(Cl)cc2)C1)Nc1ccc(Cl)cc1 ZINC000016428368 556607034 /nfs/dbraw/zinc/60/70/34/556607034.db2.gz DTRINMQUDXHKSE-IYBDPMFKSA-N 0 0 449.382 5.743 40 0 IKABRN O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)Nc1ccc(F)cc1 ZINC000016429371 556607234 /nfs/dbraw/zinc/60/72/34/556607234.db2.gz YLNNKHWSSSUOTD-UHFFFAOYSA-N 0 0 427.932 5.546 40 0 IKABRN O=C(Nc1nc2ccccc2[nH]1)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O ZINC000016450185 556609158 /nfs/dbraw/zinc/60/91/58/556609158.db2.gz MDMKUJYDZDAGJI-UHFFFAOYSA-N 0 0 429.863 5.166 40 0 IKABRN BrC1(Br)[C@H]2C[C@@]34CCCCCCCCCCCC[C@@]21C[C@H]3C4 ZINC000071785837 556609181 /nfs/dbraw/zinc/60/91/81/556609181.db2.gz QCLYBYFXWFMUIO-YDZRNGNQSA-N 0 0 432.284 7.584 40 0 IKABRN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)C(c1ccccc1)c1ccccc1 ZINC000016477713 556610928 /nfs/dbraw/zinc/61/09/28/556610928.db2.gz XVQZRTHQAHUCSX-UHFFFAOYSA-N 0 0 438.918 5.845 40 0 IKABRN O=C(/N=c1\scc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccccc1 ZINC000100930860 556611634 /nfs/dbraw/zinc/61/16/34/556611634.db2.gz QYORWCSPODCLOY-GYHWCHFESA-N 0 0 435.346 5.709 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408972929 556611686 /nfs/dbraw/zinc/61/16/86/556611686.db2.gz HXWQMBHXDYQFRJ-DEOSSOPVSA-N 0 0 436.964 5.409 40 0 IKABRN O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1ccc(F)cc1 ZINC000408973092 556611836 /nfs/dbraw/zinc/61/18/36/556611836.db2.gz YPQLOQGCXTUONE-XGICHPGQSA-N 0 0 426.683 6.345 40 0 IKABRN O=S(=O)(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccccc1 ZINC000016491540 556612553 /nfs/dbraw/zinc/61/25/53/556612553.db2.gz SUTKQWRNOIGWKC-UHFFFAOYSA-N 0 0 429.295 5.058 40 0 IKABRN O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccc(Br)cc1 ZINC000016492790 556612735 /nfs/dbraw/zinc/61/27/35/556612735.db2.gz SMBCZNYQLXYZAL-UHFFFAOYSA-N 0 0 428.351 5.245 40 0 IKABRN O=C(CSc1nccc(-c2ccccc2)n1)N1c2ccccc2Sc2ccccc21 ZINC000016493279 556612790 /nfs/dbraw/zinc/61/27/90/556612790.db2.gz ZLNBHBKXXMQHGJ-UHFFFAOYSA-N 0 0 427.554 6.065 40 0 IKABRN Cc1ccc(C)c(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 ZINC000408973945 556613090 /nfs/dbraw/zinc/61/30/90/556613090.db2.gz RBSCRGFJBDNERZ-AREMUKBSSA-N 0 0 430.573 5.372 40 0 IKABRN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1cc2ccccc2oc1=O ZINC000016525598 556614060 /nfs/dbraw/zinc/61/40/60/556614060.db2.gz DNABPMDMBAGZQL-UHFFFAOYSA-N 0 0 432.819 5.213 40 0 IKABRN CCc1ccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000100946023 556615033 /nfs/dbraw/zinc/61/50/33/556615033.db2.gz SDKLWRWAVXGWGH-PVHODMMVSA-N 0 0 448.522 5.453 40 0 IKABRN CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)C1CCCC1 ZINC000038752928 556616263 /nfs/dbraw/zinc/61/62/63/556616263.db2.gz JAONOXCOKMHYSD-HSZRJFAPSA-N 0 0 428.985 5.129 40 0 IKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000038753755 556616800 /nfs/dbraw/zinc/61/68/00/556616800.db2.gz WOHVYMVIUMXVPL-RUZDIDTESA-N 0 0 443.930 6.520 40 0 IKABRN CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000038754039 556616810 /nfs/dbraw/zinc/61/68/10/556616810.db2.gz MRAXKQJITHVKSU-SFHVURJKSA-N 0 0 441.549 5.316 40 0 IKABRN CC1(C)Cc2c3ccccc3ccc2C(CC2=NC(C)(C)Cc3c4ccccc4ccc32)=N1 ZINC000016605271 556616843 /nfs/dbraw/zinc/61/68/43/556616843.db2.gz QVYAZAZIEROJFF-UHFFFAOYSA-N 0 0 430.595 7.331 40 0 IKABRN O=C(Nc1cccc2ccccc21)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000038754624 556616912 /nfs/dbraw/zinc/61/69/12/556616912.db2.gz NWAXBBHMCUNCET-UHFFFAOYSA-N 0 0 436.920 5.546 40 0 IKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1OC ZINC000038754499 556616975 /nfs/dbraw/zinc/61/69/75/556616975.db2.gz FVQFGVXRYKWWAA-JTQLQIEISA-N 0 0 430.751 5.239 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3c(C)cccc3C)c2)cc1 ZINC000038755444 556617541 /nfs/dbraw/zinc/61/75/41/556617541.db2.gz BSDSSEGZYHVGIP-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cc(C)cc(C)c4)c3)nc2c1 ZINC000016610691 556617605 /nfs/dbraw/zinc/61/76/05/556617605.db2.gz RTVPTRJLEQHXNM-LJQANCHMSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nc2c1 ZINC000016610665 556617618 /nfs/dbraw/zinc/61/76/18/556617618.db2.gz HKRGAQBXRPRNEI-PRDNPTHXSA-N 0 0 438.571 7.784 40 0 IKABRN Cc1ccc(OCCCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000038755553 556617819 /nfs/dbraw/zinc/61/78/19/556617819.db2.gz DILQVFDRICHMOP-UHFFFAOYSA-N 0 0 429.560 6.321 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(O[C@@H](C)CC)cc4)c3)nc2c1 ZINC000016610833 556617811 /nfs/dbraw/zinc/61/78/11/556617811.db2.gz OUAGCOJMGMIIIM-MOPGFXCFSA-N 0 0 442.559 7.438 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000016610851 556617877 /nfs/dbraw/zinc/61/78/77/556617877.db2.gz FZDDAWRPLVVRLY-AWEZNQCLSA-N 0 0 439.342 7.567 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4C)c3)nc2c1 ZINC000016611246 556618108 /nfs/dbraw/zinc/61/81/08/556618108.db2.gz CGUVAYHZBXJAJE-MRXNPFEDSA-N 0 0 443.572 6.444 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4Br)c3)nc2c1 ZINC000016610915 556618123 /nfs/dbraw/zinc/61/81/23/556618123.db2.gz ZEDMHBFFLXTXHS-HNNXBMFYSA-N 0 0 449.348 7.023 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(C)c4)c3)nc2c1 ZINC000016611189 556618128 /nfs/dbraw/zinc/61/81/28/556618128.db2.gz BVWJUORHALDEAF-KRWDZBQOSA-N 0 0 443.572 6.444 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccs4)c3)nc2c1 ZINC000016611265 556618154 /nfs/dbraw/zinc/61/81/54/556618154.db2.gz OTGDNAOMXWLUHB-CQSZACIVSA-N 0 0 435.574 6.197 40 0 IKABRN CCCCCC(=O)N[C@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl ZINC000016637788 556619281 /nfs/dbraw/zinc/61/92/81/556619281.db2.gz MJKKRTCKPGXPPG-ZDUSSCGKSA-N 0 0 440.120 6.164 40 0 IKABRN CCCCCC(=O)N[C@@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl ZINC000016637785 556619297 /nfs/dbraw/zinc/61/92/97/556619297.db2.gz MJKKRTCKPGXPPG-CYBMUJFWSA-N 0 0 440.120 6.164 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000038772430 556619409 /nfs/dbraw/zinc/61/94/09/556619409.db2.gz JXWATDKJGZUUTM-UHFFFAOYSA-N 0 0 440.590 5.017 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccccc1 ZINC000038772600 556619476 /nfs/dbraw/zinc/61/94/76/556619476.db2.gz FZSRNMGZBWYGEC-OAQYLSRUSA-N 0 0 442.968 5.330 40 0 IKABRN COCc1nn2c(ncc(C(=O)Nc3ccccc3C(F)(F)F)c2C)c1-c1ccccc1 ZINC000038829711 556621081 /nfs/dbraw/zinc/62/10/81/556621081.db2.gz LORCRHRXBCYHSX-UHFFFAOYSA-N 0 0 440.425 5.122 40 0 IKABRN COCc1nn2c(ncc(C(=O)Nc3ccccc3Cl)c2C)c1-c1ccc(Cl)cc1 ZINC000038829789 556621229 /nfs/dbraw/zinc/62/12/29/556621229.db2.gz WSCFCFUUCCBZOB-UHFFFAOYSA-N 0 0 441.318 5.410 40 0 IKABRN COCc1nn2c(ncc(C(=O)Nc3ccccc3Cl)c2C)c1-c1cccc(Cl)c1 ZINC000038829823 556621275 /nfs/dbraw/zinc/62/12/75/556621275.db2.gz SXYPNKNXWHANLB-UHFFFAOYSA-N 0 0 441.318 5.410 40 0 IKABRN COCc1nn2c(ncc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1cccc(Cl)c1 ZINC000038829819 556621277 /nfs/dbraw/zinc/62/12/77/556621277.db2.gz VTHQHXLRXNJGLI-UHFFFAOYSA-N 0 0 441.318 5.410 40 0 IKABRN COCc1nn2c(ncc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1ccc(Cl)cc1 ZINC000038829785 556621326 /nfs/dbraw/zinc/62/13/26/556621326.db2.gz WQHMJNCTWAHKIH-UHFFFAOYSA-N 0 0 441.318 5.410 40 0 IKABRN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038833937 556622191 /nfs/dbraw/zinc/62/21/91/556622191.db2.gz BIUBGRCRLFYZCX-CYBMUJFWSA-N 0 0 442.184 5.607 40 0 IKABRN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038833933 556622216 /nfs/dbraw/zinc/62/22/16/556622216.db2.gz CIHXZHHIVKVUBJ-CQSZACIVSA-N 0 0 442.184 5.607 40 0 IKABRN O=C(Nc1ccccc1Br)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038834905 556622758 /nfs/dbraw/zinc/62/27/58/556622758.db2.gz FMUSLHCOGXGBPI-UHFFFAOYSA-N 0 0 442.184 5.607 40 0 IKABRN CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834598 556622780 /nfs/dbraw/zinc/62/27/80/556622780.db2.gz UEKRADXYHLNGEW-UHFFFAOYSA-N 0 0 435.351 5.021 40 0 IKABRN O=C(Nc1ccccc1Br)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038834904 556622791 /nfs/dbraw/zinc/62/27/91/556622791.db2.gz WOHCAZMQROVPCL-UHFFFAOYSA-N 0 0 442.184 5.607 40 0 IKABRN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038834716 556622794 /nfs/dbraw/zinc/62/27/94/556622794.db2.gz ULAGYQFSEKWLAU-UHFFFAOYSA-N 0 0 431.285 5.863 40 0 IKABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038834703 556622845 /nfs/dbraw/zinc/62/28/45/556622845.db2.gz BDQNHVRDWUVXHN-CYBMUJFWSA-N 0 0 431.285 5.863 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038835526 556623008 /nfs/dbraw/zinc/62/30/08/556623008.db2.gz ZRTUBYSLLJGCAU-UHFFFAOYSA-N 0 0 442.184 5.607 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038835010 556623015 /nfs/dbraw/zinc/62/30/15/556623015.db2.gz WSJIWEBSWOQVJR-ZDUSSCGKSA-N 0 0 432.178 6.151 40 0 IKABRN O=C(NCCSCc1ccccc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038837064 556623414 /nfs/dbraw/zinc/62/34/14/556623414.db2.gz NMEYQTHTAOHGDX-UHFFFAOYSA-N 0 0 437.436 5.255 40 0 IKABRN O=C(NCCSCc1ccccc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038837067 556623419 /nfs/dbraw/zinc/62/34/19/556623419.db2.gz RNKQPIJAFYLEDV-UHFFFAOYSA-N 0 0 437.436 5.255 40 0 IKABRN COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1Cl ZINC000038850235 556624508 /nfs/dbraw/zinc/62/45/08/556624508.db2.gz QJYRICJEQFJFPY-UHFFFAOYSA-N 0 0 427.759 5.506 40 0 IKABRN O=C(NCCSC1CCCCC1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038852838 556624986 /nfs/dbraw/zinc/62/49/86/556624986.db2.gz HIWUKYDCFAGJEH-UHFFFAOYSA-N 0 0 429.457 5.388 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C=C3c4ccccc4-c4ccccc43)cc2)cc1 ZINC000016687872 556625665 /nfs/dbraw/zinc/62/56/65/556625665.db2.gz VRAXHRQYOJIMFP-UHFFFAOYSA-N 0 0 445.518 6.685 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038860425 556626442 /nfs/dbraw/zinc/62/64/42/556626442.db2.gz PKMTWYUQKOLVAP-UHFFFAOYSA-N 0 0 441.291 5.319 40 0 IKABRN CCOc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 ZINC000016689079 556626953 /nfs/dbraw/zinc/62/69/53/556626953.db2.gz DVKWDAIRHCTFKD-UHFFFAOYSA-N 0 0 425.912 5.306 40 0 IKABRN CCOc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccccc1Cl ZINC000016689268 556627344 /nfs/dbraw/zinc/62/73/44/556627344.db2.gz GUUGWFRJCNHTOD-UHFFFAOYSA-N 0 0 425.912 5.306 40 0 IKABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000039330105 556627629 /nfs/dbraw/zinc/62/76/29/556627629.db2.gz JXYVVXLWNAFNTI-GDLZYMKVSA-N 0 0 448.566 5.316 40 0 IKABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000039330103 556627733 /nfs/dbraw/zinc/62/77/33/556627733.db2.gz JXYVVXLWNAFNTI-LJAQVGFWSA-N 0 0 448.566 5.316 40 0 IKABRN O=C1SC[C@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)N1Cc1ccccc1 ZINC000016712009 556630012 /nfs/dbraw/zinc/63/00/12/556630012.db2.gz XASMYCNNQLLLHV-DHLKQENFSA-N 0 0 427.529 5.253 40 0 IKABRN S=C(NCCC1=CCCCC1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408977351 556630075 /nfs/dbraw/zinc/63/00/75/556630075.db2.gz ILUKXUFTRNSYNI-UHFFFAOYSA-N 0 0 442.592 5.797 40 0 IKABRN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32CSC(=O)N2c2ccccc2)cc1 ZINC000016712038 556630123 /nfs/dbraw/zinc/63/01/23/556630123.db2.gz GYYCHPLVFWVGCJ-WIOPSUGQSA-N 0 0 443.528 5.266 40 0 IKABRN CCCCN(CCCC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016712879 556630512 /nfs/dbraw/zinc/63/05/12/556630512.db2.gz GNHBOSIJXVNEGT-UHFFFAOYSA-N 0 0 447.026 7.456 40 0 IKABRN Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc(Cl)cc2C)c2ccccc2)cc1 ZINC000408977835 556633298 /nfs/dbraw/zinc/63/32/98/556633298.db2.gz FVXAADZDCJAVRN-JOCHJYFZSA-N 0 0 442.968 5.005 40 0 IKABRN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O ZINC000040251460 556634247 /nfs/dbraw/zinc/63/42/47/556634247.db2.gz VRIDPZPRNYFQEE-LJQANCHMSA-N 0 0 445.950 5.598 40 0 IKABRN Cc1c(C(=O)Nc2ccc(Cl)cc2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn21 ZINC000040385062 556635810 /nfs/dbraw/zinc/63/58/10/556635810.db2.gz PKEHHODPGYWPMR-UHFFFAOYSA-N 0 0 440.334 5.782 40 0 IKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2cc(C)ccc2C)c1 ZINC000016757706 556639463 /nfs/dbraw/zinc/63/94/63/556639463.db2.gz WNBSSVOQVOHFTN-UHFFFAOYSA-N 0 0 435.596 7.305 40 0 IKABRN CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757691 556639532 /nfs/dbraw/zinc/63/95/32/556639532.db2.gz LLIVPKUCYNONHY-NRFANRHFSA-N 0 0 431.561 5.830 40 0 IKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397461 556639557 /nfs/dbraw/zinc/63/95/57/556639557.db2.gz QOGRGOCYMYDUNM-CKJXQJPGSA-N 0 0 434.971 5.924 40 0 IKABRN Fc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000016757866 556639630 /nfs/dbraw/zinc/63/96/30/556639630.db2.gz SIXVTTDBCZRMDJ-UHFFFAOYSA-N 0 0 445.950 7.172 40 0 IKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccc(F)cc2)c1 ZINC000016757671 556639636 /nfs/dbraw/zinc/63/96/36/556639636.db2.gz UJYDUOLFQCNIEY-UHFFFAOYSA-N 0 0 425.532 6.827 40 0 IKABRN Cc1nn2c(ncc3c2ccn(Cc2ccc(Cl)cc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397595 556639692 /nfs/dbraw/zinc/63/96/92/556639692.db2.gz HQTMTBKVEIGXMV-UHFFFAOYSA-N 0 0 435.314 5.375 40 0 IKABRN CC[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757968 556639709 /nfs/dbraw/zinc/63/97/09/556639709.db2.gz WIHPLQVNCKYQRM-OAHLLOKOSA-N 0 0 438.394 6.741 40 0 IKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccccc2)cc1Cl ZINC000016758042 556639768 /nfs/dbraw/zinc/63/97/68/556639768.db2.gz KXLQUOFXVSYHEU-UHFFFAOYSA-N 0 0 441.987 7.342 40 0 IKABRN Cc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757886 556639812 /nfs/dbraw/zinc/63/98/12/556639812.db2.gz UVQFWEFTNXEJNR-UHFFFAOYSA-N 0 0 441.987 7.342 40 0 IKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(C)Cc2ccccc2)cc1Cl ZINC000016768305 556640181 /nfs/dbraw/zinc/64/01/81/556640181.db2.gz IQBXFEMGRCQOSM-UHFFFAOYSA-N 0 0 438.962 6.686 40 0 IKABRN COc1cc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1C ZINC000016778772 556640773 /nfs/dbraw/zinc/64/07/73/556640773.db2.gz MFASIAOHSCOZTO-QFIPXVFZSA-N 0 0 449.890 5.410 40 0 IKABRN Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@H](Sc2ccccc2)CS1 ZINC000016779188 556641021 /nfs/dbraw/zinc/64/10/21/556641021.db2.gz FPHWAICXXZYOFX-UYAOXDASSA-N 0 0 436.627 5.931 40 0 IKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000016780233 556641317 /nfs/dbraw/zinc/64/13/17/556641317.db2.gz QNXOLOHTSBEZRO-UHFFFAOYSA-N 0 0 435.980 6.193 40 0 IKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2-c2ccc(C)cc2)cc1 ZINC000016788795 556641926 /nfs/dbraw/zinc/64/19/26/556641926.db2.gz TYVYEJILBGENHY-UHFFFAOYSA-N 0 0 442.588 5.899 40 0 IKABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccc(C)cc2)cc1 ZINC000016788834 556641932 /nfs/dbraw/zinc/64/19/32/556641932.db2.gz ZRSXLHLYDWFGBK-UHFFFAOYSA-N 0 0 448.523 5.121 40 0 IKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2-c2ccccc2)cc1 ZINC000016788769 556641936 /nfs/dbraw/zinc/64/19/36/556641936.db2.gz SFLHJZPWGDXWDY-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccccc2)cc1 ZINC000016788724 556641969 /nfs/dbraw/zinc/64/19/69/556641969.db2.gz IOAFTHJMDSNVJA-UHFFFAOYSA-N 0 0 448.523 5.121 40 0 IKABRN COc1ccccc1C(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(C)cc1 ZINC000016789211 556642219 /nfs/dbraw/zinc/64/22/19/556642219.db2.gz BZHVCPXRCRUFMU-UHFFFAOYSA-N 0 0 449.963 5.880 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C)nnc2-c2ccccn2)cc1 ZINC000016789493 556642446 /nfs/dbraw/zinc/64/24/46/556642446.db2.gz CMBLYGHVEXHLED-UHFFFAOYSA-N 0 0 449.967 5.330 40 0 IKABRN CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 ZINC000016789468 556642456 /nfs/dbraw/zinc/64/24/56/556642456.db2.gz JBAJGFPCNCSQNU-SFHVURJKSA-N 0 0 443.576 5.574 40 0 IKABRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1Cl ZINC000016789442 556642484 /nfs/dbraw/zinc/64/24/84/556642484.db2.gz MTKGLITUYXYGSF-UHFFFAOYSA-N 0 0 441.343 5.611 40 0 IKABRN Cc1cc(C)cc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)c1 ZINC000016805108 556643388 /nfs/dbraw/zinc/64/33/88/556643388.db2.gz PRAYPTKKIYTKSP-UHFFFAOYSA-N 0 0 439.993 6.359 40 0 IKABRN Cc1c(Cl)cccc1-c1ccc(/C=C2\SC(=N)N(c3ccc4c(c3)OCO4)C2=O)o1 ZINC000408979202 556644017 /nfs/dbraw/zinc/64/40/17/556644017.db2.gz PYNDOQOFLUATPG-LARPDJSXSA-N 0 0 438.892 5.693 40 0 IKABRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cccc(-c3ccno3)c2)n1 ZINC000040556437 556644612 /nfs/dbraw/zinc/64/46/12/556644612.db2.gz QNZJHJZKHCZVPQ-UHFFFAOYSA-N 0 0 439.566 5.958 40 0 IKABRN Cc1nc(NC(=O)C[C@H]2CCCCO2)sc1-c1csc(Nc2ccccc2F)n1 ZINC000040556463 556644669 /nfs/dbraw/zinc/64/46/69/556644669.db2.gz RBNXMTOJIHRGBJ-CYBMUJFWSA-N 0 0 432.546 5.355 40 0 IKABRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000040556428 556644749 /nfs/dbraw/zinc/64/47/49/556644749.db2.gz UFTIGSOKIZLIFC-UHFFFAOYSA-N 0 0 441.409 6.610 40 0 IKABRN COc1cc(/C=C2/c3cc(Cl)ccc3-c3c2cc(Cl)cc3Cl)cc(OC)c1OC ZINC000016954087 556650072 /nfs/dbraw/zinc/65/00/72/556650072.db2.gz ZEFZMLJHXNCGGO-SOFYXZRVSA-N 0 0 447.745 7.242 40 0 IKABRN CCOc1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 ZINC000408979441 556652093 /nfs/dbraw/zinc/65/20/93/556652093.db2.gz QPDIQBZECQFCEU-UHFFFAOYSA-N 0 0 447.498 5.405 40 0 IKABRN Cc1ccc(NC(=O)OC/C=C/c2ccccc2)cc1NC(=O)OC/C=C\c1ccccc1 ZINC000017024688 556653272 /nfs/dbraw/zinc/65/32/72/556653272.db2.gz GXZKRNGRSMDMBL-YVKOIJOCSA-N 0 0 442.515 6.519 40 0 IKABRN Cc1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc1 ZINC000101076916 556653815 /nfs/dbraw/zinc/65/38/15/556653815.db2.gz CZUDJILWSYVQCR-VABKMULXSA-N 0 0 432.907 5.008 40 0 IKABRN FC(F)(F)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2c(-c3ccccc3)cnn21 ZINC000017086358 556657485 /nfs/dbraw/zinc/65/74/85/556657485.db2.gz PPWRQQYPLDMEGA-UHFFFAOYSA-N 0 0 445.444 6.661 40 0 IKABRN COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(OCc3ccccc3C)cc2)C(=O)O1 ZINC000017086195 556657522 /nfs/dbraw/zinc/65/75/22/556657522.db2.gz WYQDBBDIGFFJPE-LPYMAVHISA-N 0 0 433.891 5.581 40 0 IKABRN CC1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000017095622 556659031 /nfs/dbraw/zinc/65/90/31/556659031.db2.gz ADQODGLREZFRAF-UHFFFAOYSA-N 0 0 427.759 5.901 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4C)cc3n2)cc1 ZINC000017095982 556659585 /nfs/dbraw/zinc/65/95/85/556659585.db2.gz WLNOXEWFESPPFR-UHFFFAOYSA-N 0 0 428.536 5.397 40 0 IKABRN Cc1onc(C(=O)Nc2cccc(C(F)(F)F)c2)c1COc1cccc(C(F)(F)F)c1 ZINC000013640944 556659643 /nfs/dbraw/zinc/65/96/43/556659643.db2.gz PNXWLRSYTQZKTN-UHFFFAOYSA-N 0 0 444.331 5.852 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4c(OC)cccc4OC)cc3)nc2c1 ZINC000017096940 556660623 /nfs/dbraw/zinc/66/06/23/556660623.db2.gz HYRHYOKENOXOPZ-INIZCTEOSA-N 0 0 430.504 6.278 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1C ZINC000017097551 556661996 /nfs/dbraw/zinc/66/19/96/556661996.db2.gz BEHHXBBNCOTWFS-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 ZINC000017098272 556663019 /nfs/dbraw/zinc/66/30/19/556663019.db2.gz CHMAAQOIUCNJCS-UHFFFAOYSA-N 0 0 432.955 5.906 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c(C)c1 ZINC000017099603 556664737 /nfs/dbraw/zinc/66/47/37/556664737.db2.gz CNLISRHJZYGUME-UHFFFAOYSA-N 0 0 435.515 5.439 40 0 IKABRN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000017100469 556665462 /nfs/dbraw/zinc/66/54/62/556665462.db2.gz NBOHUMVDMAYLNP-UHFFFAOYSA-N 0 0 436.536 6.795 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1Cl ZINC000044839900 556668342 /nfs/dbraw/zinc/66/83/42/556668342.db2.gz KLWFWCAJBNVDOU-UHFFFAOYSA-N 0 0 432.756 5.695 40 0 IKABRN CCOC(=O)c1cc(NC(=O)CSCc2c(Cl)cccc2Cl)ccc1Cl ZINC000044839908 556668351 /nfs/dbraw/zinc/66/83/51/556668351.db2.gz JIZKSQDKLRTXOT-UHFFFAOYSA-N 0 0 432.756 5.695 40 0 IKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000044843037 556668840 /nfs/dbraw/zinc/66/88/40/556668840.db2.gz SRFWWNQJZSBBTG-GBXCKJPGSA-N 0 0 430.548 5.591 40 0 IKABRN Cc1ccccc1CSCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000044847758 556669911 /nfs/dbraw/zinc/66/99/11/556669911.db2.gz PKQWAXIOXKCIGF-UHFFFAOYSA-N 0 0 446.616 6.417 40 0 IKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000044848711 556670153 /nfs/dbraw/zinc/67/01/53/556670153.db2.gz KORTVHSEVNVCLT-QGZVFWFLSA-N 0 0 425.981 6.522 40 0 IKABRN Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044852573 556670645 /nfs/dbraw/zinc/67/06/45/556670645.db2.gz RCUKBULYLVQKDD-KRWDZBQOSA-N 0 0 435.395 5.098 40 0 IKABRN Cc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044852885 556671046 /nfs/dbraw/zinc/67/10/46/556671046.db2.gz GCPYLSBXLKFUIP-KRWDZBQOSA-N 0 0 435.395 5.098 40 0 IKABRN Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044852883 556671071 /nfs/dbraw/zinc/67/10/71/556671071.db2.gz GCPYLSBXLKFUIP-QGZVFWFLSA-N 0 0 435.395 5.098 40 0 IKABRN Cc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044852877 556671079 /nfs/dbraw/zinc/67/10/79/556671079.db2.gz ACYRJLSYCCFQJS-KRWDZBQOSA-N 0 0 435.395 5.098 40 0 IKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000044854574 556671261 /nfs/dbraw/zinc/67/12/61/556671261.db2.gz PWWHHCKZKRKINC-UHFFFAOYSA-N 0 0 447.922 5.946 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856520 556672187 /nfs/dbraw/zinc/67/21/87/556672187.db2.gz RVZGHQNNFZYGHR-HSZRJFAPSA-N 0 0 433.423 6.090 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856515 556672276 /nfs/dbraw/zinc/67/22/76/556672276.db2.gz NUUOEDHJRNWRCX-QHCPKHFHSA-N 0 0 433.423 6.090 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856519 556672282 /nfs/dbraw/zinc/67/22/82/556672282.db2.gz RVZGHQNNFZYGHR-QHCPKHFHSA-N 0 0 433.423 6.090 40 0 IKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000044880179 556673857 /nfs/dbraw/zinc/67/38/57/556673857.db2.gz JEHGCQYTNSGPSI-UHFFFAOYSA-N 0 0 427.548 5.030 40 0 IKABRN COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCCC[C@@H]4[C@@H]3C2=O)cc1 ZINC000017248553 556674260 /nfs/dbraw/zinc/67/42/60/556674260.db2.gz VCDXHZUBOZUMDL-OTLGMJNYSA-N 0 0 442.559 5.907 40 0 IKABRN CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044882616 556674389 /nfs/dbraw/zinc/67/43/89/556674389.db2.gz MBKHSINGXGHLKD-UHFFFAOYSA-N 0 0 435.395 5.309 40 0 IKABRN CCN(CC)c1ccc(N[C@@H](C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000017289284 556674492 /nfs/dbraw/zinc/67/44/92/556674492.db2.gz VJAFYJHWGYLCMM-HSZRJFAPSA-N 0 0 427.375 6.876 40 0 IKABRN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(OCCSc2ccccc2)cc1 ZINC000044883735 556674701 /nfs/dbraw/zinc/67/47/01/556674701.db2.gz SPDJGVIPNJWIAI-UHFFFAOYSA-N 0 0 432.372 6.095 40 0 IKABRN CCCCOCCOC(=O)C[C@H](/C=C(\C)CC(C)(C)C)C(=O)OCCOCCCC ZINC000017302474 556675065 /nfs/dbraw/zinc/67/50/65/556675065.db2.gz FBEWUFDEEMXRNN-NUTRWHQKSA-N 0 0 428.610 5.095 40 0 IKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000044885485 556675238 /nfs/dbraw/zinc/67/52/38/556675238.db2.gz UIDQFUYKNFIVCD-IBGZPJMESA-N 0 0 428.381 5.209 40 0 IKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000044885487 556675242 /nfs/dbraw/zinc/67/52/42/556675242.db2.gz UIDQFUYKNFIVCD-LJQANCHMSA-N 0 0 428.381 5.209 40 0 IKABRN O=C(Nc1cccc2ccccc21)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044899941 556676618 /nfs/dbraw/zinc/67/66/18/556676618.db2.gz LDJYNDUUOSBDGU-UHFFFAOYSA-N 0 0 436.920 5.546 40 0 IKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000044900102 556677020 /nfs/dbraw/zinc/67/70/20/556677020.db2.gz NRHSNUUBOHDALP-UHFFFAOYSA-N 0 0 445.994 5.174 40 0 IKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000044900272 556677109 /nfs/dbraw/zinc/67/71/09/556677109.db2.gz DZKFKMKQTGNQDO-IBGZPJMESA-N 0 0 426.409 5.817 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC000044901015 556677629 /nfs/dbraw/zinc/67/76/29/556677629.db2.gz BBLLVJDOSUPZHV-UHFFFAOYSA-N 0 0 449.359 5.033 40 0 IKABRN Cc1ccc(S[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044903202 556678658 /nfs/dbraw/zinc/67/86/58/556678658.db2.gz GIYYUACWPLWXIS-LJQANCHMSA-N 0 0 431.601 6.643 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000044903124 556678699 /nfs/dbraw/zinc/67/86/99/556678699.db2.gz OMPXZHHYSDZJFW-UHFFFAOYSA-N 0 0 430.573 5.662 40 0 IKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000044904459 556679577 /nfs/dbraw/zinc/67/95/77/556679577.db2.gz OKKKFYJKKXWRQT-INIZCTEOSA-N 0 0 426.409 5.736 40 0 IKABRN COc1cc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c(OC)cc1Cl ZINC000044904544 556679586 /nfs/dbraw/zinc/67/95/86/556679586.db2.gz XUBNHEXULIHZJE-UHFFFAOYSA-N 0 0 443.952 5.781 40 0 IKABRN Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000044905848 556679816 /nfs/dbraw/zinc/67/98/16/556679816.db2.gz PRDRFCYUKVZESM-SFHVURJKSA-N 0 0 429.402 5.155 40 0 IKABRN O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000044906385 556680063 /nfs/dbraw/zinc/68/00/63/556680063.db2.gz IQSRELWJTARSQJ-UHFFFAOYSA-N 0 0 439.814 5.608 40 0 IKABRN O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000044917229 556681626 /nfs/dbraw/zinc/68/16/26/556681626.db2.gz JPBQZCHFJQLYEF-UHFFFAOYSA-N 0 0 430.951 5.651 40 0 IKABRN CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000044916182 556681655 /nfs/dbraw/zinc/68/16/55/556681655.db2.gz FDSITPOUCIBXOK-UHFFFAOYSA-N 0 0 446.994 5.227 40 0 IKABRN CC1(C)C[C@@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c2ccccc2O1 ZINC000044918387 556681888 /nfs/dbraw/zinc/68/18/88/556681888.db2.gz FVWKAQJTYHSRNA-OAQYLSRUSA-N 0 0 447.406 5.624 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)cc1 ZINC000044936321 556682603 /nfs/dbraw/zinc/68/26/03/556682603.db2.gz FHKFVPZKNLDARY-QFIPXVFZSA-N 0 0 435.395 5.482 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000044937314 556682937 /nfs/dbraw/zinc/68/29/37/556682937.db2.gz NDMNYVOHCLUVSW-DEOSSOPVSA-N 0 0 446.994 5.603 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCSCc3ccccc3)c2)cc1 ZINC000044948304 556683897 /nfs/dbraw/zinc/68/38/97/556683897.db2.gz NEIWODPLCKBAEA-UHFFFAOYSA-N 0 0 431.601 6.477 40 0 IKABRN Cc1ccc([C@H](NC(=O)c2ccc(I)cc2)c2ccccc2)cc1 ZINC000044948612 556684060 /nfs/dbraw/zinc/68/40/60/556684060.db2.gz IIJGSBXGYASTSD-HXUWFJFHSA-N 0 0 427.285 5.119 40 0 IKABRN Brc1ccc(-c2nc3c(cc(Br)cc3Br)[nH]2)cc1 ZINC000226343072 556684439 /nfs/dbraw/zinc/68/44/39/556684439.db2.gz GTCRAGZXDDSRTN-UHFFFAOYSA-N 0 0 430.925 5.517 40 0 IKABRN Clc1cc(Br)cc2[nH]c(-c3cccc(I)c3)nc21 ZINC000226343030 556684572 /nfs/dbraw/zinc/68/45/72/556684572.db2.gz CZTLOCSLSQVUMJ-UHFFFAOYSA-N 0 0 433.474 5.250 40 0 IKABRN NC(=O)CCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000226342298 556684829 /nfs/dbraw/zinc/68/48/29/556684829.db2.gz NYPVOWDTTBETHK-UHFFFAOYSA-N 0 0 437.548 5.406 40 0 IKABRN Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2F)o1 ZINC000226769314 556685350 /nfs/dbraw/zinc/68/53/50/556685350.db2.gz TUXLCSOSMPHFDF-UHFFFAOYSA-N 0 0 428.257 5.292 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N)cc3Br)o2)cc1Cl ZINC000227148310 556685679 /nfs/dbraw/zinc/68/56/79/556685679.db2.gz PEQADBHXHDQPTA-RMKNXTFCSA-N 0 0 431.717 5.905 40 0 IKABRN CCCCCCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000408760959 556687502 /nfs/dbraw/zinc/68/75/02/556687502.db2.gz BEPDQSMRPZSSJJ-ZHZULCJRSA-N 0 0 428.326 5.753 40 0 IKABRN C[C@@H](OC(=O)Nc1ccc(Cl)cc1)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000019014975 556692021 /nfs/dbraw/zinc/69/20/21/556692021.db2.gz RGLPJASNTHMEBQ-CQSZACIVSA-N 0 0 444.318 6.947 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1cccs1 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448.522 5.508 40 0 IKABRN CCCCOc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCCC4)c2ccccc12 ZINC000408992088 556708648 /nfs/dbraw/zinc/70/86/48/556708648.db2.gz RZMHJZWFESAFQL-UHFFFAOYSA-N 0 0 432.589 7.055 40 0 IKABRN Cc1ccc(C2=CSC3=NC(C)=C(C(=O)Nc4ccccc4)[C@H](c4ccccc4)N23)cc1 ZINC000408992848 556709252 /nfs/dbraw/zinc/70/92/52/556709252.db2.gz USFLZPSSMAGRDY-VWLOTQADSA-N 0 0 437.568 6.366 40 0 IKABRN Cc1ccc(C2=CSC3=NC(C)=C(C(=O)Nc4ccccc4)[C@@H](c4ccccc4)N23)cc1 ZINC000408992847 556709258 /nfs/dbraw/zinc/70/92/58/556709258.db2.gz USFLZPSSMAGRDY-RUZDIDTESA-N 0 0 437.568 6.366 40 0 IKABRN CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000072320859 556709814 /nfs/dbraw/zinc/70/98/14/556709814.db2.gz YOVUTAVETDKIAA-ONTIZHBOSA-N 0 0 425.592 5.796 40 0 biogenic,in-vitro IKABRN CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3cc(OC)ccc3[nH]2)C[C@H]1C(C)C ZINC000072320948 556709846 /nfs/dbraw/zinc/70/98/46/556709846.db2.gz GJQNVMUORWQKQE-ONTIZHBOSA-N 0 0 425.617 5.521 40 0 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40 0 IKABRN Cc1ccc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000001380132 556796368 /nfs/dbraw/zinc/79/63/68/556796368.db2.gz SNWOQFFAHQZKTN-XMMPIXPASA-N 0 0 434.511 5.482 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000409100793 556796682 /nfs/dbraw/zinc/79/66/82/556796682.db2.gz WTFCIGIVOHHJNI-UHFFFAOYSA-N 0 0 449.967 5.276 40 0 IKABRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000409100435 556796732 /nfs/dbraw/zinc/79/67/32/556796732.db2.gz VZNVCKWSACVCTR-CALCHBBNSA-N 0 0 441.000 5.469 40 0 IKABRN Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)c(C)c2)c1 ZINC000409100603 556796736 /nfs/dbraw/zinc/79/67/36/556796736.db2.gz QODIIYGKEQSIOG-UHFFFAOYSA-N 0 0 442.588 5.514 40 0 IKABRN O=C(CSc1nc2ccccc2n1Cc1c(F)cccc1Cl)Nc1nccs1 ZINC000001381412 556796951 /nfs/dbraw/zinc/79/69/51/556796951.db2.gz JJUIMGBTMHBKPF-UHFFFAOYSA-N 0 0 432.933 5.064 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccc(F)cc1 ZINC000001382720 556797196 /nfs/dbraw/zinc/79/71/96/556797196.db2.gz XVKLQZWADYRMOM-QFIPXVFZSA-N 0 0 440.902 5.519 40 0 IKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000409104511 556797854 /nfs/dbraw/zinc/79/78/54/556797854.db2.gz FNOJJMZHIGXPON-NVMNQCDNSA-N 0 0 447.815 6.570 40 0 IKABRN Fc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1 ZINC000409104639 556797856 /nfs/dbraw/zinc/79/78/56/556797856.db2.gz GJJRVNYDSHTNBZ-UHFFFAOYSA-N 0 0 430.335 6.673 40 0 IKABRN Cc1cccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)c1 ZINC000409104890 556798078 /nfs/dbraw/zinc/79/80/78/556798078.db2.gz KSKNDWDBVQWJHS-UHFFFAOYSA-N 0 0 426.372 6.842 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccncc2)cc1 ZINC000409107742 556798528 /nfs/dbraw/zinc/79/85/28/556798528.db2.gz UFTHONWCMGCVAX-UHFFFAOYSA-N 0 0 443.576 5.239 40 0 IKABRN Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000002073965 556798818 /nfs/dbraw/zinc/79/88/18/556798818.db2.gz JSUJBXWAGQSSHP-LJQANCHMSA-N 0 0 428.561 5.670 40 0 IKABRN Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)c1 ZINC000409106935 556799235 /nfs/dbraw/zinc/79/92/35/556799235.db2.gz QBBIACRYHWDWOU-UHFFFAOYSA-N 0 0 446.551 5.345 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1C ZINC000409106798 556799264 /nfs/dbraw/zinc/79/92/64/556799264.db2.gz PEFAARFUOKYGTN-UHFFFAOYSA-N 0 0 442.588 5.899 40 0 IKABRN CCOc1c(Br)cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1OC ZINC000409109918 556800172 /nfs/dbraw/zinc/80/01/72/556800172.db2.gz NXNWMXQQGRBWBV-YVLHZVERSA-N 0 0 430.342 5.400 40 0 IKABRN CCOc1cc(CNc2ccccc2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409110294 556800407 /nfs/dbraw/zinc/80/04/07/556800407.db2.gz BDFDMNAWXSHKHA-UHFFFAOYSA-N 0 0 444.344 6.486 40 0 IKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)c1 ZINC000409110612 556800638 /nfs/dbraw/zinc/80/06/38/556800638.db2.gz FKFANGJJDUYIPP-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409110519 556800699 /nfs/dbraw/zinc/80/06/99/556800699.db2.gz DIHRHFNFFPDXAW-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN COc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409111534 556801195 /nfs/dbraw/zinc/80/11/95/556801195.db2.gz COSSJKPSNMTXTF-UHFFFAOYSA-N 0 0 444.344 6.405 40 0 IKABRN COc1ccc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cc1O ZINC000019559734 556801576 /nfs/dbraw/zinc/80/15/76/556801576.db2.gz BPWSJGYTLHQKOX-HXUWFJFHSA-N 0 0 438.524 5.190 40 0 IKABRN CCOc1cc(CNc2ccccc2CC)ccc1OCc1ccc(Br)cc1 ZINC000409111258 556801796 /nfs/dbraw/zinc/80/17/96/556801796.db2.gz BSXFXJDHPXJBJS-UHFFFAOYSA-N 0 0 440.381 6.601 40 0 IKABRN Cc1ccc(C)c(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)c1 ZINC000409112024 556802087 /nfs/dbraw/zinc/80/20/87/556802087.db2.gz ALLZCMJRGPMJEC-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN COc1cc(CNc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1 ZINC000409111632 556802270 /nfs/dbraw/zinc/80/22/70/556802270.db2.gz DGBXYWAQDMZZKC-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1Cl ZINC000409111712 556802370 /nfs/dbraw/zinc/80/23/70/556802370.db2.gz CCRAFMKUGSVGBT-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccc(O)c(OC)c3)no2)cc1OC ZINC000019561508 556802802 /nfs/dbraw/zinc/80/28/02/556802802.db2.gz JLRZKFNKGWEFAF-HXUWFJFHSA-N 0 0 438.524 5.190 40 0 IKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1Cl ZINC000409112823 556803041 /nfs/dbraw/zinc/80/30/41/556803041.db2.gz DFUGJDMOLNNNNG-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN COc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409112825 556803128 /nfs/dbraw/zinc/80/31/28/556803128.db2.gz DGZZHIQOHDOTKR-UHFFFAOYSA-N 0 0 440.381 6.574 40 0 IKABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000409112227 556803305 /nfs/dbraw/zinc/80/33/05/556803305.db2.gz BISVGMZNOIUMKW-JCMHNJIXSA-N 0 0 433.935 6.225 40 0 IKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409112971 556803404 /nfs/dbraw/zinc/80/34/04/556803404.db2.gz MVFNXUFSZKXVAI-UHFFFAOYSA-N 0 0 430.375 7.200 40 0 IKABRN CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000409112873 556803411 /nfs/dbraw/zinc/80/34/11/556803411.db2.gz MCSAXNZJFBQNFT-UHFFFAOYSA-N 0 0 430.375 7.146 40 0 IKABRN O=C(Nc1ccccc1)P(C(=O)Nc1ccccc1)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000003163537 556803767 /nfs/dbraw/zinc/80/37/67/556803767.db2.gz LWUSLFBPBKMCBQ-ISVJADKWSA-N 0 0 440.911 7.263 40 0 IKABRN CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)c2ccccc21 ZINC000409113741 556803938 /nfs/dbraw/zinc/80/39/38/556803938.db2.gz FEESCACELCOEKK-NDENLUEZSA-N 0 0 437.898 5.974 40 0 IKABRN CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1cccc(F)c1 ZINC000409114233 556804389 /nfs/dbraw/zinc/80/43/89/556804389.db2.gz DUZYTBNRRAVFNK-UHFFFAOYSA-N 0 0 430.317 6.178 40 0 IKABRN Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409114279 556804464 /nfs/dbraw/zinc/80/44/64/556804464.db2.gz IRRHIZYOEXRYCC-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN CCOc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409114633 556805262 /nfs/dbraw/zinc/80/52/62/556805262.db2.gz KPZGXQXBTGILIC-UHFFFAOYSA-N 0 0 440.381 6.656 40 0 IKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)c2ccccc21 ZINC000409114865 556805546 /nfs/dbraw/zinc/80/55/46/556805546.db2.gz JSFKHKREDNOTMW-STZFKDTASA-N 0 0 448.360 6.244 40 0 IKABRN CCOc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000409114901 556805840 /nfs/dbraw/zinc/80/58/40/556805840.db2.gz RBGWZMWOLVHEAP-UHFFFAOYSA-N 0 0 430.317 6.178 40 0 IKABRN CCCN1c2ccccc2/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O ZINC000409115830 556807064 /nfs/dbraw/zinc/80/70/64/556807064.db2.gz HQJTUFZUUDIORS-ULJHMMPZSA-N 0 0 427.544 6.270 40 0 IKABRN Cc1ccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc32)cc1C ZINC000409115505 556807082 /nfs/dbraw/zinc/80/70/82/556807082.db2.gz MRLQLZXXTFYGSR-UHFFFAOYSA-N 0 0 446.388 7.410 40 0 IKABRN Cc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1Cl ZINC000409115345 556807100 /nfs/dbraw/zinc/80/71/00/556807100.db2.gz IUAMEZMMMONWKX-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409115743 556807331 /nfs/dbraw/zinc/80/73/31/556807331.db2.gz GZFLLQANSYPBON-JCMHNJIXSA-N 0 0 433.935 6.225 40 0 IKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409116852 556808594 /nfs/dbraw/zinc/80/85/94/556808594.db2.gz NCNQGGNWNPEBGE-UHFFFAOYSA-N 0 0 430.375 7.200 40 0 IKABRN CCCc1sc2nc(SCC(=O)OCC)n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC000409116944 556808738 /nfs/dbraw/zinc/80/87/38/556808738.db2.gz MSCMWWCCHUUBFW-UHFFFAOYSA-N 0 0 436.986 5.017 40 0 IKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 ZINC000409116849 556808859 /nfs/dbraw/zinc/80/88/59/556808859.db2.gz NBMLSAQHQUVJGI-UHFFFAOYSA-N 0 0 446.374 6.982 40 0 IKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc32)c(C)c1 ZINC000409117109 556809521 /nfs/dbraw/zinc/80/95/21/556809521.db2.gz NKXWPIOHXYRBPM-UHFFFAOYSA-N 0 0 446.388 7.410 40 0 IKABRN CCc1cccc(C)c1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409118218 556811802 /nfs/dbraw/zinc/81/18/02/556811802.db2.gz PFKXAJRBWUILHW-UHFFFAOYSA-N 0 0 436.577 5.008 40 0 IKABRN COc1cc(CNc2ccccc2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409118389 556811964 /nfs/dbraw/zinc/81/19/64/556811964.db2.gz PVPHUZSWHAMZHO-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1Cl ZINC000409118482 556811997 /nfs/dbraw/zinc/81/19/97/556811997.db2.gz NLWRFXGNVIDYMX-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)C2)cs1 ZINC000019571739 556812031 /nfs/dbraw/zinc/81/20/31/556812031.db2.gz SDDXBWHFCVIMCD-BHYGNILZSA-N 0 0 436.572 5.093 40 0 IKABRN CCCOc1c(Br)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409118680 556812039 /nfs/dbraw/zinc/81/20/39/556812039.db2.gz PKZZNQLMHVTQCU-UHFFFAOYSA-N 0 0 442.353 6.651 40 0 IKABRN COc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccccc1 ZINC000409118438 556812070 /nfs/dbraw/zinc/81/20/70/556812070.db2.gz ZUEAFJGJIOLLNA-UHFFFAOYSA-N 0 0 426.354 6.266 40 0 IKABRN Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)cs1 ZINC000019571791 556812090 /nfs/dbraw/zinc/81/20/90/556812090.db2.gz LFDPTGORKJINSW-JOCHJYFZSA-N 0 0 441.560 5.629 40 0 IKABRN CCc1ccccc1NCc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409119289 556812473 /nfs/dbraw/zinc/81/24/73/556812473.db2.gz SPKOZQXUMGVPQY-UHFFFAOYSA-N 0 0 430.773 6.856 40 0 IKABRN CCc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000409120483 556814115 /nfs/dbraw/zinc/81/41/15/556814115.db2.gz WFNWLYIVDCPPSJ-UHFFFAOYSA-N 0 0 430.773 6.856 40 0 IKABRN COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409120326 556814124 /nfs/dbraw/zinc/81/41/24/556814124.db2.gz VLIIIEWMYWSHJT-UHFFFAOYSA-N 0 0 445.968 5.654 40 0 IKABRN CCOC(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(C)c(C)c2)c1C ZINC000409120295 556814126 /nfs/dbraw/zinc/81/41/26/556814126.db2.gz YYQKCKYZNCIVEN-UHFFFAOYSA-N 0 0 436.533 5.355 40 0 IKABRN CCc1ccc(NCc2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000409120319 556814182 /nfs/dbraw/zinc/81/41/82/556814182.db2.gz TWCLFUHDUUNMMZ-UHFFFAOYSA-N 0 0 444.344 6.350 40 0 IKABRN CCCOc1c(I)cc(CNc2cccc(Cl)c2C)cc1OC ZINC000409120597 556814361 /nfs/dbraw/zinc/81/43/61/556814361.db2.gz RBUJETXZGRGRBK-UHFFFAOYSA-N 0 0 445.728 5.663 40 0 IKABRN CCOc1cc(CNc2ccccc2C)ccc1OCc1ccc(Br)cc1 ZINC000409120701 556814371 /nfs/dbraw/zinc/81/43/71/556814371.db2.gz VTAVCKZBGHWWCH-UHFFFAOYSA-N 0 0 426.354 6.347 40 0 IKABRN COc1ccc(CN(Cc2cccs2)Cc2cccnc2)cc1Cn1nc(C)cc1C ZINC000019574395 556814491 /nfs/dbraw/zinc/81/44/91/556814491.db2.gz FTAZAJFLGLIFGB-UHFFFAOYSA-N 0 0 432.593 5.216 40 0 IKABRN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000003429522 556815214 /nfs/dbraw/zinc/81/52/14/556815214.db2.gz UVWGKYLODFTVNF-VVWXKSFDSA-N 0 0 434.411 5.800 40 0 IKABRN Cc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)c(C)c1 ZINC000409121286 556815619 /nfs/dbraw/zinc/81/56/19/556815619.db2.gz YYEKLZWKIUGIGY-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1 ZINC000409122106 556815706 /nfs/dbraw/zinc/81/57/06/556815706.db2.gz ZDJSAKWCIUTHBG-UHFFFAOYSA-N 0 0 445.946 7.332 40 0 IKABRN Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409122198 556815959 /nfs/dbraw/zinc/81/59/59/556815959.db2.gz YOERTNMMDTTZCN-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN CCOc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1 ZINC000004124701 556819068 /nfs/dbraw/zinc/81/90/68/556819068.db2.gz XEOLMLKPADRVPN-UHFFFAOYSA-N 0 0 427.548 6.306 40 0 IKABRN Cc1cc(C)cc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c32)CCCC4)c1 ZINC000004218040 556821302 /nfs/dbraw/zinc/82/13/02/556821302.db2.gz SCFOKQDYXCYKJB-UHFFFAOYSA-N 0 0 425.623 6.041 40 0 IKABRN Cc1ccc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c32)CCCC4)c(C)c1 ZINC000004218042 556821361 /nfs/dbraw/zinc/82/13/61/556821361.db2.gz ZJYWINDIVDBRIL-UHFFFAOYSA-N 0 0 425.623 6.041 40 0 IKABRN CCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccoc1C ZINC000004388429 556821997 /nfs/dbraw/zinc/82/19/97/556821997.db2.gz DKBDPVMPOMSTLJ-UHFFFAOYSA-N 0 0 432.549 5.654 40 0 IKABRN CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1ccccc1 ZINC000004848519 556823930 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CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3OC)cc2c1 ZINC000008677445 556844186 /nfs/dbraw/zinc/84/41/86/556844186.db2.gz BZVXZSIPHGKYLJ-UHFFFAOYSA-N 0 0 441.531 5.333 40 0 aggregator IKABRN Cc1cccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000008686778 556845004 /nfs/dbraw/zinc/84/50/04/556845004.db2.gz VQFBOROBJWIWMI-UHFFFAOYSA-N 0 0 447.629 5.914 40 0 IKABRN Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1)CCCC2 ZINC000019690110 556845398 /nfs/dbraw/zinc/84/53/98/556845398.db2.gz ALKTYUXQCSUIHF-OAQYLSRUSA-N 0 0 448.542 5.106 40 0 IKABRN Cc1oc2c(c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1)CCCC2 ZINC000019690108 556845474 /nfs/dbraw/zinc/84/54/74/556845474.db2.gz ALKTYUXQCSUIHF-NRFANRHFSA-N 0 0 448.542 5.106 40 0 IKABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](OC)CC(=O)O3)[C@@H]21 ZINC000067665423 556846023 /nfs/dbraw/zinc/84/60/23/556846023.db2.gz OLSYISKGDWQZSZ-MXORVIHWSA-N 0 0 432.601 5.240 40 0 in-vitro IKABRN O=C(c1cn2cc(Cl)ccc2n1)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 ZINC000019690389 556846072 /nfs/dbraw/zinc/84/60/72/556846072.db2.gz IEAGGWCAHBJPNZ-UHFFFAOYSA-N 0 0 448.929 5.132 40 0 IKABRN O=C([C@@H]1CC12CCC2)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000019690399 556846403 /nfs/dbraw/zinc/84/64/03/556846403.db2.gz JPAKYXOJAPYBQP-NRFANRHFSA-N 0 0 428.498 5.587 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)cc1 ZINC000408768489 556846869 /nfs/dbraw/zinc/84/68/69/556846869.db2.gz GIWNJEGSUUVQRK-GSERBOKHSA-N 0 0 445.371 6.415 40 0 IKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000409133604 556846989 /nfs/dbraw/zinc/84/69/89/556846989.db2.gz MOZVIOKINHVARE-KRWDZBQOSA-N 0 0 438.980 5.432 40 0 IKABRN Cc1cc(Cc2ccccc2F)cc(C2CCN(C(=O)c3nc4cc(F)ccc4[nH]3)CC2)n1 ZINC000019691835 556847578 /nfs/dbraw/zinc/84/75/78/556847578.db2.gz UCDAVVWTEGCWCW-UHFFFAOYSA-N 0 0 446.501 5.155 40 0 IKABRN CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409134306 556847942 /nfs/dbraw/zinc/84/79/42/556847942.db2.gz OPRGQDDFKLHIKS-UHFFFAOYSA-N 0 0 447.962 7.092 40 0 IKABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 ZINC000019691967 556848039 /nfs/dbraw/zinc/84/80/39/556848039.db2.gz KXLQWCUHWYPMAS-VWLOTQADSA-N 0 0 438.575 5.152 40 0 IKABRN O=C(Nc1ccccc1)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 ZINC000409134183 556848067 /nfs/dbraw/zinc/84/80/67/556848067.db2.gz NZIFLVHRKNMVSI-UHFFFAOYSA-N 0 0 434.605 6.034 40 0 IKABRN O=C1S/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1CC1CCCCC1 ZINC000409133912 556848072 /nfs/dbraw/zinc/84/80/72/556848072.db2.gz NUMCPJXJJQHOCH-HYARGMPZSA-N 0 0 425.525 6.021 40 0 IKABRN CN1C(=O)S/C(=C/c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000408774699 556848416 /nfs/dbraw/zinc/84/84/16/556848416.db2.gz XRJHHKVCOMPTNJ-XDHOZWIPSA-N 0 0 428.966 5.753 40 0 IKABRN O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1CC1CCCCC1 ZINC000409135601 556848508 /nfs/dbraw/zinc/84/85/08/556848508.db2.gz PUJUQGORWTUQEA-HYARGMPZSA-N 0 0 425.525 6.021 40 0 IKABRN COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)C3CCCC3)c1)O[C@H]1CCCC[C@@H]21 ZINC000008816563 556848966 /nfs/dbraw/zinc/84/89/66/556848966.db2.gz GXAPBFIBEHYHFO-YZIHRLCOSA-N 0 0 435.564 5.978 40 0 IKABRN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@@H]2c1cccc(NC(=O)c2ccco2)c1 ZINC000008816559 556849053 /nfs/dbraw/zinc/84/90/53/556849053.db2.gz UOWXKHBODKGGSD-XHNVNVPESA-N 0 0 433.504 5.695 40 0 IKABRN Cc1cccc(N2N=C(c3ccco3)C[C@H]2c2cc3c(cc2Br)OCO3)c1 ZINC000068603692 556849047 /nfs/dbraw/zinc/84/90/47/556849047.db2.gz XOHDUJIKGRKFEK-SFHVURJKSA-N 0 0 425.282 5.435 40 0 IKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc32)cc1 ZINC000409136493 556849174 /nfs/dbraw/zinc/84/91/74/556849174.db2.gz UVWRHPNBTHOFAO-UHFFFAOYSA-N 0 0 432.361 7.102 40 0 IKABRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)c1nc(-c2ccc(F)cc2)cs1 ZINC000008829248 556849486 /nfs/dbraw/zinc/84/94/86/556849486.db2.gz NQMMJHNQSSVSGX-UHFFFAOYSA-N 0 0 426.904 5.373 40 0 aggregator IKABRN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000008892275 556851105 /nfs/dbraw/zinc/85/11/05/556851105.db2.gz HLYDHNXXNZTLMP-PKTZIBPZSA-N 0 0 447.325 5.798 40 0 IKABRN O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)Nc1cccc(Cl)c1 ZINC000008926555 556852434 /nfs/dbraw/zinc/85/24/34/556852434.db2.gz RTDQZKLBHVASPF-UHFFFAOYSA-N 0 0 440.355 6.334 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)c1cccc(F)c1 ZINC000008926542 556852514 /nfs/dbraw/zinc/85/25/14/556852514.db2.gz MAVCVXUSZKEBJA-UHFFFAOYSA-N 0 0 440.496 5.104 40 0 IKABRN O=C(CSc1nc(-c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(Cl)cc1 ZINC000008926558 556852528 /nfs/dbraw/zinc/85/25/28/556852528.db2.gz PTVFLALOMCPPAJ-UHFFFAOYSA-N 0 0 440.355 6.334 40 0 IKABRN O=C(Oc1cccc2cc(OC(=O)[C@H]3C[C@H]3c3ccccc3)ccc21)[C@@H]1C[C@@H]1c1ccccc1 ZINC000008935049 556852726 /nfs/dbraw/zinc/85/27/26/556852726.db2.gz VCVLKSXOJNCUEV-YYGZZXRFSA-N 0 0 448.518 6.258 40 0 IKABRN CCOC(=O)c1ccc(-c2ccc(/C=C3\S[C@H](Nc4ccc(CC)cc4)NC3=O)o2)cc1 ZINC000408783305 556855355 /nfs/dbraw/zinc/85/53/55/556855355.db2.gz MIMJKGUTDPAGDH-BQKWAYIGSA-N 0 0 448.544 5.285 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1 ZINC000408786489 556856426 /nfs/dbraw/zinc/85/64/26/556856426.db2.gz QZRFQDPPRNOUHY-SJJVXOANSA-N 0 0 446.572 5.436 40 0 IKABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 ZINC000408799842 556857738 /nfs/dbraw/zinc/85/77/38/556857738.db2.gz LVUPWRNFMRDQFR-UHFFFAOYSA-N 0 0 435.956 5.990 40 0 IKABRN COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccccc1Cl ZINC000409137492 556858260 /nfs/dbraw/zinc/85/82/60/556858260.db2.gz XSTNBYVEYRXICM-YVLHZVERSA-N 0 0 426.299 6.074 40 0 IKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1Nc1ccccc1 ZINC000408800534 556858375 /nfs/dbraw/zinc/85/83/75/556858375.db2.gz NRWPAGKEPUQMHM-IAQFMYDQSA-N 0 0 446.423 7.047 40 0 IKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1Nc1ccccc1 ZINC000408801701 556858523 /nfs/dbraw/zinc/85/85/23/556858523.db2.gz WYDCEKGRICSTCZ-WENSYSQISA-N 0 0 427.977 6.100 40 0 IKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000408801852 556858830 /nfs/dbraw/zinc/85/88/30/556858830.db2.gz VZBLFSNGTDYDDL-UHFFFAOYSA-N 0 0 444.305 5.611 40 0 IKABRN COc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)ccc1OCc1cccc(C)c1 ZINC000408807067 556859217 /nfs/dbraw/zinc/85/92/17/556859217.db2.gz KBMAJILUXKVOEC-UHFFFAOYSA-N 0 0 449.527 5.485 40 0 IKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCC(C)C)c(OC)c2)S1 ZINC000408802277 556859370 /nfs/dbraw/zinc/85/93/70/556859370.db2.gz XXZOMOMZECSQGB-UHFFFAOYSA-N 0 0 447.964 5.155 40 0 IKABRN CCCCOc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)cc1OC ZINC000408803522 556859901 /nfs/dbraw/zinc/85/99/01/556859901.db2.gz QAMRTWDAKGDYCZ-UHFFFAOYSA-N 0 0 447.964 5.299 40 0 IKABRN CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCCC2)CC1 ZINC000019700281 556859975 /nfs/dbraw/zinc/85/99/75/556859975.db2.gz KVSJFIQLUGWOMY-UHFFFAOYSA-N 0 0 438.637 5.281 40 0 IKABRN CCCOc1ccc2ccccc2c1/C=C1\SC(Nc2cc(Cl)ccc2C)NC1=O ZINC000408804837 556860418 /nfs/dbraw/zinc/86/04/18/556860418.db2.gz ZPSXQNRAPKAJFP-UHFFFAOYSA-N 0 0 437.972 6.353 40 0 IKABRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1ccccc1 ZINC000409137557 556861004 /nfs/dbraw/zinc/86/10/04/556861004.db2.gz VWAUMLPHWFUGMM-HZHRSRAPSA-N 0 0 437.561 5.891 40 0 IKABRN CC(=O)Oc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408813397 556861342 /nfs/dbraw/zinc/86/13/42/556861342.db2.gz NVLQKRVFQOLXEK-QHJSVCQMSA-N 0 0 435.569 5.666 40 0 IKABRN COC(=O)c1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408811358 556862380 /nfs/dbraw/zinc/86/23/80/556862380.db2.gz NNAQWTJHEAPSGC-FEQQAMHBSA-N 0 0 435.569 5.527 40 0 IKABRN COC(=O)c1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408811362 556862538 /nfs/dbraw/zinc/86/25/38/556862538.db2.gz NNAQWTJHEAPSGC-OPNIWQPMSA-N 0 0 435.569 5.527 40 0 IKABRN CN1C(=O)S/C(=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C1=O ZINC000408817276 556864278 /nfs/dbraw/zinc/86/42/78/556864278.db2.gz LCRHKNFLZNZYDV-HKOYGPOVSA-N 0 0 436.536 6.477 40 0 IKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1Nc1ccccc1 ZINC000408818584 556864599 /nfs/dbraw/zinc/86/45/99/556864599.db2.gz XHSCPYMUNALICH-SBTPHQKMSA-N 0 0 433.641 7.038 40 0 IKABRN Cc1c(/C=C2\SC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408818707 556864767 /nfs/dbraw/zinc/86/47/67/556864767.db2.gz OMQXIAOXFGYWEI-GRSHGNNSSA-N 0 0 431.344 5.971 40 0 IKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(OC)c1 ZINC000408814570 556865365 /nfs/dbraw/zinc/86/53/65/556865365.db2.gz VTUCCLWFGFUEOP-ARELOLJLSA-N 0 0 437.585 5.758 40 0 IKABRN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408822310 556865496 /nfs/dbraw/zinc/86/54/96/556865496.db2.gz LMKZRVXFJAWBDF-HAHDFKILSA-N 0 0 431.513 5.824 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(Br)cc1OC ZINC000408820605 556865955 /nfs/dbraw/zinc/86/59/55/556865955.db2.gz XFGVKSIKNRKURE-YVLHZVERSA-N 0 0 434.311 5.097 40 0 IKABRN COc1ccc(-c2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C)c(OC)c1 ZINC000408827927 556866481 /nfs/dbraw/zinc/86/64/81/556866481.db2.gz VKPBTSKRENXROD-UHFFFAOYSA-N 0 0 430.529 6.055 40 0 IKABRN Cc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(Cl)cc1Cl ZINC000408833567 556866935 /nfs/dbraw/zinc/86/69/35/556866935.db2.gz SZHLGZRCFWHMPA-UHFFFAOYSA-N 0 0 439.367 7.345 40 0 IKABRN O=C(Oc1ccccc1/C=C1/N=C(/C=C/c2ccccc2)OC1=O)c1ccc(Cl)cc1 ZINC000408840638 556867216 /nfs/dbraw/zinc/86/72/16/556867216.db2.gz CWOONWITMCSTTQ-YLGLTRLVSA-N 0 0 429.859 5.569 40 0 IKABRN O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)OC1=O ZINC000408840903 556867418 /nfs/dbraw/zinc/86/74/18/556867418.db2.gz DAQIKFURDKTNQL-YLGLTRLVSA-N 0 0 429.859 5.303 40 0 IKABRN CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(Br)cc2)cc1 ZINC000408847189 556869188 /nfs/dbraw/zinc/86/91/88/556869188.db2.gz ZYFXKFPQBCEPMD-RCCKNPSSSA-N 0 0 448.320 5.077 40 0 IKABRN O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1Cl ZINC000408847580 556869227 /nfs/dbraw/zinc/86/92/27/556869227.db2.gz SYRISPXQYBDLFP-WLRTZDKTSA-N 0 0 443.138 6.859 40 0 IKABRN O=C(Oc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)OC1=O)c1ccco1 ZINC000408848241 556869555 /nfs/dbraw/zinc/86/95/55/556869555.db2.gz UYDAZHYULGFIKK-NTCAYCPXSA-N 0 0 449.871 5.711 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408848420 556870177 /nfs/dbraw/zinc/87/01/77/556870177.db2.gz WEABBUFVBXNFHG-PXLXIMEGSA-N 0 0 441.483 5.266 40 0 IKABRN CC(C)CN1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O ZINC000409140085 556873538 /nfs/dbraw/zinc/87/35/38/556873538.db2.gz PVCZXBPPXHPAGF-FBHDLOMBSA-N 0 0 442.943 6.174 40 0 IKABRN Cc1cccc(Cn2cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c3ccccc32)c1 ZINC000409144253 556873822 /nfs/dbraw/zinc/87/38/22/556873822.db2.gz DZXFKLZXXJCTND-MFKUBSTISA-N 0 0 444.600 6.615 40 0 IKABRN CCN1C(=O)S/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409143042 556873880 /nfs/dbraw/zinc/87/38/80/556873880.db2.gz YRYHJHGQEKAGMJ-MOSHPQCFSA-N 0 0 426.925 5.430 40 0 IKABRN O=C(CSCc1cccc(Br)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000408869915 556873925 /nfs/dbraw/zinc/87/39/25/556873925.db2.gz SUYMNGWPBLBFIQ-UHFFFAOYSA-N 0 0 442.378 5.900 40 0 IKABRN O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1CC1CCCCC1 ZINC000409145291 556874326 /nfs/dbraw/zinc/87/43/26/556874326.db2.gz PYRLZXUUVCJDLE-HYARGMPZSA-N 0 0 441.980 6.536 40 0 IKABRN O=C1S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1CC1CCCCC1 ZINC000409148765 556875400 /nfs/dbraw/zinc/87/54/00/556875400.db2.gz RKWMMAVJQJFBKS-HYARGMPZSA-N 0 0 425.525 6.021 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Cl)cc1OC ZINC000408873034 556875614 /nfs/dbraw/zinc/87/56/14/556875614.db2.gz MCACIKPLLOLAIE-NVMNQCDNSA-N 0 0 438.332 5.637 40 0 IKABRN Cc1ccc(COc2ccc(C[C@@H]3SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 ZINC000409149327 556876239 /nfs/dbraw/zinc/87/62/39/556876239.db2.gz BOMSZTUTAIZJAH-QHCPKHFHSA-N 0 0 435.520 5.520 40 0 IKABRN Cc1ccc(COc2ccc(C[C@H]3SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 ZINC000409149326 556876267 /nfs/dbraw/zinc/87/62/67/556876267.db2.gz BOMSZTUTAIZJAH-HSZRJFAPSA-N 0 0 435.520 5.520 40 0 IKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)n2C)c1 ZINC000409151673 556876825 /nfs/dbraw/zinc/87/68/25/556876825.db2.gz IKJLSUQWGSHWMF-UHFFFAOYSA-N 0 0 438.597 5.174 40 0 IKABRN O=C(NCCSCc1ccccc1Cl)c1ccc(CSCc2ccccc2)cc1 ZINC000408878139 556877254 /nfs/dbraw/zinc/87/72/54/556877254.db2.gz WVORITOPNKOKAK-UHFFFAOYSA-N 0 0 442.049 6.437 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)cc1Cl ZINC000409151858 556877461 /nfs/dbraw/zinc/87/74/61/556877461.db2.gz IHOLQJWCTXFQLG-UHFFFAOYSA-N 0 0 444.988 5.210 40 0 IKABRN COc1cc2c(cc1C)-c1nc(Nc3ccc(I)cc3)sc1CC2 ZINC000408885639 556877949 /nfs/dbraw/zinc/87/79/49/556877949.db2.gz DFVMFQKUUIUVCU-UHFFFAOYSA-N 0 0 448.329 5.574 40 0 IKABRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O ZINC000409153901 556878827 /nfs/dbraw/zinc/87/88/27/556878827.db2.gz NYCGDZDLRFRNQQ-MOSHPQCFSA-N 0 0 432.501 5.238 40 0 IKABRN CC(C)(C)c1cc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc(C(C)(C)C)c1 ZINC000071260584 556879354 /nfs/dbraw/zinc/87/93/54/556879354.db2.gz KQBHTQJILZQDTO-UHFFFAOYSA-N 0 0 425.646 5.824 40 0 IKABRN Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000408905912 556884130 /nfs/dbraw/zinc/88/41/30/556884130.db2.gz AVBMTSYTJINPSL-UHFFFAOYSA-N 0 0 440.590 5.143 40 0 IKABRN O=C(NCCSCc1ccccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408907769 556885235 /nfs/dbraw/zinc/88/52/35/556885235.db2.gz RAXGXIZFWHKNDZ-LTGZKZEYSA-N 0 0 442.411 6.584 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000408902347 556885287 /nfs/dbraw/zinc/88/52/87/556885287.db2.gz NDCVXJYQAPPEIX-ITRAFESCSA-N 0 0 431.941 6.157 40 0 IKABRN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(Br)cc1OC(C)C ZINC000408902962 556885479 /nfs/dbraw/zinc/88/54/79/556885479.db2.gz SSTUQBKQWIOIKX-VCHYOVAHSA-N 0 0 448.338 5.486 40 0 IKABRN Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000408908774 556887039 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556905951 /nfs/dbraw/zinc/90/59/51/556905951.db2.gz DBFNZRKDDSXNPY-UHFFFAOYSA-N 0 0 446.624 6.121 40 0 IKABRN COc1cccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)c1 ZINC000408977404 556906899 /nfs/dbraw/zinc/90/68/99/556906899.db2.gz ISBBALPOIBEYSI-UHFFFAOYSA-N 0 0 433.471 5.015 40 0 IKABRN Cc1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1Br ZINC000408980735 556907779 /nfs/dbraw/zinc/90/77/79/556907779.db2.gz STRLKWPMPBBLCE-OAQYLSRUSA-N 0 0 437.337 5.257 40 0 IKABRN Cc1cc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1Br ZINC000408980734 556907830 /nfs/dbraw/zinc/90/78/30/556907830.db2.gz STRLKWPMPBBLCE-NRFANRHFSA-N 0 0 437.337 5.257 40 0 IKABRN CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408978503 556908450 /nfs/dbraw/zinc/90/84/50/556908450.db2.gz MOJLOPFKHVKXAU-UHFFFAOYSA-N 0 0 448.592 6.651 40 0 IKABRN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 ZINC000408985650 556909224 /nfs/dbraw/zinc/90/92/24/556909224.db2.gz OGFYJYFMRBROMI-HUUCEWRRSA-N 0 0 448.573 5.145 40 0 IKABRN CCCCCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1OC ZINC000408986107 556909263 /nfs/dbraw/zinc/90/92/63/556909263.db2.gz LQGDWPDZYPTATD-PDGQHHTCSA-N 0 0 444.325 5.371 40 0 IKABRN Cc1nc([C@@H]2CCCCN2Cc2ccccc2Cl)ncc1C(=O)Nc1ccccc1F ZINC000019764761 556909308 /nfs/dbraw/zinc/90/93/08/556909308.db2.gz UCJBMWHRNVLVKB-QFIPXVFZSA-N 0 0 438.934 5.557 40 0 IKABRN COc1c(C)cccc1CN1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2F)c(C)n1 ZINC000019764790 556909319 /nfs/dbraw/zinc/90/93/19/556909319.db2.gz ABRUFUVBXJCIPV-HSZRJFAPSA-N 0 0 448.542 5.221 40 0 IKABRN CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)N=C(SCc2ccccc2Cl)N1 ZINC000408987144 556909794 /nfs/dbraw/zinc/90/97/94/556909794.db2.gz DRGKMTGWUZXQKE-QGZVFWFLSA-N 0 0 440.783 5.340 40 0 IKABRN Cc1cccc(CC(=O)N2CC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C(C)(C)C)N4)C2)c1 ZINC000072337823 556910821 /nfs/dbraw/zinc/91/08/21/556910821.db2.gz NGXURAVDXYYDHZ-MISYRCLQSA-N 0 0 448.533 5.084 40 0 IKABRN 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CC(C)CC(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)CC1 ZINC000072345065 556916617 /nfs/dbraw/zinc/91/66/17/556916617.db2.gz XVUVVKAZHRWLQX-UHFFFAOYSA-N 0 0 426.626 5.137 40 0 IKABRN Cc1cccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(Cl)cc3Cl)o2)c1 ZINC000409007992 556916787 /nfs/dbraw/zinc/91/67/87/556916787.db2.gz UBCYTTBNHUNZBO-GFCCVEGCSA-N 0 0 438.336 5.556 40 0 IKABRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=O)O2)cc1 ZINC000409009075 556917405 /nfs/dbraw/zinc/91/74/05/556917405.db2.gz USBVCRNJSYMYIM-JCMHNJIXSA-N 0 0 447.874 5.302 40 0 IKABRN Cc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1Cl ZINC000409009111 556917426 /nfs/dbraw/zinc/91/74/26/556917426.db2.gz BLKRRTYPENSVHU-NDENLUEZSA-N 0 0 443.355 6.329 40 0 IKABRN O=C1NC(=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1c1ccccc1 ZINC000409009626 556917463 /nfs/dbraw/zinc/91/74/63/556917463.db2.gz HAHPWIWQKXFWID-YZSQISJMSA-N 0 0 443.506 5.940 40 0 IKABRN Cc1nc([C@H]2CCCCN2Cc2ccc3[nH]ccc3c2)ncc1C(=O)Nc1ccccc1 ZINC000072346278 556917722 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40 0 IKABRN O=C(c1ccncc1)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072349183 556919557 /nfs/dbraw/zinc/91/95/57/556919557.db2.gz QQTKMFTVIROENY-UHFFFAOYSA-N 0 0 425.454 5.106 40 0 IKABRN COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cc1 ZINC000072349360 556919558 /nfs/dbraw/zinc/91/95/58/556919558.db2.gz ASOGCPYYDYOGKU-QFIPXVFZSA-N 0 0 432.539 5.159 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1cccc(F)c1 ZINC000409017771 556919588 /nfs/dbraw/zinc/91/95/88/556919588.db2.gz VUNATUKUEHHFOA-PCXKXAPESA-N 0 0 429.513 5.638 40 0 IKABRN COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409017687 556919593 /nfs/dbraw/zinc/91/95/93/556919593.db2.gz VPOHNKBULKOIJZ-FYJGNVAPSA-N 0 0 448.906 5.333 40 0 IKABRN O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349479 556919715 /nfs/dbraw/zinc/91/97/15/556919715.db2.gz YBZDMDDGHHQCGN-GOSISDBHSA-N 0 0 425.454 5.111 40 0 IKABRN COc1cccc(Cc2cccc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)c1 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IKABRN COc1ccc(Cl)cc1C1=N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)O1 ZINC000409069108 556942765 /nfs/dbraw/zinc/94/27/65/556942765.db2.gz VBNDBTDEIDEQER-CIAFOILYSA-N 0 0 437.854 5.411 40 0 IKABRN Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 ZINC000072372647 556943328 /nfs/dbraw/zinc/94/33/28/556943328.db2.gz PZUAIFZWNKRODE-XMMPIXPASA-N 0 0 443.526 5.445 40 0 IKABRN Cc1cnc(Nc2cc(C)nc([C@@H]3CCCN3C(=O)c3ccc4nc(C)sc4c3)c2)s1 ZINC000072372626 556943429 /nfs/dbraw/zinc/94/34/29/556943429.db2.gz HWDMKZHAHJDSOT-FQEVSTJZSA-N 0 0 449.605 5.794 40 0 IKABRN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN3C(=O)c3cc4c(cccc4C)[nH]3)c2)n1 ZINC000072372628 556943451 /nfs/dbraw/zinc/94/34/51/556943451.db2.gz PIYPHMVSWLULPJ-XMMPIXPASA-N 0 0 440.551 5.307 40 0 IKABRN O=C1NC(=Cc2ccccc2OCc2ccccc2Cl)C(=O)N1c1cccc(Cl)c1 ZINC000409069964 556944514 /nfs/dbraw/zinc/94/45/14/556944514.db2.gz MLBZMOOHDILFSE-UDWIEESQSA-N 0 0 439.298 5.670 40 0 IKABRN Cc1nn(C[C@@H](C)c2cc(NCC3(c4ccc(C)cc4)CCOCC3)nc(C)n2)c(C)c1C 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556956269 /nfs/dbraw/zinc/95/62/69/556956269.db2.gz LDIVVEWKZSKZGG-OAQYLSRUSA-N 0 0 438.934 5.205 40 0 IKABRN COc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1 ZINC000409103180 556956585 /nfs/dbraw/zinc/95/65/85/556956585.db2.gz XHHXOZKULGRDIQ-UHFFFAOYSA-N 0 0 442.371 6.542 40 0 IKABRN COc1ccc(CCN2CN=C(c3ccccc3)N(c3ccc(C)cc3C)C2)cc1OC ZINC000019974145 556956719 /nfs/dbraw/zinc/95/67/19/556956719.db2.gz XQDCFCPTLPHPNP-UHFFFAOYSA-N 0 0 429.564 5.047 40 0 IKABRN COc1ccc(CCN2CN=C(c3ccccc3)N(c3ccc(C)c(C)c3)C2)cc1OC ZINC000019974122 556956794 /nfs/dbraw/zinc/95/67/94/556956794.db2.gz JEDMMPTZHKXBJR-UHFFFAOYSA-N 0 0 429.564 5.047 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(C)C)c2cccc(C)c2)cc1 ZINC000409109272 556956817 /nfs/dbraw/zinc/95/68/17/556956817.db2.gz ATXOPHQGPVGSND-UHFFFAOYSA-N 0 0 436.577 5.261 40 0 IKABRN O=C1N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1F ZINC000409111775 556957834 /nfs/dbraw/zinc/95/78/34/556957834.db2.gz CBMBAKUUKCNRQM-ZDLGFXPLSA-N 0 0 431.250 5.485 40 0 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ZINC000409116629 556959830 /nfs/dbraw/zinc/95/98/30/556959830.db2.gz KXOSZYSCXIZKFH-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1Cl ZINC000409117344 556960176 /nfs/dbraw/zinc/96/01/76/556960176.db2.gz QXWJIPJKMDUACS-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390523 556960882 /nfs/dbraw/zinc/96/08/82/556960882.db2.gz QBZIJSFVJIJUTN-INIZCTEOSA-N 0 0 443.528 5.442 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)cc1 ZINC000409119139 556960910 /nfs/dbraw/zinc/96/09/10/556960910.db2.gz RLJPCPDEAFJKOA-UHFFFAOYSA-N 0 0 432.524 5.367 40 0 IKABRN CCCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1Br ZINC000409119439 556960931 /nfs/dbraw/zinc/96/09/31/556960931.db2.gz PQDSZUXIWCELSC-UHFFFAOYSA-N 0 0 447.598 6.574 40 0 IKABRN CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000409120036 556961042 /nfs/dbraw/zinc/96/10/42/556961042.db2.gz SQIKSLLIPMNZBE-UHFFFAOYSA-N 0 0 432.347 6.592 40 0 IKABRN CCCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1C ZINC000409120155 556961081 /nfs/dbraw/zinc/96/10/81/556961081.db2.gz RZMPPOUWBZJTGJ-UHFFFAOYSA-N 0 0 427.180 6.229 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409119968 556961089 /nfs/dbraw/zinc/96/10/89/556961089.db2.gz RLGWEIJYJXJIJT-UHFFFAOYSA-N 0 0 434.338 7.031 40 0 IKABRN CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)c2ccc(N(C)C)cc2)n1 ZINC000072390736 556961236 /nfs/dbraw/zinc/96/12/36/556961236.db2.gz GVUMFDGNEPFZOF-JOCHJYFZSA-N 0 0 447.583 5.134 40 0 IKABRN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccc(COCC)cc2)n1 ZINC000072390661 556961270 /nfs/dbraw/zinc/96/12/70/556961270.db2.gz RPPLISJVVMDLNK-DEOSSOPVSA-N 0 0 444.579 5.395 40 0 IKABRN COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409120611 556961395 /nfs/dbraw/zinc/96/13/95/556961395.db2.gz UQSDZMNBKBAAQO-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409121465 556961564 /nfs/dbraw/zinc/96/15/64/556961564.db2.gz 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Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000409176491 556985929 /nfs/dbraw/zinc/98/59/29/556985929.db2.gz PCPKDYZLLUODPQ-UHFFFAOYSA-N 0 0 442.298 5.594 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1Cl ZINC000409176833 556986247 /nfs/dbraw/zinc/98/62/47/556986247.db2.gz YXYIDROONXYROL-RIYZIHGNSA-N 0 0 426.925 5.101 40 0 IKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409177554 556986380 /nfs/dbraw/zinc/98/63/80/556986380.db2.gz GXZKTZSGTGDFSK-UHFFFAOYSA-N 0 0 438.332 5.382 40 0 IKABRN Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1N1C(=O)c2ccccc2C1=O ZINC000409177524 556986434 /nfs/dbraw/zinc/98/64/34/556986434.db2.gz GOZHNTAJLJVROI-UHFFFAOYSA-N 0 0 447.490 5.742 40 0 IKABRN CCCCOC(=O)c1cc(NC(=O)CSc2cccc3ccccc32)ccc1Cl ZINC000409177759 556986569 /nfs/dbraw/zinc/98/65/69/556986569.db2.gz CSZBBYSARDEBKX-UHFFFAOYSA-N 0 0 427.953 6.181 40 0 IKABRN CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000409177695 556986579 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CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409173912 556988203 /nfs/dbraw/zinc/98/82/03/556988203.db2.gz PADYUOPNWOLTCR-UHFFFAOYSA-N 0 0 434.605 5.844 40 0 IKABRN CCc1ccc(-c2cc(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 ZINC000409173401 556988258 /nfs/dbraw/zinc/98/82/58/556988258.db2.gz MEJBJRNYCNDJRX-UHFFFAOYSA-N 0 0 443.546 7.411 40 0 IKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc(Br)ccc1Cl ZINC000020138492 556988976 /nfs/dbraw/zinc/98/89/76/556988976.db2.gz JALROLCBZMXEBV-UHFFFAOYSA-N 0 0 441.108 5.761 40 0 IKABRN COc1ccc(-c2cc(C(=O)OCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 ZINC000409180835 556989097 /nfs/dbraw/zinc/98/90/97/556989097.db2.gz WAMUACONBVYAHP-UHFFFAOYSA-N 0 0 438.310 6.574 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000409180495 556989121 /nfs/dbraw/zinc/98/91/21/556989121.db2.gz YOMIZTKNYLDVQM-WOJGMQOQSA-N 0 0 448.588 5.745 40 0 IKABRN CCCOc1c(I)cc(CNc2ccccc2Cl)cc1OCC ZINC000409180561 556989145 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Cc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1-c1ccc(CO)o1 ZINC000020140172 556989443 /nfs/dbraw/zinc/98/94/43/556989443.db2.gz GXJVUESVELFUNZ-UHFFFAOYSA-N 0 0 442.298 6.566 40 0 IKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020140421 556989651 /nfs/dbraw/zinc/98/96/51/556989651.db2.gz DMTXKZWPQXFSTE-UHFFFAOYSA-N 0 0 446.261 6.397 40 0 IKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)cc1Cl ZINC000409181546 556989667 /nfs/dbraw/zinc/98/96/67/556989667.db2.gz CXRSKUOMBKSNQZ-GRSHGNNSSA-N 0 0 444.940 5.111 40 0 IKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020140407 556989714 /nfs/dbraw/zinc/98/97/14/556989714.db2.gz ATBPPGNMLPZCQO-UHFFFAOYSA-N 0 0 446.261 6.397 40 0 IKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020140410 556989723 /nfs/dbraw/zinc/98/97/23/556989723.db2.gz GOCUWAZNCFKVDL-UHFFFAOYSA-N 0 0 441.842 5.752 40 0 IKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020140413 556989737 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Cc1cc(C)c(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c(Br)c1 ZINC000020144449 556990154 /nfs/dbraw/zinc/99/01/54/556990154.db2.gz ZNMMZTOQNRWNFB-UHFFFAOYSA-N 0 0 444.325 5.144 40 0 IKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020144551 556990187 /nfs/dbraw/zinc/99/01/87/556990187.db2.gz DWQQYNCSIOVTHP-UHFFFAOYSA-N 0 0 440.710 5.725 40 0 IKABRN COc1ccccc1[C@@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccc(C)cc1 ZINC000409183112 556990273 /nfs/dbraw/zinc/99/02/73/556990273.db2.gz PWTBVGWHUPSGGP-MUUNZHRXSA-N 0 0 434.539 6.369 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020144944 556990342 /nfs/dbraw/zinc/99/03/42/556990342.db2.gz NNPLXQRVVNMYCV-UHFFFAOYSA-N 0 0 439.939 6.158 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020144932 556990359 /nfs/dbraw/zinc/99/03/59/556990359.db2.gz FBFZXOQPFLTKMO-UHFFFAOYSA-N 0 0 439.939 6.158 40 0 IKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc(OCc2ccccc2)c1 ZINC000020144972 556990376 /nfs/dbraw/zinc/99/03/76/556990376.db2.gz OXPYSFNJSFSYRJ-UHFFFAOYSA-N 0 0 433.891 5.924 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(CO)o4)c(C)c3)o2)cc1Cl ZINC000020145505 556990721 /nfs/dbraw/zinc/99/07/21/556990721.db2.gz JONFXLXQDMAVAB-XYOKQWHBSA-N 0 0 447.918 6.621 40 0 IKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(C)c1 ZINC000020152303 556992000 /nfs/dbraw/zinc/99/20/00/556992000.db2.gz OFDJSLUOTOHNAM-UHFFFAOYSA-N 0 0 446.528 5.036 40 0 IKABRN Cc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(C)c1-c1ccc(Br)cc1 ZINC000409193557 556992945 /nfs/dbraw/zinc/99/29/45/556992945.db2.gz GNYBPUBTPRFESR-FLFQWRMESA-N 0 0 443.410 5.863 40 0 IKABRN Brc1ccc(Br)c(-c2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000409194211 556993183 /nfs/dbraw/zinc/99/31/83/556993183.db2.gz PCHVIWLKXNHPPQ-UHFFFAOYSA-N 0 0 435.140 6.748 40 0 IKABRN O=C1c2ccccc2C(=O)N1c1ccc(-c2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000409176091 556993542 /nfs/dbraw/zinc/99/35/42/556993542.db2.gz HEGFUUXIXMTXHL-UHFFFAOYSA-N 0 0 427.463 5.764 40 0 IKABRN Cc1ccc(-c2cc(C(=O)OCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1C ZINC000409176156 556993557 /nfs/dbraw/zinc/99/35/57/556993557.db2.gz IXDTTWZIRQRXCU-UHFFFAOYSA-N 0 0 436.338 7.182 40 0 IKABRN COc1cc(-c2nc3ccccc3s2)c(Br)cc1OCc1ccccc1 ZINC000409195654 556993966 /nfs/dbraw/zinc/99/39/66/556993966.db2.gz UTRFZLNKLFBJHK-UHFFFAOYSA-N 0 0 426.335 6.313 40 0 IKABRN Cc1sc(NC(=O)CCC(=O)c2ccc(C)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409196952 556994743 /nfs/dbraw/zinc/99/47/43/556994743.db2.gz TUBSZICWLIYBET-UHFFFAOYSA-N 0 0 433.360 6.335 40 0 IKABRN O=C(OC(c1ccccc1)c1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000409176759 556995012 /nfs/dbraw/zinc/99/50/12/556995012.db2.gz WYOLOBCHHXXWQP-UHFFFAOYSA-N 0 0 449.937 7.502 40 0 IKABRN Cc1cccc(-c2ccc(OC(=O)c3ccc(Cn4nnc5ccccc54)cc3)c(C)c2)c1 ZINC000409176474 556995046 /nfs/dbraw/zinc/99/50/46/556995046.db2.gz OJNSNCCMOLHYEP-UHFFFAOYSA-N 0 0 433.511 5.983 40 0 IKABRN Cc1sc(NC(=O)CCC(=O)c2ccc(C)cc2C)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409198231 556995258 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Clc1ccccc1COc1ccc(Br)cc1CNc1ccccc1Cl ZINC000409177737 556995910 /nfs/dbraw/zinc/99/59/10/556995910.db2.gz GTZXVMUEJPKRPK-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN O=C(OC(c1ccccc1)c1ccccc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000409177696 556995931 /nfs/dbraw/zinc/99/59/31/556995931.db2.gz GKHGXYBCZJMRFU-UHFFFAOYSA-N 0 0 433.463 5.434 40 0 IKABRN Cc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409206356 556996050 /nfs/dbraw/zinc/99/60/50/556996050.db2.gz VGJLJYYSSBVNIS-UHFFFAOYSA-N 0 0 447.387 6.644 40 0 IKABRN Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1C ZINC000409178026 556996517 /nfs/dbraw/zinc/99/65/17/556996517.db2.gz DIUONCKGSCAAEQ-AREMUKBSSA-N 0 0 449.934 5.843 40 0 IKABRN S=C(c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)N1CCCCC1 ZINC000409207717 556996742 /nfs/dbraw/zinc/99/67/42/556996742.db2.gz YDTCTKLMXDFWSL-UHFFFAOYSA-N 0 0 447.829 6.267 40 0 IKABRN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000409178427 556996773 /nfs/dbraw/zinc/99/67/73/556996773.db2.gz HVIDLBPPJFQVGT-UHFFFAOYSA-N 0 0 426.255 5.151 40 0 IKABRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000409178610 556997001 /nfs/dbraw/zinc/99/70/01/556997001.db2.gz LPKCCJODCAUMNZ-QHCPKHFHSA-N 0 0 437.879 5.088 40 0 IKABRN Cc1ccc(-c2ccc(OC(=O)c3ccc(Cn4nnc5ccccc54)cc3)c(C)c2)cc1 ZINC000409179322 556997043 /nfs/dbraw/zinc/99/70/43/556997043.db2.gz REDAVBKLKFLTSR-UHFFFAOYSA-N 0 0 433.511 5.983 40 0 IKABRN Cc1ccc(Cc2nnc(SCc3ccc(I)cc3)o2)cc1C ZINC000020196840 556997408 /nfs/dbraw/zinc/99/74/08/556997408.db2.gz ONTKQPYQHKCLGU-UHFFFAOYSA-N 0 0 436.318 5.174 40 0 IKABRN CCc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000409180025 556998810 /nfs/dbraw/zinc/99/88/10/556998810.db2.gz UQZBYOFVSBLBLR-LJAQVGFWSA-N 0 0 432.567 6.923 40 0 IKABRN CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409179480 556998938 /nfs/dbraw/zinc/99/89/38/556998938.db2.gz OZPOINDGDDGMEC-ODLFYWEKSA-N 0 0 444.940 5.112 40 0 IKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000409179592 556999077 /nfs/dbraw/zinc/99/90/77/556999077.db2.gz RRQVBYCLFMTQBO-SSEXGKCCSA-N 0 0 446.594 7.484 40 0 IKABRN Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1Cl ZINC000409201108 557000439 /nfs/dbraw/zinc/00/04/39/557000439.db2.gz NRJBGVLMMHINIA-UUYOSTAYSA-N 0 0 438.310 6.225 40 0 IKABRN O=C1S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000409202023 557001195 /nfs/dbraw/zinc/00/11/95/557001195.db2.gz NRBUEOVMOXAJAF-YDZHTSKRSA-N 0 0 444.943 6.584 40 0 IKABRN Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N(C(C)C)C(C)C)cc1 ZINC000409202831 557001893 /nfs/dbraw/zinc/00/18/93/557001893.db2.gz SXIUMIJMRODHKC-UHFFFAOYSA-N 0 0 436.625 5.098 40 0 IKABRN Cc1cccc(OCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccccc3)cc2)c1 ZINC000409182640 557002889 /nfs/dbraw/zinc/00/28/89/557002889.db2.gz MGDSCFLYLRGPGC-NDEPHWFRSA-N 0 0 436.507 6.355 40 0 IKABRN CCCOC(=O)c1cc(NC(=O)CSc2ccc(Br)cc2)ccc1Cl ZINC000409182738 557002901 /nfs/dbraw/zinc/00/29/01/557002901.db2.gz NJNYGDAAJMFVMQ-UHFFFAOYSA-N 0 0 442.762 5.400 40 0 IKABRN COc1ccccc1[C@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccc(C)cc1 ZINC000409183115 557002957 /nfs/dbraw/zinc/00/29/57/557002957.db2.gz PWTBVGWHUPSGGP-NDEPHWFRSA-N 0 0 434.539 6.369 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)cc1 ZINC000409183075 557003006 /nfs/dbraw/zinc/00/30/06/557003006.db2.gz RABJMLDALZYKNZ-HHHXNRCGSA-N 0 0 449.506 6.028 40 0 IKABRN Cc1cccc(C)c1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000409183028 557003107 /nfs/dbraw/zinc/00/31/07/557003107.db2.gz RNFXCCKIYRZCJY-SANMLTNESA-N 0 0 449.934 5.843 40 0 IKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1ccc(OCC)cc1 ZINC000409204483 557003138 /nfs/dbraw/zinc/00/31/38/557003138.db2.gz HYFJITWIGFCUHN-UHFFFAOYSA-N 0 0 440.540 5.902 40 0 IKABRN CCCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000409182889 557003198 /nfs/dbraw/zinc/00/31/98/557003198.db2.gz POZOWXYKRSSXDJ-SFHVURJKSA-N 0 0 436.927 5.383 40 0 IKABRN CCCCCN1C(=O)S/C(=C\c2cc(OC)c(OCC)cc2Br)C1=O ZINC000409211647 557006408 /nfs/dbraw/zinc/00/64/08/557006408.db2.gz NLKJFJBEYMXBPY-YBEGLDIGSA-N 0 0 428.348 5.083 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC ZINC000409212897 557007655 /nfs/dbraw/zinc/00/76/55/557007655.db2.gz SACKNDUKFXWPPC-XMHGGMMESA-N 0 0 431.941 5.416 40 0 IKABRN COc1cc(-c2nc3ccccc3s2)cc(Br)c1OCc1ccccc1 ZINC000409189395 557009528 /nfs/dbraw/zinc/00/95/28/557009528.db2.gz KLVLXGAILHRDLI-UHFFFAOYSA-N 0 0 426.335 6.313 40 0 IKABRN Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000409215614 557010404 /nfs/dbraw/zinc/01/04/04/557010404.db2.gz CIKRIDNGEHKFFY-UHFFFAOYSA-N 0 0 448.979 5.305 40 0 IKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2C)nc1-c1cc(C)ccc1C ZINC000409194422 557010806 /nfs/dbraw/zinc/01/08/06/557010806.db2.gz BRFKWJDOKMOWSR-UHFFFAOYSA-N 0 0 434.605 6.598 40 0 IKABRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3-c3ccccc3)n2C)cc1 ZINC000409196877 557010875 /nfs/dbraw/zinc/01/08/75/557010875.db2.gz ZNTAOISKRJCDAF-RQZHXJHFSA-N 0 0 428.557 5.869 40 0 IKABRN O=C1S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1CCc1ccccc1 ZINC000409217555 557012277 /nfs/dbraw/zinc/01/22/77/557012277.db2.gz PZNOQHDDYGGQPU-XQNSMLJCSA-N 0 0 449.959 6.198 40 0 IKABRN Clc1cccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)c1 ZINC000409198403 557012453 /nfs/dbraw/zinc/01/24/53/557012453.db2.gz FRMOAQPMVABARV-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN Cc1ccc(COc2c(Cl)cc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 ZINC000409197701 557012534 /nfs/dbraw/zinc/01/25/34/557012534.db2.gz MLHIEOCEOXVKBB-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN Clc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 ZINC000409198756 557012740 /nfs/dbraw/zinc/01/27/40/557012740.db2.gz KNHGOSNXLXYXAF-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN COc1cc(OC)cc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)c1 ZINC000409198956 557012761 /nfs/dbraw/zinc/01/27/61/557012761.db2.gz GJQKFDSWFQHGTM-QPLCGJKRSA-N 0 0 430.529 5.179 40 0 IKABRN Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1Br ZINC000409199593 557013192 /nfs/dbraw/zinc/01/31/92/557013192.db2.gz HYFOUPAWVJNJLM-BZZOAKBMSA-N 0 0 449.373 5.924 40 0 IKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(OC)cc2)nc1-c1ccc(F)cc1 ZINC000409200146 557013204 /nfs/dbraw/zinc/01/32/04/557013204.db2.gz QPQIZHPHXUSUTP-UHFFFAOYSA-N 0 0 426.513 5.512 40 0 IKABRN COc1ccc(-c2sc(NC(=O)CC[C@@H](O)c3ccccc3)nc2-c2ccccc2)cc1 ZINC000409200248 557013244 /nfs/dbraw/zinc/01/32/44/557013244.db2.gz KEUPARVRLHGVOH-JOCHJYFZSA-N 0 0 444.556 5.938 40 0 IKABRN Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000409200866 557014101 /nfs/dbraw/zinc/01/41/01/557014101.db2.gz JVPVADMVFJNZTE-YBFXNURJSA-N 0 0 430.312 6.803 40 0 IKABRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000409201645 557014340 /nfs/dbraw/zinc/01/43/40/557014340.db2.gz NHHKXJCPPFODAY-JCMHNJIXSA-N 0 0 425.550 5.809 40 0 IKABRN Cc1cccc(N2C(=O)c3ccc(NC(=O)c4ccc(Br)cc4)cc3C2=O)c1C ZINC000020417700 557014545 /nfs/dbraw/zinc/01/45/45/557014545.db2.gz NORYDJKTFDUCDL-UHFFFAOYSA-N 0 0 449.304 5.119 40 0 IKABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C1=O ZINC000409202189 557014664 /nfs/dbraw/zinc/01/46/64/557014664.db2.gz PUFZFCISLZJKDK-RQNDZEIBSA-N 0 0 431.535 5.117 40 0 IKABRN CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCc2ccccc2)C1=O ZINC000409203397 557014867 /nfs/dbraw/zinc/01/48/67/557014867.db2.gz VZRVRYIEHYKWOC-MOHJPFBDSA-N 0 0 431.557 6.298 40 0 IKABRN Cc1sc(NC(=O)CCC(=O)c2cc(C)ccc2C)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409203995 557015142 /nfs/dbraw/zinc/01/51/42/557015142.db2.gz AYUCXEXZODUAAY-UHFFFAOYSA-N 0 0 447.387 6.644 40 0 IKABRN Cc1sc(=NC(=O)C(c2ccccc2)c2ccccc2)n(C)c1-c1ccc(Cl)cc1 ZINC000409204152 557015201 /nfs/dbraw/zinc/01/52/01/557015201.db2.gz CIGULOLCJUMWTK-RFBIWTDZSA-N 0 0 432.976 5.975 40 0 IKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1CCc1ccccc1 ZINC000409203754 557015229 /nfs/dbraw/zinc/01/52/29/557015229.db2.gz YRACWACGLRFACR-XQNSMLJCSA-N 0 0 433.504 5.684 40 0 IKABRN O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409205125 557015466 /nfs/dbraw/zinc/01/54/66/557015466.db2.gz MFHQVMOILBAWHZ-UHFFFAOYSA-N 0 0 447.619 5.853 40 0 IKABRN Cc1ccc(-c2sc(NC(=O)CCC(=O)c3ccccc3)nc2-c2ccccc2)cc1 ZINC000409204820 557015499 /nfs/dbraw/zinc/01/54/99/557015499.db2.gz JVMOAPREBOBDKF-UHFFFAOYSA-N 0 0 426.541 6.387 40 0 IKABRN Fc1cccc(COc2c(Cl)cc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)c1 ZINC000409205590 557015570 /nfs/dbraw/zinc/01/55/70/557015570.db2.gz QZVBQLUKOQEBKE-UHFFFAOYSA-N 0 0 445.148 7.630 40 0 IKABRN COc1ccccc1C(=O)Oc1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 ZINC000409205356 557015589 /nfs/dbraw/zinc/01/55/89/557015589.db2.gz PXDDBUBRCSVFSM-BKUYFWCQSA-N 0 0 447.874 5.221 40 0 IKABRN S=C(c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)N1CCCCC1 ZINC000409206831 557016491 /nfs/dbraw/zinc/01/64/91/557016491.db2.gz LWFYOVRBQGAZHQ-UHFFFAOYSA-N 0 0 447.829 6.267 40 0 IKABRN Brc1ccc(COc2cccc(CNc3ccc(Br)cc3)c2)cc1 ZINC000409207149 557017116 /nfs/dbraw/zinc/01/71/16/557017116.db2.gz SJLYTKHBJZKXTE-UHFFFAOYSA-N 0 0 447.170 6.403 40 0 IKABRN O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409223588 557017592 /nfs/dbraw/zinc/01/75/92/557017592.db2.gz HAOYZMJQJWPZTN-VXLYETTFSA-N 0 0 440.883 5.307 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccccc3)c2)C1=O)c1ccccc1 ZINC000409223564 557017733 /nfs/dbraw/zinc/01/77/33/557017733.db2.gz GYNQPCSGBQLOKN-HZHRSRAPSA-N 0 0 429.497 5.185 40 0 IKABRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409208923 557019984 /nfs/dbraw/zinc/01/99/84/557019984.db2.gz DGLJEHUWJUQMSB-MOSHPQCFSA-N 0 0 433.932 6.285 40 0 IKABRN O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1CCc1ccccc1 ZINC000409209207 557020322 /nfs/dbraw/zinc/02/03/22/557020322.db2.gz HRLPCRXIFIVWCN-LYBHJNIJSA-N 0 0 445.540 5.423 40 0 IKABRN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1Cl ZINC000409239885 557020981 /nfs/dbraw/zinc/02/09/81/557020981.db2.gz RLPCMBZNVFLTNP-OVCLIPMQSA-N 0 0 441.723 5.322 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O ZINC000409233309 557024964 /nfs/dbraw/zinc/02/49/64/557024964.db2.gz FJZDEDCFDUCNJO-XDHOZWIPSA-N 0 0 446.366 5.783 40 0 IKABRN COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O ZINC000409234132 557025179 /nfs/dbraw/zinc/02/51/79/557025179.db2.gz MCFBMYWWQRFINH-BOPFTXTBSA-N 0 0 436.327 5.090 40 0 IKABRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000409212257 557025767 /nfs/dbraw/zinc/02/57/67/557025767.db2.gz PBOVHPKFIMAHCE-MOSHPQCFSA-N 0 0 433.932 6.285 40 0 IKABRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1C(C)C ZINC000409234601 557025909 /nfs/dbraw/zinc/02/59/09/557025909.db2.gz LVHLWWVBYGBAPT-VCHYOVAHSA-N 0 0 431.945 5.014 40 0 IKABRN CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O)C(C)C ZINC000409214124 557027419 /nfs/dbraw/zinc/02/74/19/557027419.db2.gz RGVSRUJBDHITJE-ODLFYWEKSA-N 0 0 446.956 5.282 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C1=O ZINC000409248040 557029298 /nfs/dbraw/zinc/02/92/98/557029298.db2.gz JPRJCHSCCBKFKI-FYJGNVAPSA-N 0 0 433.533 5.035 40 0 IKABRN CCCCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OCC ZINC000409214620 557029585 /nfs/dbraw/zinc/02/95/85/557029585.db2.gz WMAVAFUHQKGSEU-XLNRJJMWSA-N 0 0 425.550 5.543 40 0 IKABRN O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409217463 557031566 /nfs/dbraw/zinc/03/15/66/557031566.db2.gz VQNZPRDAODJZTK-GZTJUZNOSA-N 0 0 448.352 6.979 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccccc3F)cc2)C1=O)c1ccccc1 ZINC000409217594 557031893 /nfs/dbraw/zinc/03/18/93/557031893.db2.gz DOECYURGZDSUAX-OEAKJJBVSA-N 0 0 447.487 5.324 40 0 IKABRN CCn1c(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@@H]32)nnc1-c1ccccc1 ZINC000408534597 557032278 /nfs/dbraw/zinc/03/22/78/557032278.db2.gz TUNMGRZFXWJESQ-ICSRJNTNSA-N 0 0 446.601 5.059 40 0 IKABRN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000408533756 557032366 /nfs/dbraw/zinc/03/23/66/557032366.db2.gz QMQHDEWIKYBFDL-QFIPXVFZSA-N 0 0 436.577 5.003 40 0 IKABRN C/C(=C\c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000408536034 557032611 /nfs/dbraw/zinc/03/26/11/557032611.db2.gz PPBPVHYOSYYTJE-CSKARUKUSA-N 0 0 441.075 5.068 40 0 IKABRN Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)c1 ZINC000409242784 557032646 /nfs/dbraw/zinc/03/26/46/557032646.db2.gz TVYINSUDVHBZSZ-ODLFYWEKSA-N 0 0 427.287 5.655 40 0 IKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2=O)cc1 ZINC000409242997 557032934 /nfs/dbraw/zinc/03/29/34/557032934.db2.gz UCWKMGUGKIIRIR-XDHOZWIPSA-N 0 0 426.394 5.367 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccccc2)C1=O)c1ccccc1 ZINC000409220125 557033352 /nfs/dbraw/zinc/03/33/52/557033352.db2.gz UNYVGTKSNLOMJS-HZHRSRAPSA-N 0 0 429.497 5.185 40 0 IKABRN COCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O ZINC000409243744 557033465 /nfs/dbraw/zinc/03/34/65/557033465.db2.gz XYMYMFTUDQOQDJ-XQNSMLJCSA-N 0 0 433.529 5.492 40 0 IKABRN O=C(CSc1ccc(Br)cc1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 ZINC000408541643 557033618 /nfs/dbraw/zinc/03/36/18/557033618.db2.gz COGSWSAWRYPUAH-WMZOPIPTSA-N 0 0 430.392 5.543 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)c(C)c1 ZINC000408543382 557034219 /nfs/dbraw/zinc/03/42/19/557034219.db2.gz DBDNRRQQBHADMJ-UHFFFAOYSA-N 0 0 436.577 5.590 40 0 IKABRN CC(C)c1ccccc1NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000408547645 557034518 /nfs/dbraw/zinc/03/45/18/557034518.db2.gz KPAJFRRGVPBBTM-UHFFFAOYSA-N 0 0 449.787 5.175 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000408547717 557034538 /nfs/dbraw/zinc/03/45/38/557034538.db2.gz LWGKOCSZYKZMGJ-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 ZINC000409255853 557034767 /nfs/dbraw/zinc/03/47/67/557034767.db2.gz LKWZIJIKJZZBCA-UHFFFAOYSA-N 0 0 440.927 5.295 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)c1 ZINC000408547917 557035033 /nfs/dbraw/zinc/03/50/33/557035033.db2.gz OOBQYUCFAOKGKA-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Clc1ccc(COc2ccc(Br)cc2-c2nc3ccccc3s2)cc1 ZINC000409256231 557035097 /nfs/dbraw/zinc/03/50/97/557035097.db2.gz KTWMLSXAQZCUCD-UHFFFAOYSA-N 0 0 430.754 6.958 40 0 IKABRN CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000408549082 557035208 /nfs/dbraw/zinc/03/52/08/557035208.db2.gz WQWSCXAAIUUMMS-UHFFFAOYSA-N 0 0 426.563 5.078 40 0 IKABRN COc1cc(-c2nc3ccccc3s2)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000409257337 557035298 /nfs/dbraw/zinc/03/52/98/557035298.db2.gz ODKYHHRTNPWGSM-UHFFFAOYSA-N 0 0 433.573 6.727 40 0 IKABRN CCN(CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2)c1ccccc1 ZINC000408549329 557035361 /nfs/dbraw/zinc/03/53/61/557035361.db2.gz XLNWNRSDMOYJBR-UHFFFAOYSA-N 0 0 433.577 5.344 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1C ZINC000408545882 557035787 /nfs/dbraw/zinc/03/57/87/557035787.db2.gz PDMWLVAFWNGQAE-UHFFFAOYSA-N 0 0 448.466 5.375 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408547294 557035994 /nfs/dbraw/zinc/03/59/94/557035994.db2.gz IEOKBMJPJNJODJ-QFIPXVFZSA-N 0 0 426.925 5.268 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000408547280 557036087 /nfs/dbraw/zinc/03/60/87/557036087.db2.gz YFWAXOJJEJQATA-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN CCOc1cc(C(=O)OCC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408551793 557036301 /nfs/dbraw/zinc/03/63/01/557036301.db2.gz GETKPBQGUGBPNB-UHFFFAOYSA-N 0 0 438.907 5.666 40 0 IKABRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccccc1 ZINC000408553728 557036319 /nfs/dbraw/zinc/03/63/19/557036319.db2.gz BOHRCUXNZLCLAR-UHFFFAOYSA-N 0 0 446.772 6.692 40 0 IKABRN O=C1CS[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1c1ccc(Cl)cc1 ZINC000408553749 557036344 /nfs/dbraw/zinc/03/63/44/557036344.db2.gz BOWWNSNGRBXTEI-QFIPXVFZSA-N 0 0 430.356 6.351 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C(=O)NC1CCCCC1 ZINC000408550784 557036390 /nfs/dbraw/zinc/03/63/90/557036390.db2.gz HFLHTHUOWIBYHQ-UHFFFAOYSA-N 0 0 441.380 5.165 40 0 IKABRN Cc1ccccc1NCc1ccc(OCC(=O)Nc2ccccc2)c(Br)c1 ZINC000409251467 557036614 /nfs/dbraw/zinc/03/66/14/557036614.db2.gz QJBJEHKRDNMDNQ-UHFFFAOYSA-N 0 0 425.326 5.387 40 0 IKABRN CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1 ZINC000408552561 557036621 /nfs/dbraw/zinc/03/66/21/557036621.db2.gz QWHSMUQHYDQPOT-UHFFFAOYSA-N 0 0 438.549 5.091 40 0 IKABRN COc1cc(C(=O)Nc2cccc(O)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408552097 557036656 /nfs/dbraw/zinc/03/66/56/557036656.db2.gz HHKUWSVWNMIXPG-UHFFFAOYSA-N 0 0 442.309 5.303 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408552569 557036676 /nfs/dbraw/zinc/03/66/76/557036676.db2.gz QYHQJQYIFKBAJG-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN CCOc1cc(C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552470 557036699 /nfs/dbraw/zinc/03/66/99/557036699.db2.gz ISZWACLBJNWNQZ-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC ZINC000408554250 557036703 /nfs/dbraw/zinc/03/67/03/557036703.db2.gz CPSDRWQUOZYRIO-UHFFFAOYSA-N 0 0 427.884 5.801 40 0 IKABRN Clc1cccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)c1 ZINC000408555411 557036981 /nfs/dbraw/zinc/03/69/81/557036981.db2.gz FXJSQNHXZVXIPA-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN O=C(COc1cccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)c1)Nc1ccccc1 ZINC000408555051 557037022 /nfs/dbraw/zinc/03/70/22/557037022.db2.gz FPSRCNHQWNVJPO-QHCPKHFHSA-N 0 0 438.936 5.136 40 0 IKABRN O=C1CS[C@H](c2cc(Cl)ccc2OCc2ccccc2F)N1c1ccc(Cl)cc1 ZINC000408555058 557037035 /nfs/dbraw/zinc/03/70/35/557037035.db2.gz FQLNCFIJTPVEPB-JOCHJYFZSA-N 0 0 448.346 6.490 40 0 IKABRN Fc1ccccc1Cn1cc(CNc2ccc(Br)c(Cl)c2)c2ccccc21 ZINC000408554835 557037038 /nfs/dbraw/zinc/03/70/38/557037038.db2.gz FWFXELQDRTXBTJ-UHFFFAOYSA-N 0 0 443.747 6.857 40 0 IKABRN COc1ccccc1NC(=O)COc1ccc(CNc2cc(Cl)ccc2C)cc1Cl ZINC000408556403 557037234 /nfs/dbraw/zinc/03/72/34/557037234.db2.gz KIPNNGINXNMYOV-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN O=C1CS[C@@H](c2ccccc2OCc2cccc3ccccc32)N1c1ccc(Cl)cc1 ZINC000408555419 557037249 /nfs/dbraw/zinc/03/72/49/557037249.db2.gz FXQRTQMBYUDABG-SANMLTNESA-N 0 0 445.971 6.851 40 0 IKABRN O=C1CS[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408555755 557037256 /nfs/dbraw/zinc/03/72/56/557037256.db2.gz IGKVOXAACWRLBC-JOCHJYFZSA-N 0 0 448.346 6.490 40 0 IKABRN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1NC(=O)c1ccccc1 ZINC000408555824 557037302 /nfs/dbraw/zinc/03/73/02/557037302.db2.gz GSEHJSGKWJKDPA-UHFFFAOYSA-N 0 0 444.940 5.100 40 0 IKABRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 ZINC000408555510 557037313 /nfs/dbraw/zinc/03/73/13/557037313.db2.gz HCOGZABPXQEAKD-HSZRJFAPSA-N 0 0 443.927 5.845 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1Cl ZINC000408555656 557037355 /nfs/dbraw/zinc/03/73/55/557037355.db2.gz HTVFHCNKPUWFKI-UHFFFAOYSA-N 0 0 433.310 6.071 40 0 IKABRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1OC ZINC000408557065 557037499 /nfs/dbraw/zinc/03/74/99/557037499.db2.gz MSGUAPDPKXQUHH-UHFFFAOYSA-N 0 0 449.570 5.884 40 0 IKABRN COc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2OC)cc1 ZINC000408556828 557037546 /nfs/dbraw/zinc/03/75/46/557037546.db2.gz LWOJVQRYPYWRHA-UHFFFAOYSA-N 0 0 440.927 5.295 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408556581 557037613 /nfs/dbraw/zinc/03/76/13/557037613.db2.gz IQMJSYQDEJWFRO-UHFFFAOYSA-N 0 0 438.549 5.180 40 0 IKABRN CCOc1cc(C(=O)Nc2cccc(F)c2)cc(Br)c1OCc1ccccc1 ZINC000408557577 557037861 /nfs/dbraw/zinc/03/78/61/557037861.db2.gz OUPVEXDUMCELPO-UHFFFAOYSA-N 0 0 444.300 5.818 40 0 IKABRN Cc1c(Cl)cccc1NCc1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 ZINC000408557584 557037881 /nfs/dbraw/zinc/03/78/81/557037881.db2.gz OYQDFWNNVYPAHM-UHFFFAOYSA-N 0 0 433.310 6.071 40 0 IKABRN COc1ccccc1NC(=O)COc1ccc(CNc2cccc(Cl)c2)cc1Cl ZINC000408557600 557037944 /nfs/dbraw/zinc/03/79/44/557037944.db2.gz PGDIXUXZZCAIDI-UHFFFAOYSA-N 0 0 431.319 5.632 40 0 IKABRN Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000408558288 557038183 /nfs/dbraw/zinc/03/81/83/557038183.db2.gz QXMHOPRUPRGVKD-UHFFFAOYSA-N 0 0 441.380 5.119 40 0 IKABRN CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558316 557038186 /nfs/dbraw/zinc/03/81/86/557038186.db2.gz QMBOMTSKJDBSGC-UHFFFAOYSA-N 0 0 444.940 5.100 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1NC(=O)c1ccccc1C ZINC000408558312 557038217 /nfs/dbraw/zinc/03/82/17/557038217.db2.gz QLPGOEPWQPGEAD-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN O=C1CS[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408558505 557038235 /nfs/dbraw/zinc/03/82/35/557038235.db2.gz RPEIWGNGXYPLBA-JOCHJYFZSA-N 0 0 448.346 6.490 40 0 IKABRN COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408558569 557038242 /nfs/dbraw/zinc/03/82/42/557038242.db2.gz UWXMKYUPJNJVGN-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(CNc2ccc(F)cc2)cc1Cl ZINC000408559188 557038471 /nfs/dbraw/zinc/03/84/71/557038471.db2.gz XVENOENZMBYWQA-UHFFFAOYSA-N 0 0 433.310 6.071 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1F ZINC000408559190 557038503 /nfs/dbraw/zinc/03/85/03/557038503.db2.gz XVHZPLNBLPXJQA-UHFFFAOYSA-N 0 0 442.918 5.816 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1 ZINC000409264723 557038538 /nfs/dbraw/zinc/03/85/38/557038538.db2.gz RMAXPOMTZDISAW-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(=O)c1ccccc1C ZINC000408559048 557038525 /nfs/dbraw/zinc/03/85/25/557038525.db2.gz VEXPXPWHDJOEGJ-UHFFFAOYSA-N 0 0 438.549 5.180 40 0 IKABRN COc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(Cl)c3)cc2Cl)cc1 ZINC000408559227 557038771 /nfs/dbraw/zinc/03/87/71/557038771.db2.gz YJUQUOXHIMGUAO-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN O=C(COc1ccc(CNc2ccccc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408559370 557038794 /nfs/dbraw/zinc/03/87/94/557038794.db2.gz ZKQBWXDXXMTSRZ-UHFFFAOYSA-N 0 0 435.738 6.276 40 0 IKABRN O=C(CSCc1ccccc1Br)NC(c1ccccc1)c1ccccc1 ZINC000408563776 557039117 /nfs/dbraw/zinc/03/91/17/557039117.db2.gz PKCVQAMPRSTOPI-UHFFFAOYSA-N 0 0 426.379 5.588 40 0 IKABRN COc1cc(CNc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409266275 557039276 /nfs/dbraw/zinc/03/92/76/557039276.db2.gz XLLTVESKYRSLEI-UHFFFAOYSA-N 0 0 438.955 5.903 40 0 IKABRN O=c1[nH]c(-c2cc(Br)ccc2OCc2ccc(Cl)cc2)nc2ccccc12 ZINC000409266680 557039342 /nfs/dbraw/zinc/03/93/42/557039342.db2.gz RCJAGPXAURALSB-UHFFFAOYSA-N 0 0 441.712 5.997 40 0 IKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000408560772 557039363 /nfs/dbraw/zinc/03/93/63/557039363.db2.gz FBHVYRNZAKYYAY-ROMGYVFFSA-N 0 0 447.431 6.890 40 0 IKABRN CCOc1cc(-c2nc3ccccc3s2)cc(Br)c1OCc1ccccc1 ZINC000409267841 557039653 /nfs/dbraw/zinc/03/96/53/557039653.db2.gz XYXBXGQLWGOTEV-UHFFFAOYSA-N 0 0 440.362 6.704 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408560869 557039742 /nfs/dbraw/zinc/03/97/42/557039742.db2.gz FJABPKGELLZUPW-LVWGJNHUSA-N 0 0 449.403 6.246 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Br)c1 ZINC000409259706 557040263 /nfs/dbraw/zinc/04/02/63/557040263.db2.gz CYABNZQKEFOLDL-UHFFFAOYSA-N 0 0 425.326 5.387 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562258 557040325 /nfs/dbraw/zinc/04/03/25/557040325.db2.gz OKYKGWHQPCFHJU-QPLCGJKRSA-N 0 0 438.593 5.564 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(C)cc1 ZINC000408562390 557040334 /nfs/dbraw/zinc/04/03/34/557040334.db2.gz PIIUNKCNUWDMNQ-GYHWCHFESA-N 0 0 443.410 6.001 40 0 IKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)cc1 ZINC000408562185 557040335 /nfs/dbraw/zinc/04/03/35/557040335.db2.gz NXQHUPMYUNKOHN-XDOYNYLZSA-N 0 0 431.355 5.057 40 0 IKABRN CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(F)cc3)n2CC)cc1 ZINC000408562473 557040348 /nfs/dbraw/zinc/04/03/48/557040348.db2.gz PWOIEFNXSQLHKU-LCUIJRPUSA-N 0 0 426.557 5.858 40 0 IKABRN Cc1ccc(NC(=O)COc2c(Cl)cc(CNc3ccccc3)cc2Cl)cc1Cl ZINC000409260876 557040510 /nfs/dbraw/zinc/04/05/10/557040510.db2.gz XVNHAZAXTRYSQE-UHFFFAOYSA-N 0 0 449.765 6.585 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(C)cc1 ZINC000408562757 557040536 /nfs/dbraw/zinc/04/05/36/557040536.db2.gz SAUSDGRJUNLQGJ-BZZOAKBMSA-N 0 0 428.985 5.901 40 0 IKABRN O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Br)Nc1ccccc1 ZINC000409262140 557040736 /nfs/dbraw/zinc/04/07/36/557040736.db2.gz FLBCCMNJJVCTJQ-UHFFFAOYSA-N 0 0 445.744 5.732 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)N1NC2=C(CCCCC2)[C@]1(O)C(F)(F)F ZINC000408563575 557040793 /nfs/dbraw/zinc/04/07/93/557040793.db2.gz OIVQUUNMACWVLR-KNQAVFIVSA-N 0 0 438.490 5.143 40 0 IKABRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c(Br)c1 ZINC000408563385 557040816 /nfs/dbraw/zinc/04/08/16/557040816.db2.gz VOWJDMAUUIWRFN-LNVKXUELSA-N 0 0 445.382 5.366 40 0 IKABRN S=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(Cc2ccccc2)CC1 ZINC000408571951 557040834 /nfs/dbraw/zinc/04/08/34/557040834.db2.gz DMRPHJBOIFNADS-UHFFFAOYSA-N 0 0 437.008 5.412 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2Cl)c1 ZINC000409263318 557041086 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0 0 448.857 5.757 40 0 IKABRN Cc1ccc(-c2cc(C(F)(F)F)nc(SCc3nc4ccccc4c(=O)[nH]3)n2)cc1 ZINC000408582020 557044879 /nfs/dbraw/zinc/04/48/79/557044879.db2.gz LCLOXUBGXJUXJW-UHFFFAOYSA-N 0 0 428.439 5.412 40 0 IKABRN S=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408575489 557045157 /nfs/dbraw/zinc/04/51/57/557045157.db2.gz ONTBKJHBABAPDG-UHFFFAOYSA-N 0 0 446.355 5.766 40 0 IKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1)c1ccccc1 ZINC000408582836 557045159 /nfs/dbraw/zinc/04/51/59/557045159.db2.gz YAYPWGBRMIRIGR-UHFFFAOYSA-N 0 0 449.359 5.212 40 0 IKABRN COc1cccc(CNC(=S)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c1 ZINC000408575478 557045167 /nfs/dbraw/zinc/04/51/67/557045167.db2.gz OLWHZXSSWAJSEF-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(N2CCCCC2)cc1 ZINC000408575453 557045175 /nfs/dbraw/zinc/04/51/75/557045175.db2.gz VAIUYRQFBJCLLD-JQIJEIRASA-N 0 0 431.561 5.463 40 0 IKABRN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1ccc(Cl)cc1Cl ZINC000408584386 557045224 /nfs/dbraw/zinc/04/52/24/557045224.db2.gz PDMLDUFMYVKIQA-UHFFFAOYSA-N 0 0 438.380 5.575 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408575834 557045523 /nfs/dbraw/zinc/04/55/23/557045523.db2.gz OOSXBNROIOFCJB-UHFFFAOYSA-N 0 0 446.399 6.436 40 0 IKABRN COC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)sc2c1CCC2 ZINC000408576318 557045899 /nfs/dbraw/zinc/04/58/99/557045899.db2.gz SGLMONUNMJTINY-HMMYKYKNSA-N 0 0 433.529 5.211 40 0 IKABRN O=C1N=C(N(Cc2ccccc2)Cc2ccccc2)NC1(c1ccccc1)c1ccccc1 ZINC000017289070 557046079 /nfs/dbraw/zinc/04/60/79/557046079.db2.gz ITONYFVJBLAYNH-UHFFFAOYSA-N 0 0 431.539 5.118 40 0 IKABRN Cc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1Cl ZINC000408589208 557049340 /nfs/dbraw/zinc/04/93/40/557049340.db2.gz ZAAIGFMKOYYZOQ-UHFFFAOYSA-N 0 0 430.729 6.242 40 0 IKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409230047 557056035 /nfs/dbraw/zinc/05/60/35/557056035.db2.gz AYPWPYOZFGSDAE-BXUJETTOSA-N 0 0 444.940 5.192 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409230048 557056081 /nfs/dbraw/zinc/05/60/81/557056081.db2.gz AYPWPYOZFGSDAE-ONDHQXCVSA-N 0 0 444.940 5.192 40 0 IKABRN Cc1cc(C)c(NC(=O)CSc2nnc(COc3cccc4ccccc43)n2C)c(C)c1 ZINC000408597407 557056686 /nfs/dbraw/zinc/05/66/86/557056686.db2.gz YYYAWKGPSFCKIR-UHFFFAOYSA-N 0 0 446.576 5.203 40 0 IKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000408594501 557058107 /nfs/dbraw/zinc/05/81/07/557058107.db2.gz HNLVTENRGODEMT-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN O[C@@H](COc1ccccc1Cl)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 ZINC000082086510 557058212 /nfs/dbraw/zinc/05/82/12/557058212.db2.gz RKYVEHDGJYDZAB-GOSISDBHSA-N 0 0 427.331 5.374 40 0 IKABRN CC(C)c1ccc(NC(=O)CSc2nnc(COc3cccc4ccccc43)n2C)cc1 ZINC000408595290 557058745 /nfs/dbraw/zinc/05/87/45/557058745.db2.gz LXJPNTORLLCKAN-UHFFFAOYSA-N 0 0 446.576 5.402 40 0 IKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccccc1C ZINC000408595805 557059017 /nfs/dbraw/zinc/05/90/17/557059017.db2.gz OOBNQQLKWHHWAK-UHFFFAOYSA-N 0 0 432.549 5.069 40 0 IKABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000408596084 557059496 /nfs/dbraw/zinc/05/94/96/557059496.db2.gz OFLHPUIOURMKLJ-UHFFFAOYSA-N 0 0 444.988 5.186 40 0 IKABRN COC(=O)c1cc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)ccc1Cl ZINC000409323425 557059836 /nfs/dbraw/zinc/05/98/36/557059836.db2.gz NVXQQTXPZAWCRJ-QGOAFFKASA-N 0 0 426.299 5.959 40 0 IKABRN CCCOc1ccccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000408599197 557062227 /nfs/dbraw/zinc/06/22/27/557062227.db2.gz FVTHMZRXZNQUSU-DJKKODMXSA-N 0 0 431.897 5.094 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409328936 557063153 /nfs/dbraw/zinc/06/31/53/557063153.db2.gz ASWUAKHJVPZEFB-UHFFFAOYSA-N 0 0 440.956 5.712 40 0 IKABRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(C)C)C1=O ZINC000408599784 557063718 /nfs/dbraw/zinc/06/37/18/557063718.db2.gz KREOQYZOOQVADZ-UDWIEESQSA-N 0 0 438.549 5.013 40 0 IKABRN Cc1cccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)c1C ZINC000409330049 557064463 /nfs/dbraw/zinc/06/44/63/557064463.db2.gz JWVDNHWVFNACMU-UHFFFAOYSA-N 0 0 426.929 5.229 40 0 IKABRN COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1cccc(F)c1 ZINC000408611031 557065186 /nfs/dbraw/zinc/06/51/86/557065186.db2.gz PQZJOYFOHIPZHS-UHFFFAOYSA-N 0 0 430.317 6.096 40 0 IKABRN Cc1ccc(COc2ccc(CNc3ccc(F)c(Cl)c3)cc2Br)cc1 ZINC000408611581 557066660 /nfs/dbraw/zinc/06/66/60/557066660.db2.gz UAPFBGYPLOGHSE-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O ZINC000408601146 557068600 /nfs/dbraw/zinc/06/86/00/557068600.db2.gz ITPOHOBYNLQCRR-LDADJPATSA-N 0 0 432.339 5.474 40 0 IKABRN C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000408602117 557068620 /nfs/dbraw/zinc/06/86/20/557068620.db2.gz CJBFWENYGYSOCU-KRWDZBQOSA-N 0 0 444.512 5.168 40 0 IKABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccccc1 ZINC000408602329 557068727 /nfs/dbraw/zinc/06/87/27/557068727.db2.gz 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CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O ZINC000408639974 557078859 /nfs/dbraw/zinc/07/88/59/557078859.db2.gz GVIZWXAQHBZSOM-SFHVURJKSA-N 0 0 434.923 5.686 40 0 IKABRN Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cc(Cl)c(Br)cc2C)CC1=O ZINC000408639859 557078990 /nfs/dbraw/zinc/07/89/90/557078990.db2.gz HIIYCAXJKRTSCK-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C1=O ZINC000409237401 557079078 /nfs/dbraw/zinc/07/90/78/557079078.db2.gz ILNVQHVOYAPOKN-WOJGMQOQSA-N 0 0 449.334 5.274 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)cc1 ZINC000408640472 557079189 /nfs/dbraw/zinc/07/91/89/557079189.db2.gz IBLOLFCZUSSJTK-SFHVURJKSA-N 0 0 434.923 5.741 40 0 IKABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1C ZINC000408640609 557079214 /nfs/dbraw/zinc/07/92/14/557079214.db2.gz JPTMZVCNCQQAIA-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)cc1 ZINC000408640427 557079219 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ZINC000408641440 557080177 /nfs/dbraw/zinc/08/01/77/557080177.db2.gz LLMZBKRSHWSDSZ-NRFANRHFSA-N 0 0 444.531 5.178 40 0 IKABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O ZINC000408641729 557080182 /nfs/dbraw/zinc/08/01/82/557080182.db2.gz MIUXICINRHYTCN-LJQANCHMSA-N 0 0 430.504 5.178 40 0 IKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c(C)c1 ZINC000408641760 557080249 /nfs/dbraw/zinc/08/02/49/557080249.db2.gz MRRGOORKDYRCAU-GOSISDBHSA-N 0 0 434.923 5.741 40 0 IKABRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)cc1 ZINC000408641467 557080257 /nfs/dbraw/zinc/08/02/57/557080257.db2.gz LRYLOMWYKYBOED-LJQANCHMSA-N 0 0 430.504 5.178 40 0 IKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O ZINC000408641743 557080286 /nfs/dbraw/zinc/08/02/86/557080286.db2.gz MMWISBJJOOAYKW-OAHLLOKOSA-N 0 0 449.776 5.219 40 0 IKABRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=O)c1 ZINC000409353283 557080287 /nfs/dbraw/zinc/08/02/87/557080287.db2.gz 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CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000408644402 557080811 /nfs/dbraw/zinc/08/08/11/557080811.db2.gz FLEUTCOUFSIHIG-UHFFFAOYSA-N 0 0 438.527 5.822 40 0 IKABRN O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)Nc1cccc(Cl)c1 ZINC000408643689 557080888 /nfs/dbraw/zinc/08/08/88/557080888.db2.gz BOPWFGPTRYDXJY-UHFFFAOYSA-N 0 0 434.854 5.490 40 0 IKABRN CC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1 ZINC000408643696 557080892 /nfs/dbraw/zinc/08/08/92/557080892.db2.gz BWHTWTPARXISIT-UHFFFAOYSA-N 0 0 442.446 5.039 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1C ZINC000408642967 557080908 /nfs/dbraw/zinc/08/09/08/557080908.db2.gz QDHGKOHKIYQVQU-SFHVURJKSA-N 0 0 434.923 5.741 40 0 IKABRN Cc1cccc(CN2C(=O)N/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=O)c1 ZINC000409252429 557080956 /nfs/dbraw/zinc/08/09/56/557080956.db2.gz RUOAZQHFAHYHPD-ZVHZXABRSA-N 0 0 439.490 5.230 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)cc1 ZINC000409250646 557080962 /nfs/dbraw/zinc/08/09/62/557080962.db2.gz MHLXHVLNUDBQIV-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408644853 557081107 /nfs/dbraw/zinc/08/11/07/557081107.db2.gz HURDDCAQHHUNHY-UHFFFAOYSA-N 0 0 447.840 5.673 40 0 IKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408645345 557081188 /nfs/dbraw/zinc/08/11/88/557081188.db2.gz UREFMZTTYOXVIC-OAHLLOKOSA-N 0 0 441.314 5.777 40 0 IKABRN COc1cc(-c2nc3ccccc3s2)cc(Br)c1OC(=O)c1cccs1 ZINC000409254017 557081284 /nfs/dbraw/zinc/08/12/84/557081284.db2.gz WFAVTQPREPGQNA-UHFFFAOYSA-N 0 0 446.347 6.015 40 0 IKABRN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O ZINC000408645647 557081491 /nfs/dbraw/zinc/08/14/91/557081491.db2.gz SONGSIOSDSHIRF-NRFANRHFSA-N 0 0 428.532 5.650 40 0 IKABRN CCOc1cc(CNc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409256232 557081546 /nfs/dbraw/zinc/08/15/46/557081546.db2.gz KIOFNSOZBSSZBB-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(=O)c1cccc2ccccc21 ZINC000409256490 557081581 /nfs/dbraw/zinc/08/15/81/557081581.db2.gz OUTAUHBFCBLFBV-UHFFFAOYSA-N 0 0 436.467 5.774 40 0 IKABRN COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409258463 557081596 /nfs/dbraw/zinc/08/15/96/557081596.db2.gz UDYBXYULUDVUEG-UHFFFAOYSA-N 0 0 438.955 5.903 40 0 IKABRN Cc1ccc(C)c(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1 ZINC000409255769 557081602 /nfs/dbraw/zinc/08/16/02/557081602.db2.gz ISTXKCFHXRCYCG-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN O=c1[nH]c(-c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)nc2ccccc12 ZINC000409256472 557081621 /nfs/dbraw/zinc/08/16/21/557081621.db2.gz LMMNHIFNQRVAQZ-UHFFFAOYSA-N 0 0 447.325 6.221 40 0 IKABRN CCOc1cc(-c2nc3ccccc3s2)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000409257580 557081641 /nfs/dbraw/zinc/08/16/41/557081641.db2.gz UATIAENHQNOSPY-UHFFFAOYSA-N 0 0 447.600 7.117 40 0 IKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000409355562 557081666 /nfs/dbraw/zinc/08/16/66/557081666.db2.gz CVZVRMRCLRXSQX-JHDSZEHQSA-N 0 0 438.549 5.156 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C ZINC000409345225 557081729 /nfs/dbraw/zinc/08/17/29/557081729.db2.gz KJLMPOOTIYDONC-UHFFFAOYSA-N 0 0 447.347 5.574 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3C)cc2Br)c1 ZINC000409259657 557081835 /nfs/dbraw/zinc/08/18/35/557081835.db2.gz CBIYZTVGNZQWDS-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1C ZINC000409259654 557081868 /nfs/dbraw/zinc/08/18/68/557081868.db2.gz BZFKHCUBBUHNSZ-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000409345858 557081941 /nfs/dbraw/zinc/08/19/41/557081941.db2.gz LWXSXZFDDDRSFE-WQRHYEAKSA-N 0 0 448.466 5.504 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)CC ZINC000409345602 557081975 /nfs/dbraw/zinc/08/19/75/557081975.db2.gz JTGJPIHNXNSLBN-FAPYRAKZSA-N 0 0 431.941 6.157 40 0 IKABRN COc1cc(-c2nc3ccccc3s2)ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000409269205 557082179 /nfs/dbraw/zinc/08/21/79/557082179.db2.gz HAOSUQXDPHXWRW-UHFFFAOYSA-N 0 0 447.537 5.893 40 0 IKABRN O=c1[nH]c(-c2cc(Br)ccc2OCc2ccc(F)cc2)nc2ccccc12 ZINC000409269118 557082189 /nfs/dbraw/zinc/08/21/89/557082189.db2.gz FJSVBMZYVFTTLG-UHFFFAOYSA-N 0 0 425.257 5.483 40 0 IKABRN Cc1cccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1C ZINC000409272796 557082442 /nfs/dbraw/zinc/08/24/42/557082442.db2.gz SKMVLVCXPXMPHO-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1Cl ZINC000409269417 557082496 /nfs/dbraw/zinc/08/24/96/557082496.db2.gz JBVOHHPUXGOQDI-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000409273156 557082667 /nfs/dbraw/zinc/08/26/67/557082667.db2.gz VYTZTHJUVNLDQY-UHFFFAOYSA-N 0 0 441.270 5.537 40 0 IKABRN O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1cccc2ccccc21 ZINC000408648795 557082955 /nfs/dbraw/zinc/08/29/55/557082955.db2.gz ZRBADOXRDOVGTC-UHFFFAOYSA-N 0 0 432.303 5.488 40 0 IKABRN O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000409363190 557083123 /nfs/dbraw/zinc/08/31/23/557083123.db2.gz UFDSVJYCQVBECI-CAOOACKPSA-N 0 0 432.284 5.336 40 0 IKABRN CCOC(=O)C1=C(C(=O)OCC)[C@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000017418847 557083135 /nfs/dbraw/zinc/08/31/35/557083135.db2.gz NHOFTFPUBOZDPJ-WMPKNSHKSA-N 0 0 441.527 5.412 40 0 IKABRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc32)cc1Cl ZINC000408648307 557083125 /nfs/dbraw/zinc/08/31/25/557083125.db2.gz XGQSFPGCTFTZCD-UHFFFAOYSA-N 0 0 438.911 5.092 40 0 IKABRN Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1 ZINC000408649669 557083456 /nfs/dbraw/zinc/08/34/56/557083456.db2.gz YWINMKHKOHBYDW-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000408649790 557083489 /nfs/dbraw/zinc/08/34/89/557083489.db2.gz AHOWJKBWDMQEAL-JOCHJYFZSA-N 0 0 449.550 6.124 40 0 IKABRN O=C(Nc1ccc(Br)cc1Cl)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408646093 557084110 /nfs/dbraw/zinc/08/41/10/557084110.db2.gz VKSVBPGKCUGWDL-AWEZNQCLSA-N 0 0 443.728 5.247 40 0 IKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O ZINC000408651877 557084114 /nfs/dbraw/zinc/08/41/14/557084114.db2.gz CNFLQBFBBHWLPO-XMMPIXPASA-N 0 0 427.544 5.361 40 0 IKABRN Cc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1C ZINC000408646140 557084128 /nfs/dbraw/zinc/08/41/28/557084128.db2.gz VPKMPRATFPQZNB-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1 ZINC000408646146 557084129 /nfs/dbraw/zinc/08/41/29/557084129.db2.gz VPTZQVLBHVAWIK-SFHVURJKSA-N 0 0 434.923 5.686 40 0 IKABRN CC[C@@H](C)Oc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000409356276 557084210 /nfs/dbraw/zinc/08/42/10/557084210.db2.gz MAHGBCYHNHNINU-MQMKENTISA-N 0 0 429.925 5.437 40 0 IKABRN Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408646291 557084363 /nfs/dbraw/zinc/08/43/63/557084363.db2.gz ASZMIZUKZGGJGJ-PJYWLYPCSA-N 0 0 448.349 5.401 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2cccc(Oc3ccccc3)c2)C1=O)c1ccc(Cl)cc1 ZINC000409357158 557084524 /nfs/dbraw/zinc/08/45/24/557084524.db2.gz JEDQWDOKQJTMDM-HYARGMPZSA-N 0 0 449.915 6.052 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(CSCc2ccc(F)cc2)n1CC ZINC000409357675 557084802 /nfs/dbraw/zinc/08/48/02/557084802.db2.gz CAVFXSDAMOLOSB-UHFFFAOYSA-N 0 0 444.601 5.164 40 0 IKABRN CCc1cccc(CC)c1NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000408646600 557084852 /nfs/dbraw/zinc/08/48/52/557084852.db2.gz PYMFXNNPWJOAQN-UHFFFAOYSA-N 0 0 438.351 5.459 40 0 IKABRN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O ZINC000409358030 557085045 /nfs/dbraw/zinc/08/50/45/557085045.db2.gz JTUXJFMVXVFLLM-YBFXNURJSA-N 0 0 444.940 5.031 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409358433 557085388 /nfs/dbraw/zinc/08/53/88/557085388.db2.gz TZFNXQDDCNHQIK-HZHRSRAPSA-N 0 0 433.529 5.874 40 0 IKABRN CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000409358778 557085713 /nfs/dbraw/zinc/08/57/13/557085713.db2.gz GQISOCIOFAUVJZ-UHFFFAOYSA-N 0 0 426.611 5.079 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O ZINC000409359310 557085980 /nfs/dbraw/zinc/08/59/80/557085980.db2.gz NUVFTYVJVOPLKT-GRSHGNNSSA-N 0 0 444.940 5.111 40 0 IKABRN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1 ZINC000408647302 557086376 /nfs/dbraw/zinc/08/63/76/557086376.db2.gz WVQAMCVUBAVCCL-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2ccc(C(F)(F)F)cc2)C1=O)c1ccc(Cl)cc1 ZINC000409360561 557086607 /nfs/dbraw/zinc/08/66/07/557086607.db2.gz AYWMQNYAZIJQFL-SXGWCWSVSA-N 0 0 425.815 5.278 40 0 IKABRN O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408654729 557086728 /nfs/dbraw/zinc/08/67/28/557086728.db2.gz GLSNKERDXBRKSK-QGZVFWFLSA-N 0 0 426.299 5.619 40 0 IKABRN CCCCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409360827 557086871 /nfs/dbraw/zinc/08/68/71/557086871.db2.gz OSZNYZHRQQEPSX-XSFVSMFZSA-N 0 0 431.941 6.159 40 0 IKABRN Cc1cc(C)c(NC(=O)CSc2nnc(CSCc3ccc(F)cc3)n2C)c(C)c1 ZINC000409360999 557086934 /nfs/dbraw/zinc/08/69/34/557086934.db2.gz OLBFXNQAOWAZAS-UHFFFAOYSA-N 0 0 444.601 5.044 40 0 IKABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409375543 557087266 /nfs/dbraw/zinc/08/72/66/557087266.db2.gz MJIULJVMSDMXCP-UHFFFAOYSA-N 0 0 438.955 5.903 40 0 IKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 ZINC000409375933 557087607 /nfs/dbraw/zinc/08/76/07/557087607.db2.gz RBJDHMKPIXNANA-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)c1C ZINC000409376379 557087734 /nfs/dbraw/zinc/08/77/34/557087734.db2.gz XTIVJJOAVCAHRP-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN Cc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000409367278 557088428 /nfs/dbraw/zinc/08/84/28/557088428.db2.gz PRBHYKZHRGTMNP-UHFFFAOYSA-N 0 0 442.625 5.191 40 0 IKABRN C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652757 557089965 /nfs/dbraw/zinc/08/99/65/557089965.db2.gz IDVDGDBCFJTTLO-WOSLMQHMSA-N 0 0 448.349 5.341 40 0 IKABRN O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408657674 557091015 /nfs/dbraw/zinc/09/10/15/557091015.db2.gz ISOGERUGLRABSK-QGZVFWFLSA-N 0 0 426.299 5.619 40 0 IKABRN CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000409381852 557091149 /nfs/dbraw/zinc/09/11/49/557091149.db2.gz OHODUEJJWPMARF-UHFFFAOYSA-N 0 0 438.549 5.064 40 0 IKABRN CCc1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409383076 557091464 /nfs/dbraw/zinc/09/14/64/557091464.db2.gz YZWYRDZKLQBLLE-UHFFFAOYSA-N 0 0 442.968 5.045 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c1C ZINC000409382913 557091544 /nfs/dbraw/zinc/09/15/44/557091544.db2.gz XSSVJPQYZZEYCD-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408656829 557092057 /nfs/dbraw/zinc/09/20/57/557092057.db2.gz MLGVIFGJOQCYSG-JGSRLKPESA-N 0 0 448.349 5.401 40 0 IKABRN COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 ZINC000409384417 557092074 /nfs/dbraw/zinc/09/20/74/557092074.db2.gz BBKHSEKNAKGKGE-UHFFFAOYSA-N 0 0 433.455 5.210 40 0 IKABRN Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408656827 557092181 /nfs/dbraw/zinc/09/21/81/557092181.db2.gz MLGVIFGJOQCYSG-ITYMFSOSSA-N 0 0 448.349 5.401 40 0 IKABRN CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409377224 557092780 /nfs/dbraw/zinc/09/27/80/557092780.db2.gz FVYREPCQUBLLJO-UHFFFAOYSA-N 0 0 434.536 5.340 40 0 IKABRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1C ZINC000408664262 557093511 /nfs/dbraw/zinc/09/35/11/557093511.db2.gz SNBYQNJQOCVYOG-PJYWLYPCSA-N 0 0 448.349 5.401 40 0 IKABRN CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000408667680 557094301 /nfs/dbraw/zinc/09/43/01/557094301.db2.gz JISYWDKNOJZAPB-UHFFFAOYSA-N 0 0 444.918 5.913 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 ZINC000408667880 557094310 /nfs/dbraw/zinc/09/43/10/557094310.db2.gz QMYQHELLZCTZSC-GOSISDBHSA-N 0 0 433.935 5.624 40 0 IKABRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c(C)c1 ZINC000408668217 557094333 /nfs/dbraw/zinc/09/43/33/557094333.db2.gz VUKOSAZWBNULNH-PJYWLYPCSA-N 0 0 448.349 5.401 40 0 IKABRN Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408667553 557094377 /nfs/dbraw/zinc/09/43/77/557094377.db2.gz VROAYMIMWGCRKM-SKGAXEKPSA-N 0 0 434.322 5.093 40 0 IKABRN O=C(Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Br)cc1 ZINC000408668279 557094384 /nfs/dbraw/zinc/09/43/84/557094384.db2.gz DHBOCAUUFGDZHA-UHFFFAOYSA-N 0 0 429.701 5.607 40 0 IKABRN Cc1ccc(NC(=O)c2cccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)cc1C ZINC000408668298 557094391 /nfs/dbraw/zinc/09/43/91/557094391.db2.gz DOKDMJZQXGVOHU-UHFFFAOYSA-N 0 0 439.298 5.663 40 0 IKABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 ZINC000408659802 557095120 /nfs/dbraw/zinc/09/51/20/557095120.db2.gz PMJWNCIKQQAKQK-SKGAXEKPSA-N 0 0 434.322 5.093 40 0 IKABRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000409391067 557095763 /nfs/dbraw/zinc/09/57/63/557095763.db2.gz XSCKSGPGAKRBMC-UHFFFAOYSA-N 0 0 434.348 5.498 40 0 IKABRN CCc1ccccc1NC(=O)c1ccccc1N1C(=O)c2ccc(Br)cc2C1=O ZINC000408670168 557096163 /nfs/dbraw/zinc/09/61/63/557096163.db2.gz IHALNOFGTCDJEJ-UHFFFAOYSA-N 0 0 449.304 5.064 40 0 IKABRN Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)c3ccc(Br)cc3C2=O)c1 ZINC000408673377 557096498 /nfs/dbraw/zinc/09/64/98/557096498.db2.gz RVDIOGKXSAIDHG-UHFFFAOYSA-N 0 0 449.304 5.119 40 0 IKABRN CCc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408671561 557096523 /nfs/dbraw/zinc/09/65/23/557096523.db2.gz ZCYYRQRECRMKTM-PJYWLYPCSA-N 0 0 448.349 5.347 40 0 IKABRN Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000408671662 557096565 /nfs/dbraw/zinc/09/65/65/557096565.db2.gz SYODVORGTWCVON-UHFFFAOYSA-N 0 0 440.293 5.345 40 0 IKABRN O=C(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 ZINC000408673444 557096776 /nfs/dbraw/zinc/09/67/76/557096776.db2.gz SFKQMKYCIVBLCO-UHFFFAOYSA-N 0 0 429.701 5.607 40 0 IKABRN CCc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1 ZINC000408673662 557096833 /nfs/dbraw/zinc/09/68/33/557096833.db2.gz XKPJFKUGTNEXDC-OAQYLSRUSA-N 0 0 427.544 5.533 40 0 IKABRN Cc1cccc(NC(=O)c2ccc(N3C(=O)c4ccc(Br)cc4C3=O)cc2)c1C ZINC000408673742 557096864 /nfs/dbraw/zinc/09/68/64/557096864.db2.gz UQCQVJCBYURSOG-UHFFFAOYSA-N 0 0 449.304 5.119 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408674753 557096867 /nfs/dbraw/zinc/09/68/67/557096867.db2.gz CCKCOBGKWQZZTQ-UHFFFAOYSA-N 0 0 438.405 5.455 40 0 IKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cccc2CC)cc1 ZINC000408677906 557097389 /nfs/dbraw/zinc/09/73/89/557097389.db2.gz SFYFWIACFRDCDB-UHFFFAOYSA-N 0 0 426.516 5.697 40 0 IKABRN CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000408677122 557097413 /nfs/dbraw/zinc/09/74/13/557097413.db2.gz ANNXIBOTXLRDGN-UHFFFAOYSA-N 0 0 446.981 5.505 40 0 IKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000408677836 557097467 /nfs/dbraw/zinc/09/74/67/557097467.db2.gz RWOBTLPESKAXFY-UHFFFAOYSA-N 0 0 448.906 5.488 40 0 IKABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000408677146 557097478 /nfs/dbraw/zinc/09/74/78/557097478.db2.gz AMDAGFQEQDJUKK-QGZVFWFLSA-N 0 0 428.381 5.209 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C(C)C ZINC000408678313 557097500 /nfs/dbraw/zinc/09/75/00/557097500.db2.gz FJTDQGOLPPEPCQ-UHFFFAOYSA-N 0 0 427.591 5.912 40 0 IKABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000408677140 557097534 /nfs/dbraw/zinc/09/75/34/557097534.db2.gz AMDAGFQEQDJUKK-KRWDZBQOSA-N 0 0 428.381 5.209 40 0 IKABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000408678925 557097844 /nfs/dbraw/zinc/09/78/44/557097844.db2.gz KMXUVCMSGGGPDO-QGZVFWFLSA-N 0 0 428.381 5.209 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408679373 557098020 /nfs/dbraw/zinc/09/80/20/557098020.db2.gz WFSOUWVINDGVCY-UHFFFAOYSA-N 0 0 439.298 5.743 40 0 IKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000408679321 557098033 /nfs/dbraw/zinc/09/80/33/557098033.db2.gz VXAVZUOEAIEUFT-UHFFFAOYSA-N 0 0 448.906 5.488 40 0 IKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000408680573 557098441 /nfs/dbraw/zinc/09/84/41/557098441.db2.gz NQKFAPBACVVUSE-GOSISDBHSA-N 0 0 432.800 5.854 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000408680031 557098481 /nfs/dbraw/zinc/09/84/81/557098481.db2.gz XWSRUPZHUZXWOR-UHFFFAOYSA-N 0 0 439.298 5.743 40 0 IKABRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C(=O)[C@@H]2C1 ZINC000408686336 557099817 /nfs/dbraw/zinc/09/98/17/557099817.db2.gz SFGYOCLOWICVSP-DLBZAZTESA-N 0 0 429.303 5.091 40 0 IKABRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4Cl)cc3)C(=O)[C@@H]2C1 ZINC000408683034 557100016 /nfs/dbraw/zinc/10/00/16/557100016.db2.gz MGNPGGSOORPMOA-IAGOWNOFSA-N 0 0 429.303 5.091 40 0 IKABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3Cl)C(=O)[C@@H]2C1 ZINC000408682638 557100130 /nfs/dbraw/zinc/10/01/30/557100130.db2.gz KZJGZDSFVJVGMO-GOEBONIOSA-N 0 0 429.303 5.091 40 0 IKABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3Cl)C(=O)[C@H]2C1 ZINC000408682715 557100159 /nfs/dbraw/zinc/10/01/59/557100159.db2.gz LGNDWFRIJGFZPW-ZFWWWQNUSA-N 0 0 429.303 5.091 40 0 IKABRN CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000408682543 557100167 /nfs/dbraw/zinc/10/01/67/557100167.db2.gz YWMPWXAVWHRHDD-UHFFFAOYSA-N 0 0 444.553 5.379 40 0 IKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408684729 557100391 /nfs/dbraw/zinc/10/03/91/557100391.db2.gz NVIXAHLFQCDKRR-CYBMUJFWSA-N 0 0 439.298 5.884 40 0 IKABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000408683338 557100396 /nfs/dbraw/zinc/10/03/96/557100396.db2.gz MQPUAWNQMYUNRD-HOCLYGCPSA-N 0 0 429.303 5.091 40 0 IKABRN O=C(Nc1cccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1)c1ccccc1 ZINC000408683959 557100487 /nfs/dbraw/zinc/10/04/87/557100487.db2.gz NVTAUHNGCCJDNZ-ACKJMCFBSA-N 0 0 446.506 5.388 40 0 IKABRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Cl)c(Cl)c4)c3)C(=O)[C@H]2C1 ZINC000408684857 557100745 /nfs/dbraw/zinc/10/07/45/557100745.db2.gz PNOOMPVJQKLQMO-IRXDYDNUSA-N 0 0 429.303 5.091 40 0 IKABRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Cl)cc4Cl)c3)C(=O)[C@H]2C1 ZINC000408689347 557102485 /nfs/dbraw/zinc/10/24/85/557102485.db2.gz YORNNFQWTNITGE-IRXDYDNUSA-N 0 0 429.303 5.091 40 0 IKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)cc1C ZINC000408696122 557102547 /nfs/dbraw/zinc/10/25/47/557102547.db2.gz WLQXTSRUCCEJJL-UHFFFAOYSA-N 0 0 430.939 6.074 40 0 IKABRN COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)cc1 ZINC000408696222 557102552 /nfs/dbraw/zinc/10/25/52/557102552.db2.gz XXLNKROZPNFHIO-UHFFFAOYSA-N 0 0 432.911 5.465 40 0 IKABRN O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 ZINC000408696110 557102600 /nfs/dbraw/zinc/10/26/00/557102600.db2.gz WFNDRVKITRIAET-UHFFFAOYSA-N 0 0 437.272 5.088 40 0 IKABRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Cl)cc4Cl)c3)C(=O)[C@H]2C1 ZINC000408689348 557102620 /nfs/dbraw/zinc/10/26/20/557102620.db2.gz YORNNFQWTNITGE-SJORKVTESA-N 0 0 429.303 5.091 40 0 IKABRN O=C(CSCc1ccccc1Br)Nc1ccc(Br)cc1F ZINC000409309367 557103177 /nfs/dbraw/zinc/10/31/77/557103177.db2.gz GDVJATWDZLCLFJ-UHFFFAOYSA-N 0 0 433.140 5.223 40 0 IKABRN Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000408692255 557103220 /nfs/dbraw/zinc/10/32/20/557103220.db2.gz IOWDXPLREQVHQV-UHFFFAOYSA-N 0 0 429.351 5.612 40 0 IKABRN Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000408692353 557103375 /nfs/dbraw/zinc/10/33/75/557103375.db2.gz KPCBHHYNQUJIQI-UHFFFAOYSA-N 0 0 437.330 5.480 40 0 IKABRN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)cc1Cl ZINC000408692359 557103427 /nfs/dbraw/zinc/10/34/27/557103427.db2.gz KRQSSWZEEFJQPW-UHFFFAOYSA-N 0 0 437.330 5.480 40 0 IKABRN Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c(C)c1 ZINC000409410478 557103576 /nfs/dbraw/zinc/10/35/76/557103576.db2.gz NFCJRBMCTMSAFP-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cc(Cl)ccc2C)c1 ZINC000408693592 557104119 /nfs/dbraw/zinc/10/41/19/557104119.db2.gz ANWXNUSONSFCLD-UHFFFAOYSA-N 0 0 430.939 6.074 40 0 IKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccc(F)cc2)c1 ZINC000408693593 557104134 /nfs/dbraw/zinc/10/41/34/557104134.db2.gz AOMFXTPYWSPSCZ-UHFFFAOYSA-N 0 0 441.293 5.941 40 0 IKABRN Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(Br)cc2)c1 ZINC000408692975 557104141 /nfs/dbraw/zinc/10/41/41/557104141.db2.gz ZWOXIFRGUGMAOO-UHFFFAOYSA-N 0 0 439.357 5.068 40 0 IKABRN CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000408693970 557104368 /nfs/dbraw/zinc/10/43/68/557104368.db2.gz GHZCEAQULBDEOO-UHFFFAOYSA-N 0 0 446.938 5.856 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(C)C)cc2)c1 ZINC000408693906 557104411 /nfs/dbraw/zinc/10/44/11/557104411.db2.gz AZWZWLPPEWLVHO-UHFFFAOYSA-N 0 0 440.590 5.549 40 0 IKABRN O=C(CSCc1ccc(Br)cc1)Nc1ccc(Br)cc1F ZINC000409411705 557104407 /nfs/dbraw/zinc/10/44/07/557104407.db2.gz KGKQEGCWTXVBKG-UHFFFAOYSA-N 0 0 433.140 5.223 40 0 IKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408693733 557104441 /nfs/dbraw/zinc/10/44/41/557104441.db2.gz CQOXCPRSEKIKMO-UHFFFAOYSA-N 0 0 446.938 5.856 40 0 IKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000408693771 557104470 /nfs/dbraw/zinc/10/44/70/557104470.db2.gz DFWSJXYMQSDXIT-UHFFFAOYSA-N 0 0 437.330 6.110 40 0 IKABRN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000408694005 557104713 /nfs/dbraw/zinc/10/47/13/557104713.db2.gz GYPCKMRGQZNKCA-UHFFFAOYSA-N 0 0 432.911 5.547 40 0 IKABRN COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)cc1 ZINC000408694301 557104744 /nfs/dbraw/zinc/10/47/44/557104744.db2.gz IPNQDHZJLYTWKK-UHFFFAOYSA-N 0 0 432.911 5.465 40 0 IKABRN CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000409411941 557104794 /nfs/dbraw/zinc/10/47/94/557104794.db2.gz NZDHNMCGNGMUBJ-UHFFFAOYSA-N 0 0 432.954 5.115 40 0 IKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(C)ccc3C)n2)c(C)c1 ZINC000408694315 557104787 /nfs/dbraw/zinc/10/47/87/557104787.db2.gz IVCKRMRNGSREKA-UHFFFAOYSA-N 0 0 430.939 6.074 40 0 IKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000408694372 557105009 /nfs/dbraw/zinc/10/50/09/557105009.db2.gz DOYSCTHMBJMQFF-UZUQRXQVSA-N 0 0 436.939 5.627 40 0 IKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408694344 557105038 /nfs/dbraw/zinc/10/50/38/557105038.db2.gz JHDPZQICWBNNNK-UHFFFAOYSA-N 0 0 436.874 5.378 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0 447.534 5.402 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1Br ZINC000024031014 557132623 /nfs/dbraw/zinc/13/26/23/557132623.db2.gz POFUCFSYACGVJQ-UHFFFAOYSA-N 0 0 431.311 5.024 40 0 IKABRN CCn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2cc(C)ccc21 ZINC000408713415 557132633 /nfs/dbraw/zinc/13/26/33/557132633.db2.gz XQEVZJYIEBJMNK-UHFFFAOYSA-N 0 0 432.907 6.028 40 0 IKABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)c(C)c1 ZINC000102768362 557132669 /nfs/dbraw/zinc/13/26/69/557132669.db2.gz SEPGHCCRPAHPBO-XPWALMASSA-N 0 0 432.907 5.008 40 0 IKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000408714286 557132938 /nfs/dbraw/zinc/13/29/38/557132938.db2.gz NAYXIUXKGFMSRS-UHFFFAOYSA-N 0 0 435.568 5.369 40 0 IKABRN Cc1ccc(NCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1Cl ZINC000408719011 557133253 /nfs/dbraw/zinc/13/32/53/557133253.db2.gz FSVMOTIZWPLTHC-LZYBPNLTSA-N 0 0 437.746 5.517 40 0 IKABRN Cc1cc(C)cc(NC2=C[C@H](c3ccc(C(C)(C)C)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000408723789 557133596 /nfs/dbraw/zinc/13/35/96/557133596.db2.gz NJJZXEPZESBVGZ-MUUNZHRXSA-N 0 0 438.615 7.302 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn2-c2ccc(C)cc2)cc1 ZINC000408723921 557133616 /nfs/dbraw/zinc/13/36/16/557133616.db2.gz AKQZKRMPMSYCED-UHFFFAOYSA-N 0 0 435.449 6.427 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1Cl ZINC000009059056 557134558 /nfs/dbraw/zinc/13/45/58/557134558.db2.gz LZSGBDDYORZVID-UHFFFAOYSA-N 0 0 446.963 5.898 40 0 IKABRN Cc1ccc2oc(-c3cccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)c3)nc2c1 ZINC000000679790 557134575 /nfs/dbraw/zinc/13/45/75/557134575.db2.gz PDNRMSRZWWVJQE-UHFFFAOYSA-N 0 0 429.867 5.290 40 0 IKABRN Cc1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3cccc(C)c3)n2)cc1 ZINC000408724989 557134791 /nfs/dbraw/zinc/13/47/91/557134791.db2.gz NJYLNIFXDYVHMX-UHFFFAOYSA-N 0 0 443.550 7.075 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)cc2-c2cccc3ccccc32)cc1 ZINC000408725065 557134826 /nfs/dbraw/zinc/13/48/26/557134826.db2.gz NWAJOKGMQFOQGS-UHFFFAOYSA-N 0 0 437.930 6.907 40 0 IKABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)c1C ZINC000409353352 557135005 /nfs/dbraw/zinc/13/50/05/557135005.db2.gz JKQQXZBUOJQJLW-WSDLNYQXSA-N 0 0 447.560 5.514 40 0 IKABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 ZINC000021123658 557135156 /nfs/dbraw/zinc/13/51/56/557135156.db2.gz ZGOPZGTUDZPZMC-UHFFFAOYSA-N 0 0 449.982 5.440 40 0 IKABRN CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000021123794 557135589 /nfs/dbraw/zinc/13/55/89/557135589.db2.gz VGTOGWWTBUCSJX-CSKARUKUSA-N 0 0 444.314 6.471 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000021124516 557135894 /nfs/dbraw/zinc/13/58/94/557135894.db2.gz OPOPUYKVJXZSSJ-PKNBQFBNSA-N 0 0 447.907 5.418 40 0 IKABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 ZINC000408722828 557136404 /nfs/dbraw/zinc/13/64/04/557136404.db2.gz GONQSHFACSVDIH-HVJZFTSCSA-N 0 0 437.539 5.220 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000409355684 557136448 /nfs/dbraw/zinc/13/64/48/557136448.db2.gz DFGHCFJWBGGKFR-UHFFFAOYSA-N 0 0 436.577 5.491 40 0 IKABRN CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c2ccccc21 ZINC000409354298 557136590 /nfs/dbraw/zinc/13/65/90/557136590.db2.gz BRIMJUCETTZDOD-XKZIYDEJSA-N 0 0 447.560 5.343 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2OCC)C1=O ZINC000409356213 557136822 /nfs/dbraw/zinc/13/68/22/557136822.db2.gz FSRARXOGOZJENA-WSDLNYQXSA-N 0 0 425.594 5.999 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(F)F ZINC000409358340 557136827 /nfs/dbraw/zinc/13/68/27/557136827.db2.gz LLHYBCQNZJHGQK-MHWRWJLKSA-N 0 0 425.840 5.581 40 0 IKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000003190504 557136889 /nfs/dbraw/zinc/13/68/89/557136889.db2.gz ZPMFOXYDBIWTPA-QUESLEJDSA-N 0 0 429.519 5.801 40 0 IKABRN CCc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000409357409 557137110 /nfs/dbraw/zinc/13/71/10/557137110.db2.gz HYDXPEUHBRWJOX-UHFFFAOYSA-N 0 0 436.577 5.238 40 0 IKABRN CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000409358001 557137133 /nfs/dbraw/zinc/13/71/33/557137133.db2.gz SNTGFJHOOJXILC-STZFKDTASA-N 0 0 438.549 5.157 40 0 IKABRN CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000409358302 557137147 /nfs/dbraw/zinc/13/71/47/557137147.db2.gz DQLXMBZADXKRSI-UHFFFAOYSA-N 0 0 440.638 5.387 40 0 IKABRN CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000409358885 557137393 /nfs/dbraw/zinc/13/73/93/557137393.db2.gz HNXJVPLHBLJSTJ-UHFFFAOYSA-N 0 0 447.029 5.424 40 0 IKABRN Cc1ccc(-c2nn3c(nc(-c4ccc(C)cc4)cc3C(F)(F)F)c2Br)cc1 ZINC000215881215 557137318 /nfs/dbraw/zinc/13/73/18/557137318.db2.gz GHQQSVYYEOTJTF-UHFFFAOYSA-N 0 0 446.270 6.461 40 0 IKABRN Cc1ccc(-c2nn3c(nc(-c4ccccc4)cc3-c3ccccc3)c2Br)cc1 ZINC000215880602 557137339 /nfs/dbraw/zinc/13/73/39/557137339.db2.gz GHHUIWJNZBMUCP-UHFFFAOYSA-N 0 0 440.344 6.801 40 0 IKABRN Cc1ccc(-c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)cc1 ZINC000215881079 557137380 /nfs/dbraw/zinc/13/73/80/557137380.db2.gz MVOXMTUPFQFCMR-UHFFFAOYSA-N 0 0 432.243 6.153 40 0 IKABRN Cc1cccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2ccc(-c3ccccc3)cc2)c1 ZINC000408726721 557137474 /nfs/dbraw/zinc/13/74/74/557137474.db2.gz SXWLPVZEZGCNMZ-UHFFFAOYSA-N 0 0 430.511 6.162 40 0 IKABRN CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000409360914 557137578 /nfs/dbraw/zinc/13/75/78/557137578.db2.gz NZEOHHVFXRETIR-UHFFFAOYSA-N 0 0 444.601 5.218 40 0 IKABRN CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000409363664 557137591 /nfs/dbraw/zinc/13/75/91/557137591.db2.gz VGXMMHCAMYHNBK-UHFFFAOYSA-N 0 0 444.601 5.218 40 0 IKABRN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000003457147 557137743 /nfs/dbraw/zinc/13/77/43/557137743.db2.gz SLWCUHBOOSXZLL-MRXNPFEDSA-N 0 0 426.973 5.081 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn2-c2cccc(C)c2)cc1 ZINC000408727242 557137707 /nfs/dbraw/zinc/13/77/07/557137707.db2.gz VIYCFUJTBGGPHE-UHFFFAOYSA-N 0 0 435.449 6.427 40 0 IKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(C(C)C)cc2)cc1-c1cccc2ccccc21 ZINC000408726795 557137730 /nfs/dbraw/zinc/13/77/30/557137730.db2.gz UYPHJYSKDXKKJC-UHFFFAOYSA-N 0 0 445.566 7.377 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)nn2-c2ccccc2)cc1 ZINC000408727333 557137754 /nfs/dbraw/zinc/13/77/54/557137754.db2.gz VZHBFUSUCHOBAX-UHFFFAOYSA-N 0 0 432.321 5.863 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(Cl)cc2)c1 ZINC000003483369 557138091 /nfs/dbraw/zinc/13/80/91/557138091.db2.gz FYUCJZGTQFURCH-UHFFFAOYSA-N 0 0 426.973 5.001 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)cc2-c2ccc3ccccc3c2)cc1 ZINC000408725439 557138130 /nfs/dbraw/zinc/13/81/30/557138130.db2.gz OZRKLZNHEGQONF-UHFFFAOYSA-N 0 0 437.930 6.907 40 0 IKABRN Cc1ccc(C)c(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)c1 ZINC000409369937 557138150 /nfs/dbraw/zinc/13/81/50/557138150.db2.gz HXRSOGSUTRTTIM-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN O=[N+]([O-])/C=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409369282 557138178 /nfs/dbraw/zinc/13/81/78/557138178.db2.gz JTYGKQAYVJXLIH-AATRIKPKSA-N 0 0 447.510 5.691 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)c1 ZINC000409375373 557138581 /nfs/dbraw/zinc/13/85/81/557138581.db2.gz JTQWCUGSCXGKNJ-UHFFFAOYSA-N 0 0 449.765 6.585 40 0 IKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1C ZINC000216031264 557138549 /nfs/dbraw/zinc/13/85/49/557138549.db2.gz XFRWJCWLHDFLJR-UHFFFAOYSA-N 0 0 438.336 5.303 40 0 IKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1C ZINC000216032020 557138657 /nfs/dbraw/zinc/13/86/57/557138657.db2.gz QKBJYLVJKRBCIE-UHFFFAOYSA-N 0 0 438.336 5.303 40 0 IKABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)c1 ZINC000216033062 557138682 /nfs/dbraw/zinc/13/86/82/557138682.db2.gz KHWANOAWUUEYTR-UHFFFAOYSA-N 0 0 438.336 5.303 40 0 IKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409376693 557138858 /nfs/dbraw/zinc/13/88/58/557138858.db2.gz CPXPWTKTFWYGGZ-UHFFFAOYSA-N 0 0 431.319 5.632 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)c1ccc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2c1 ZINC000408730419 557138935 /nfs/dbraw/zinc/13/89/35/557138935.db2.gz GEYWCJAHVNGIAX-UHFFFAOYSA-N 0 0 435.310 6.651 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409376930 557139208 /nfs/dbraw/zinc/13/92/08/557139208.db2.gz CCFAZFYBSNABMP-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1Br ZINC000103718541 557139295 /nfs/dbraw/zinc/13/92/95/557139295.db2.gz GQKJWQYBJLXTDC-NSHDSACASA-N 0 0 442.140 5.056 40 0 IKABRN O=C1C(=Nc2cccc3ccccc32)C[C@H](c2ccc(F)cc2)N1c1cccc2ccccc21 ZINC000103678509 557139300 /nfs/dbraw/zinc/13/93/00/557139300.db2.gz YWTQCIAYMSXOEZ-GDLZYMKVSA-N 0 0 444.509 7.216 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)c1 ZINC000024169687 557139309 /nfs/dbraw/zinc/13/93/09/557139309.db2.gz OFRHLAQFSURWOP-UHFFFAOYSA-N 0 0 431.542 5.967 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1 ZINC000408731537 557139395 /nfs/dbraw/zinc/13/93/95/557139395.db2.gz LNPYTCHUTNMQNR-UHFFFAOYSA-N 0 0 428.535 7.372 40 0 IKABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O ZINC000103718984 557139322 /nfs/dbraw/zinc/13/93/22/557139322.db2.gz RTNRTOKWBMNGJX-NSHDSACASA-N 0 0 442.140 5.056 40 0 IKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000408732155 557139713 /nfs/dbraw/zinc/13/97/13/557139713.db2.gz SVDQIEKICFZSIO-DQXSBBCTSA-N 0 0 429.519 5.585 40 0 IKABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC ZINC000409376956 557139708 /nfs/dbraw/zinc/13/97/08/557139708.db2.gz CQNQXOSIRRCEBT-VQIMKDEXSA-N 0 0 449.334 5.272 40 0 IKABRN Cc1ccc([C@H]2CC(=Nc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000103764444 557139984 /nfs/dbraw/zinc/13/99/84/557139984.db2.gz HHLNZTCUJCWUDB-XMMPIXPASA-N 0 0 437.370 7.003 40 0 IKABRN O=C(COc1ccc(CNc2ccc(F)cc2)cc1Br)Nc1ccc(F)cc1 ZINC000409378970 557140207 /nfs/dbraw/zinc/14/02/07/557140207.db2.gz SZQKUYFQYVBJAX-UHFFFAOYSA-N 0 0 447.279 5.357 40 0 IKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(C)cc2C)cc1 ZINC000409381449 557140238 /nfs/dbraw/zinc/14/02/38/557140238.db2.gz MJDPFMOUWZBNEC-UHFFFAOYSA-N 0 0 434.388 6.314 40 0 IKABRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409378763 557140310 /nfs/dbraw/zinc/14/03/10/557140310.db2.gz RJCLRPKDTZZGLE-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409379753 557140588 /nfs/dbraw/zinc/14/05/88/557140588.db2.gz ZDFICXSIIJFYLZ-UHFFFAOYSA-N 0 0 445.346 6.022 40 0 IKABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccc(C)cc1 ZINC000216233733 557140719 /nfs/dbraw/zinc/14/07/19/557140719.db2.gz HACFTXIFZWPKDG-QFIPXVFZSA-N 0 0 449.016 5.094 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000409380553 557140708 /nfs/dbraw/zinc/14/07/08/557140708.db2.gz GUKHEYKTUAZIHM-UHFFFAOYSA-N 0 0 425.553 7.332 40 0 IKABRN 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ZINC000409411013 557145248 /nfs/dbraw/zinc/14/52/48/557145248.db2.gz SHGGAFIYMVNQNQ-UHFFFAOYSA-N 0 0 436.577 5.481 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1C ZINC000409410539 557145358 /nfs/dbraw/zinc/14/53/58/557145358.db2.gz NSAMUKBAIRMDFC-UHFFFAOYSA-N 0 0 448.466 5.375 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000409409710 557145419 /nfs/dbraw/zinc/14/54/19/557145419.db2.gz QHZKGKLAGSCUJH-UHFFFAOYSA-N 0 0 436.577 5.699 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C)c1ccc(C)cc1 ZINC000216414456 557145774 /nfs/dbraw/zinc/14/57/74/557145774.db2.gz JOXKJAVBMFQIAO-HSZRJFAPSA-N 0 0 436.577 5.294 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c(C)c1 ZINC000216423233 557146095 /nfs/dbraw/zinc/14/60/95/557146095.db2.gz GYMACIIKGASZEU-SFHVURJKSA-N 0 0 449.016 5.013 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000409411969 557146097 /nfs/dbraw/zinc/14/60/97/557146097.db2.gz 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CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ccc(OC)c(OC)c3)ccc21 ZINC000216466964 557147420 /nfs/dbraw/zinc/14/74/20/557147420.db2.gz GVPTXUILEJSFNN-MRXNPFEDSA-N 0 0 434.561 5.951 40 0 IKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000216478661 557147440 /nfs/dbraw/zinc/14/74/40/557147440.db2.gz BAUKHIZHKFPYGN-QHCPKHFHSA-N 0 0 428.488 5.159 40 0 IKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000216494347 557147856 /nfs/dbraw/zinc/14/78/56/557147856.db2.gz XMCCFYJLUWJGNV-MRXNPFEDSA-N 0 0 426.409 5.736 40 0 IKABRN CCc1ccc2[nH]c(=O)c(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCCC3)cc2c1 ZINC000006197680 557149308 /nfs/dbraw/zinc/14/93/08/557149308.db2.gz DCTYMGKOXLQYLW-IBGZPJMESA-N 0 0 447.648 5.861 40 0 IKABRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000021576343 557151717 /nfs/dbraw/zinc/15/17/17/557151717.db2.gz JVONMJNPIZGTTG-UHFFFAOYSA-N 0 0 433.310 6.635 40 0 IKABRN Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)c(Br)c1 ZINC000021576474 557151725 /nfs/dbraw/zinc/15/17/25/557151725.db2.gz HWQIXARSLAFROV-UHFFFAOYSA-N 0 0 435.337 5.213 40 0 IKABRN O=C(NCc1nc(-c2cccs2)no1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000024577383 557151863 /nfs/dbraw/zinc/15/18/63/557151863.db2.gz SRJRXVKSISHBCI-UHFFFAOYSA-N 0 0 441.965 5.674 40 0 IKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000021578556 557152195 /nfs/dbraw/zinc/15/21/95/557152195.db2.gz MLDDQPCIZVKPKN-UHFFFAOYSA-N 0 0 446.375 6.368 40 0 IKABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000021578004 557152199 /nfs/dbraw/zinc/15/21/99/557152199.db2.gz SPJZWTUWSVRZNV-UHFFFAOYSA-N 0 0 434.367 5.003 40 0 IKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 ZINC000021578807 557153008 /nfs/dbraw/zinc/15/30/08/557153008.db2.gz IGAUFMRFJMKRTD-LJQANCHMSA-N 0 0 428.532 6.850 40 0 IKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000021578803 557153027 /nfs/dbraw/zinc/15/30/27/557153027.db2.gz WWPBMHYZWMGPNE-UHFFFAOYSA-N 0 0 428.532 6.707 40 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557153904 /nfs/dbraw/zinc/15/39/04/557153904.db2.gz PUANZXUSXGOZHY-UHFFFAOYSA-N 0 0 433.511 6.009 40 0 IKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000021580639 557153942 /nfs/dbraw/zinc/15/39/42/557153942.db2.gz USHMYUNKFMGYPY-DTQAZKPQSA-N 0 0 435.483 6.150 40 0 IKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1c(C)cc(C)cc1Cl ZINC000021580827 557154365 /nfs/dbraw/zinc/15/43/65/557154365.db2.gz ZKQHUCFJKIIBHK-UHFFFAOYSA-N 0 0 435.911 5.526 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Br)cc1F ZINC000021595436 557154612 /nfs/dbraw/zinc/15/46/12/557154612.db2.gz BLYZMGHCNZCBNJ-DHZHZOJOSA-N 0 0 445.313 5.375 40 0 IKABRN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)ccc1Br ZINC000021595257 557154682 /nfs/dbraw/zinc/15/46/82/557154682.db2.gz CJLYXVOYSHCNNB-UHFFFAOYSA-N 0 0 427.136 5.316 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)cc4OC)cc3)nc2c1 ZINC000021595873 557155545 /nfs/dbraw/zinc/15/55/45/557155545.db2.gz HFMAXYWBTQVZSP-INIZCTEOSA-N 0 0 430.504 6.278 40 0 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441.716 5.397 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000026124623 557235547 /nfs/dbraw/zinc/23/55/47/557235547.db2.gz PBGUOGVBLMVUCQ-UHFFFAOYSA-N 0 0 441.318 5.362 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C ZINC000026124474 557235561 /nfs/dbraw/zinc/23/55/61/557235561.db2.gz BBVQWWAGYPHNOY-UHFFFAOYSA-N 0 0 427.291 5.297 40 0 IKABRN CCOc1ccc(-n2nc3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 ZINC000026124078 557235575 /nfs/dbraw/zinc/23/55/75/557235575.db2.gz ANPNSOBLBLHAJL-UHFFFAOYSA-N 0 0 448.935 5.940 40 0 IKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000026124254 557235588 /nfs/dbraw/zinc/23/55/88/557235588.db2.gz KLWHCHMWWLBTEN-UHFFFAOYSA-N 0 0 427.291 5.053 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1C ZINC000219285609 557235665 /nfs/dbraw/zinc/23/56/65/557235665.db2.gz USSCZPZYUMTBKC-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000026255326 557238068 /nfs/dbraw/zinc/23/80/68/557238068.db2.gz XUGISPSHIFXEHZ-GPJXBBLFSA-N 0 0 428.701 7.960 40 0 in-vitro IKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000219344038 557238420 /nfs/dbraw/zinc/23/84/20/557238420.db2.gz JYLKZXFSKKYQEA-FQEVSTJZSA-N 0 0 435.911 5.359 40 0 IKABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000057312974 557238654 /nfs/dbraw/zinc/23/86/54/557238654.db2.gz BLHJBOZILCNUSF-UHFFFAOYSA-N 0 0 429.501 5.120 40 0 IKABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 ZINC000057316842 557239620 /nfs/dbraw/zinc/23/96/20/557239620.db2.gz UPUOUYLLOGNBFS-UHFFFAOYSA-N 0 0 449.982 5.440 40 0 IKABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nn12 ZINC000057316916 557240245 /nfs/dbraw/zinc/24/02/45/557240245.db2.gz KCQVEENNSITHJK-UHFFFAOYSA-N 0 0 449.923 5.581 40 0 IKABRN CCCCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057317078 557240515 /nfs/dbraw/zinc/24/05/15/557240515.db2.gz BMVOXWNIXCQMSU-UHFFFAOYSA-N 0 0 428.326 5.818 40 0 IKABRN CC(C)c1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057317059 557240524 /nfs/dbraw/zinc/24/05/24/557240524.db2.gz HFSQCUGFYGBBRS-UHFFFAOYSA-N 0 0 428.326 5.528 40 0 IKABRN Cc1cc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)ccc1Cl ZINC000057317024 557240554 /nfs/dbraw/zinc/24/05/54/557240554.db2.gz RYEBXDZZRZTYLF-UHFFFAOYSA-N 0 0 434.717 5.366 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317089 557240809 /nfs/dbraw/zinc/24/08/09/557240809.db2.gz OCJBAFHRMLXRNX-NTCAYCPXSA-N 0 0 448.316 6.299 40 0 IKABRN COc1ccc(OC)c(-c2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C)c1 ZINC000408826460 557242927 /nfs/dbraw/zinc/24/29/27/557242927.db2.gz JKFSWTRCWYQAPQ-UHFFFAOYSA-N 0 0 430.529 6.055 40 0 IKABRN CC(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)n1 ZINC000100152714 557243767 /nfs/dbraw/zinc/24/37/67/557243767.db2.gz PINXLDWUMIWHGJ-HBMCJLEFSA-N 0 0 436.600 5.011 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000057313524 557244639 /nfs/dbraw/zinc/24/46/39/557244639.db2.gz BGMHXIDWGIIWMD-POWXATIXSA-N 0 0 445.588 5.852 40 0 IKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1Cl ZINC000057313355 557244652 /nfs/dbraw/zinc/24/46/52/557244652.db2.gz NGNXFOWWTSWHPX-UHFFFAOYSA-N 0 0 443.012 6.633 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000057313769 557244856 /nfs/dbraw/zinc/24/48/56/557244856.db2.gz LZEPPCLRNBMPIB-DHZHZOJOSA-N 0 0 442.437 5.454 40 0 IKABRN Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(C)c1I ZINC000057313841 557244868 /nfs/dbraw/zinc/24/48/68/557244868.db2.gz GXVXUVXUPVVDNI-UHFFFAOYSA-N 0 0 441.312 5.679 40 0 IKABRN CCCOc1ccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cc1 ZINC000057313857 557244908 /nfs/dbraw/zinc/24/49/08/557244908.db2.gz NXZFKHSSPVXGGU-UHFFFAOYSA-N 0 0 444.984 6.124 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000057313786 557244981 /nfs/dbraw/zinc/24/49/81/557244981.db2.gz FLRNXAYQWWLFQB-UHFFFAOYSA-N 0 0 428.985 6.557 40 0 IKABRN COc1cc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c(OC)cc1Cl ZINC000057314017 557245137 /nfs/dbraw/zinc/24/51/37/557245137.db2.gz VUFBFCSWYIXODA-PKNBQFBNSA-N 0 0 442.924 5.144 40 0 IKABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)C=Cc1ccc(C(C)C)cc1 ZINC000057313887 557245149 /nfs/dbraw/zinc/24/51/49/557245149.db2.gz FSLSNFJDLRDKCC-UKTHLTGXSA-N 0 0 447.560 5.490 40 0 IKABRN CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000057314136 557245188 /nfs/dbraw/zinc/24/51/88/557245188.db2.gz UUSIGNTWNXLHGS-SAPNQHFASA-N 0 0 434.499 5.895 40 0 IKABRN O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000012495361 557245267 /nfs/dbraw/zinc/24/52/67/557245267.db2.gz VCUAZPLKDOQJNF-UHFFFAOYSA-N 0 0 438.561 5.536 40 0 IKABRN CCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2s1 ZINC000057315684 557245427 /nfs/dbraw/zinc/24/54/27/557245427.db2.gz YBOLWPJLWIGAKG-UHFFFAOYSA-N 0 0 438.734 5.313 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000057315634 557245496 /nfs/dbraw/zinc/24/54/96/557245496.db2.gz VPEOPSQALQTRCR-UHFFFAOYSA-N 0 0 448.529 6.399 40 0 IKABRN CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(OCC)cc1 ZINC000408828820 557245867 /nfs/dbraw/zinc/24/58/67/557245867.db2.gz MHBNNWULKQXASB-UHFFFAOYSA-N 0 0 445.382 6.176 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 ZINC000057316221 557246327 /nfs/dbraw/zinc/24/63/27/557246327.db2.gz XCKVAWFLHBMBJI-UHFFFAOYSA-N 0 0 434.330 5.202 40 0 IKABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc43)o2)CC1)c1cccc(Cl)c1 ZINC000100219450 557248714 /nfs/dbraw/zinc/24/87/14/557248714.db2.gz ZFOLHFIEIBUKNX-MAEOIBBWSA-N 0 0 446.938 5.642 40 0 IKABRN CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(C)c(C)c1 ZINC000408834508 557251666 /nfs/dbraw/zinc/25/16/66/557251666.db2.gz VEFBVXWTXCJTJW-UHFFFAOYSA-N 0 0 429.383 6.394 40 0 IKABRN COc1ccc2c(c1)[C@@H](NC(=O)CCCN1c3cccc4cccc(c34)C1=O)CC(C)(C)O2 ZINC000219472902 557252158 /nfs/dbraw/zinc/25/21/58/557252158.db2.gz GPTMNHYIVGHDGZ-NRFANRHFSA-N 0 0 444.531 5.007 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000219472718 557252169 /nfs/dbraw/zinc/25/21/69/557252169.db2.gz ILAKPFBDCMLTRZ-NRFANRHFSA-N 0 0 428.532 5.307 40 0 IKABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219468692 557252210 /nfs/dbraw/zinc/25/22/10/557252210.db2.gz IIWHZHGQQJSBAH-UHFFFAOYSA-N 0 0 434.495 5.450 40 0 IKABRN COc1ccc(OC)c(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C)c1 ZINC000408835403 557253183 /nfs/dbraw/zinc/25/31/83/557253183.db2.gz WUOZTTXTDBAZOU-UHFFFAOYSA-N 0 0 444.556 5.906 40 0 IKABRN Cc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccccc2)cc1C ZINC000408835716 557253636 /nfs/dbraw/zinc/25/36/36/557253636.db2.gz XVFRANIIDAAKHA-UHFFFAOYSA-N 0 0 442.628 7.249 40 0 IKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000057614025 557255208 /nfs/dbraw/zinc/25/52/08/557255208.db2.gz IXEDFURWVORQKJ-QFIPXVFZSA-N 0 0 426.008 5.871 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438.506 5.749 40 0 IKABRN CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214468 557341177 /nfs/dbraw/zinc/34/11/77/557341177.db2.gz JGGZGBVOVIXAOY-FQEVSTJZSA-N 0 0 425.529 5.317 40 0 IKABRN COc1ccc(Cn2cccc(NC(=O)Nc3ccccc3-c3ccccc3)c2=O)cc1 ZINC000013564748 557341174 /nfs/dbraw/zinc/34/11/74/557341174.db2.gz RPNGYZUGJASLTH-UHFFFAOYSA-N 0 0 425.488 5.216 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000222460866 557341253 /nfs/dbraw/zinc/34/12/53/557341253.db2.gz RSHZUZWGUCQEDD-QHCPKHFHSA-N 0 0 426.626 5.118 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222459677 557341344 /nfs/dbraw/zinc/34/13/44/557341344.db2.gz CFCDPCGXEJKCRZ-DEOSSOPVSA-N 0 0 440.653 5.177 40 0 IKABRN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214586 557341467 /nfs/dbraw/zinc/34/14/67/557341467.db2.gz DOSNFCLXQXIRPG-IBGZPJMESA-N 0 0 433.593 5.941 40 0 IKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072214734 557341561 /nfs/dbraw/zinc/34/15/61/557341561.db2.gz OTGBQBFXXPIHHS-OAQYLSRUSA-N 0 0 439.556 5.707 40 0 IKABRN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072214793 557341596 /nfs/dbraw/zinc/34/15/96/557341596.db2.gz UWWNCPCNRABGQH-FQEVSTJZSA-N 0 0 425.529 5.317 40 0 IKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072215078 557341695 /nfs/dbraw/zinc/34/16/95/557341695.db2.gz XAMHTKJNHKJHKI-UHFFFAOYSA-N 0 0 449.592 5.501 40 0 IKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 ZINC000072214962 557341703 /nfs/dbraw/zinc/34/17/03/557341703.db2.gz XNFLTTADWYOYHB-UHFFFAOYSA-N 0 0 435.565 5.111 40 0 IKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215167 557341712 /nfs/dbraw/zinc/34/17/12/557341712.db2.gz OEQHMZAPEUFVEV-IEBWSBKVSA-N 0 0 433.593 6.084 40 0 IKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214853 557341713 /nfs/dbraw/zinc/34/17/13/557341713.db2.gz IHNNTGQHWBSVLW-NRFANRHFSA-N 0 0 439.556 5.705 40 0 IKABRN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072214829 557341727 /nfs/dbraw/zinc/34/17/27/557341727.db2.gz JXPWNYHTPYJUEQ-OAQYLSRUSA-N 0 0 439.556 5.707 40 0 IKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072215067 557341737 /nfs/dbraw/zinc/34/17/37/557341737.db2.gz JBPHZLYIBAVFRA-LJQANCHMSA-N 0 0 433.593 6.085 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1)C1CC1 ZINC000072215317 557341976 /nfs/dbraw/zinc/34/19/76/557341976.db2.gz NUXFRYUTVVJNTE-NRFANRHFSA-N 0 0 437.540 5.459 40 0 IKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072215302 557342000 /nfs/dbraw/zinc/34/20/00/557342000.db2.gz NWRRMNMRXYHLSU-KRWDZBQOSA-N 0 0 449.592 5.499 40 0 IKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072215301 557342048 /nfs/dbraw/zinc/34/20/48/557342048.db2.gz NWRRMNMRXYHLSU-QGZVFWFLSA-N 0 0 449.592 5.499 40 0 IKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072215293 557342104 /nfs/dbraw/zinc/34/21/04/557342104.db2.gz IPAAXWASOIIYNO-KNQAVFIVSA-N 0 0 437.584 5.989 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CCC1 ZINC000072215531 557342234 /nfs/dbraw/zinc/34/22/34/557342234.db2.gz VOCITFOIFKWOJF-IBGZPJMESA-N 0 0 431.577 5.838 40 0 IKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217279 557342381 /nfs/dbraw/zinc/34/23/81/557342381.db2.gz IHSFZHHMFZMKTP-JOCHJYFZSA-N 0 0 430.639 5.731 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1)C1CCCCC1 ZINC000072215690 557342680 /nfs/dbraw/zinc/34/26/80/557342680.db2.gz AOTSEATUGNNVQM-HSZRJFAPSA-N 0 0 449.595 6.133 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1)C1CCCCC1 ZINC000072215750 557342683 /nfs/dbraw/zinc/34/26/83/557342683.db2.gz YBDRCFKJLSEDSW-HSZRJFAPSA-N 0 0 449.595 6.133 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072215859 557342700 /nfs/dbraw/zinc/34/27/00/557342700.db2.gz CMJGOEBDLJFSGN-HXUWFJFHSA-N 0 0 439.556 6.227 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215800 557342703 /nfs/dbraw/zinc/34/27/03/557342703.db2.gz SZAKWBIGWLEBHA-FQEVSTJZSA-N 0 0 439.556 6.227 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072215809 557342720 /nfs/dbraw/zinc/34/27/20/557342720.db2.gz DVIORNWVEDFFFL-QHCPKHFHSA-N 0 0 443.547 6.132 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222489520 557343096 /nfs/dbraw/zinc/34/30/96/557343096.db2.gz QEAPSNNESNBCSC-HSZRJFAPSA-N 0 0 445.003 5.139 40 0 IKABRN COc1ccc(CN(Cc2cc3ccc(C)cc3nc2Cl)C(=O)c2cccs2)cc1 ZINC000013566058 557343839 /nfs/dbraw/zinc/34/38/39/557343839.db2.gz SYLICRAEIASRPQ-UHFFFAOYSA-N 0 0 436.964 6.109 40 0 IKABRN COc1ccc(C2=COC3(C2)CCN(C(=O)CCn2c(C)c(C)c4ccccc42)CC3)cc1 ZINC000013566345 557344274 /nfs/dbraw/zinc/34/42/74/557344274.db2.gz PVCKYBUTRVLEDT-UHFFFAOYSA-N 0 0 444.575 5.479 40 0 IKABRN CC(C)(C)C(=O)N(Cc1cc(-c2ccccc2)cn2nnnc12)c1ccc(C(C)(C)C)cc1 ZINC000013566563 557345157 /nfs/dbraw/zinc/34/51/57/557345157.db2.gz GFOYWWGCZFTETJ-UHFFFAOYSA-N 0 0 441.579 5.668 40 0 IKABRN COc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)cc1 ZINC000013566761 557345493 /nfs/dbraw/zinc/34/54/93/557345493.db2.gz FAOJBKUDRPYIST-UHFFFAOYSA-N 0 0 449.482 5.467 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222504196 557345601 /nfs/dbraw/zinc/34/56/01/557345601.db2.gz SBUSQRDWPZMUIT-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222504345 557345607 /nfs/dbraw/zinc/34/56/07/557345607.db2.gz RJJGHXNWUMZEEW-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1cc(N[C@@H](NC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)no1 ZINC000033678729 557346401 /nfs/dbraw/zinc/34/64/01/557346401.db2.gz YUUIRIHCCSBENU-PBOSXPJTSA-N 0 0 426.772 5.278 40 0 IKABRN Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1C)C1CCCCC1)c1nnnn12 ZINC000013568290 557347231 /nfs/dbraw/zinc/34/72/31/557347231.db2.gz XTNUOQYJBJKORO-UHFFFAOYSA-N 0 0 428.540 5.261 40 0 IKABRN Cc1ccccc1Cn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000013568326 557347254 /nfs/dbraw/zinc/34/72/54/557347254.db2.gz FQGSKQPTUCHSOE-UHFFFAOYSA-N 0 0 447.991 6.291 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222524805 557347509 /nfs/dbraw/zinc/34/75/09/557347509.db2.gz VUPMHXJZEAMIOO-IBGZPJMESA-N 0 0 434.967 5.025 40 0 IKABRN CC(C)C[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000222538255 557348636 /nfs/dbraw/zinc/34/86/36/557348636.db2.gz YMELRRJROIXIIW-DEOSSOPVSA-N 0 0 436.577 5.029 40 0 IKABRN O=C(Nc1ccccc1)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1 ZINC000013577110 557349002 /nfs/dbraw/zinc/34/90/02/557349002.db2.gz LYFJTNDIUWCUNA-SALAOISXSA-N 0 0 444.534 5.787 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC(C)C)cc1 ZINC000222545817 557349330 /nfs/dbraw/zinc/34/93/30/557349330.db2.gz QLARNLKGTYCYNB-QHCPKHFHSA-N 0 0 429.004 5.167 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)NC(C)C)cc1 ZINC000222545884 557349434 /nfs/dbraw/zinc/34/94/34/557349434.db2.gz QLARNLKGTYCYNB-HSZRJFAPSA-N 0 0 429.004 5.167 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 ZINC000222546599 557349617 /nfs/dbraw/zinc/34/96/17/557349617.db2.gz AALMFJNXIBLUOD-UHFFFAOYSA-N 0 0 436.577 5.504 40 0 IKABRN CC[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1 ZINC000222550295 557350154 /nfs/dbraw/zinc/35/01/54/557350154.db2.gz WNUYPQWRYSGRJV-DEOSSOPVSA-N 0 0 436.577 5.010 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000222552009 557350391 /nfs/dbraw/zinc/35/03/91/557350391.db2.gz HCEQTHNNEZNDAV-QFIPXVFZSA-N 0 0 445.003 5.174 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000222553543 557350812 /nfs/dbraw/zinc/35/08/12/557350812.db2.gz KEOOENFYHUGLNN-FQEVSTJZSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000222557301 557351690 /nfs/dbraw/zinc/35/16/90/557351690.db2.gz JXJZKRYFOYUPKR-OAQYLSRUSA-N 0 0 433.017 5.154 40 0 IKABRN COc1ccc(-n2cccc2CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)cc1 ZINC000222560488 557351986 /nfs/dbraw/zinc/35/19/86/557351986.db2.gz SVAQNFCMVPOHFL-UHFFFAOYSA-N 0 0 436.943 5.342 40 0 IKABRN Cc1cc2c(cc(C(=O)O[C@@H](C(=O)NC3CCCCC3)c3ccccc3F)n2C)s1 ZINC000013561561 557352066 /nfs/dbraw/zinc/35/20/66/557352066.db2.gz TYOLJONMTPHJGR-OAQYLSRUSA-N 0 0 428.529 5.034 40 0 IKABRN CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000013561866 557352442 /nfs/dbraw/zinc/35/24/42/557352442.db2.gz HZTURXGBUQKPBZ-HSZRJFAPSA-N 0 0 446.986 5.268 40 0 IKABRN COc1ccc2cc(CN(Cc3cccc(C)c3)C(=O)c3ccc(C)cc3)c(Cl)nc2c1 ZINC000013562043 557352596 /nfs/dbraw/zinc/35/25/96/557352596.db2.gz SZUGFEQBLXWPGC-UHFFFAOYSA-N 0 0 444.962 6.356 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CC3)cc2c1 ZINC000013562017 557352672 /nfs/dbraw/zinc/35/26/72/557352672.db2.gz WUGMEOWQDLVPLS-UHFFFAOYSA-N 0 0 427.375 6.140 40 0 IKABRN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C2CCCC2)cc1C ZINC000013562275 557352834 /nfs/dbraw/zinc/35/28/34/557352834.db2.gz ABKAJCOMLWOKPA-UHFFFAOYSA-N 0 0 440.012 6.666 40 0 IKABRN CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000222564351 557353087 /nfs/dbraw/zinc/35/30/87/557353087.db2.gz GJOUPHZNRSKGLB-UHFFFAOYSA-N 0 0 433.423 5.647 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000222567341 557353658 /nfs/dbraw/zinc/35/36/58/557353658.db2.gz PAJDMPUJJMXMAQ-XUZZJYLKSA-N 0 0 440.653 5.242 40 0 IKABRN CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C ZINC000222577939 557355230 /nfs/dbraw/zinc/35/52/30/557355230.db2.gz VRVQWYPGYKNZNM-KPOBHBOGSA-N 0 0 431.989 5.510 40 0 IKABRN O=C(c1ccc(-c2ccccc2)cc1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc(Cl)cc1 ZINC000013590741 557356643 /nfs/dbraw/zinc/35/66/43/557356643.db2.gz UMQHLMRDNWRFRP-QFIPXVFZSA-N 0 0 444.840 5.617 40 0 IKABRN O=C(c1ccc(-c2ccccc2)cc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(Cl)cc1 ZINC000013590739 557356660 /nfs/dbraw/zinc/35/66/60/557356660.db2.gz UMQHLMRDNWRFRP-JOCHJYFZSA-N 0 0 444.840 5.617 40 0 IKABRN Cc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000013590847 557356677 /nfs/dbraw/zinc/35/66/77/557356677.db2.gz NIJXXEKLLYSRGC-STZFKDTASA-N 0 0 432.321 5.562 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222596073 557358249 /nfs/dbraw/zinc/35/82/49/557358249.db2.gz ZFHOCEHDHWGQPP-XMMPIXPASA-N 0 0 443.031 5.728 40 0 IKABRN CCc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000033752138 557359453 /nfs/dbraw/zinc/35/94/53/557359453.db2.gz SDKLWRWAVXGWGH-VJGNERBWSA-N 0 0 448.522 5.453 40 0 IKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cc2Cl)S1 ZINC000222600281 557359526 /nfs/dbraw/zinc/35/95/26/557359526.db2.gz GGPAICZCBMEQKF-MRFFXTKBSA-N 0 0 429.376 5.768 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 ZINC000222601211 557359583 /nfs/dbraw/zinc/35/95/83/557359583.db2.gz GWGPGWKGRPLXAB-QFIPXVFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C ZINC000222602397 557359794 /nfs/dbraw/zinc/35/97/94/557359794.db2.gz NSYCUQVDZMXGNH-QFIPXVFZSA-N 0 0 445.003 5.174 40 0 IKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccc(Cl)cc3)cc2)S1 ZINC000222605677 557360372 /nfs/dbraw/zinc/36/03/72/557360372.db2.gz MCODFFANQSAFPS-YDFBLROQSA-N 0 0 438.021 6.476 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000222608295 557360937 /nfs/dbraw/zinc/36/09/37/557360937.db2.gz GTWMNLSIRFJVPT-UHFFFAOYSA-N 0 0 436.298 6.495 40 0 IKABRN COC(=O)c1cn(C(=O)COc2ccc(C(C)(C)C)cc2Br)c2ccccc12 ZINC000222610882 557361515 /nfs/dbraw/zinc/36/15/15/557361515.db2.gz QZKZKSFIKNUFFO-UHFFFAOYSA-N 0 0 444.325 5.207 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000222618214 557362687 /nfs/dbraw/zinc/36/26/87/557362687.db2.gz UMQBBDLNTLCCAZ-CUNXSJBXSA-N 0 0 444.619 5.537 40 0 IKABRN COC(=O)c1cn(C(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc12 ZINC000222625471 557364315 /nfs/dbraw/zinc/36/43/15/557364315.db2.gz WWMDEHHWOMDVKB-UHFFFAOYSA-N 0 0 445.346 5.287 40 0 IKABRN COC(=O)c1cn(C(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c2ccccc12 ZINC000222625369 557364342 /nfs/dbraw/zinc/36/43/42/557364342.db2.gz FHIZOSLGKLKHJW-UHFFFAOYSA-N 0 0 445.346 5.287 40 0 IKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000222627125 557364689 /nfs/dbraw/zinc/36/46/89/557364689.db2.gz SJYMWSILYMDYPI-UHFFFAOYSA-N 0 0 426.825 6.826 40 0 IKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Br)cc3)o2)S1 ZINC000222629882 557365237 /nfs/dbraw/zinc/36/52/37/557365237.db2.gz BYRAPEAMPMXCSZ-MRFFXTKBSA-N 0 0 440.366 5.693 40 0 IKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000222631770 557365440 /nfs/dbraw/zinc/36/54/40/557365440.db2.gz CQDVXTDWHGFQRT-KNMUDHKVSA-N 0 0 430.360 6.238 40 0 IKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000222631570 557365454 /nfs/dbraw/zinc/36/54/54/557365454.db2.gz CQDVXTDWHGFQRT-CFGAKRJMSA-N 0 0 430.360 6.238 40 0 IKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N21 ZINC000222648403 557368200 /nfs/dbraw/zinc/36/82/00/557368200.db2.gz NHRWOYZUSOUURW-MTNREXPMSA-N 0 0 437.653 6.362 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222654814 557369127 /nfs/dbraw/zinc/36/91/27/557369127.db2.gz FQHZTNZNNJOWSU-HXUWFJFHSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC(C)C)c(OC)c3)N21 ZINC000222657885 557369295 /nfs/dbraw/zinc/36/92/95/557369295.db2.gz VMRZSJYVSBZFHU-CDHQVMDDSA-N 0 0 431.989 5.510 40 0 IKABRN CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC(C)C ZINC000222661874 557369962 /nfs/dbraw/zinc/36/99/62/557369962.db2.gz RXCDRNCCRKPRCY-HBGVWJBISA-N 0 0 446.016 5.900 40 0 IKABRN CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1Br ZINC000222666181 557370468 /nfs/dbraw/zinc/37/04/68/557370468.db2.gz LIZZUQIHXPNSLI-NIKGAXFTSA-N 0 0 432.387 5.222 40 0 IKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Br)c3)N21 ZINC000222666469 557370740 /nfs/dbraw/zinc/37/07/40/557370740.db2.gz XOMZTWZWDZQYST-UIAACRFSSA-N 0 0 446.414 5.611 40 0 IKABRN CCOc1ccc(Br)cc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 ZINC000222669255 557371338 /nfs/dbraw/zinc/37/13/38/557371338.db2.gz VVKUIRPLTNWJSY-MDASCCDHSA-N 0 0 432.387 5.222 40 0 IKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3nc4ccccc4s3)N21 ZINC000222675936 557372314 /nfs/dbraw/zinc/37/23/14/557372314.db2.gz KGVHHYQGTAGNLT-ONGXBYRLSA-N 0 0 431.590 5.461 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222674884 557372327 /nfs/dbraw/zinc/37/23/27/557372327.db2.gz IEKLQYYYIYUGSL-INIZCTEOSA-N 0 0 435.395 5.213 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222682156 557373443 /nfs/dbraw/zinc/37/34/43/557373443.db2.gz PJXHDLNLOCACLR-LLVKDONJSA-N 0 0 448.177 5.006 40 0 IKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(Sc4ccc(C)cc4)cc3)N21 ZINC000222689186 557374434 /nfs/dbraw/zinc/37/44/34/557374434.db2.gz GXNCZORZSHCQSE-WDJPJFJCSA-N 0 0 431.630 6.521 40 0 IKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222687247 557374540 /nfs/dbraw/zinc/37/45/40/557374540.db2.gz IDABDGFSWHAMKH-UHFFFAOYSA-N 0 0 432.372 7.297 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000222704460 557376643 /nfs/dbraw/zinc/37/66/43/557376643.db2.gz RLPCEXBWYALLMG-JOCHJYFZSA-N 0 0 449.422 5.485 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C ZINC000222704140 557376694 /nfs/dbraw/zinc/37/66/94/557376694.db2.gz OEKIKZITWVHDCG-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC2CCCCC2)CC1 ZINC000072345286 557377361 /nfs/dbraw/zinc/37/73/61/557377361.db2.gz YAFXBYQVOGERLF-UHFFFAOYSA-N 0 0 432.608 5.221 40 0 IKABRN Cc1ccccc1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222711219 557377510 /nfs/dbraw/zinc/37/75/10/557377510.db2.gz UNGNOCRIUQUTCU-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222713403 557377547 /nfs/dbraw/zinc/37/75/47/557377547.db2.gz JZHGKRDGGUXIIN-MRXNPFEDSA-N 0 0 449.422 5.387 40 0 IKABRN Cc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222713601 557377661 /nfs/dbraw/zinc/37/76/61/557377661.db2.gz UGDSLXONSQTTIH-KRWDZBQOSA-N 0 0 433.017 5.073 40 0 IKABRN CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000013616016 557377692 /nfs/dbraw/zinc/37/76/92/557377692.db2.gz FXUGUDHTQLEEJC-HAHDFKILSA-N 0 0 427.500 5.626 40 0 IKABRN CNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)CC2CCCC2)CC1 ZINC000072345307 557377668 /nfs/dbraw/zinc/37/76/68/557377668.db2.gz QPGRUSQPEMHXAR-UHFFFAOYSA-N 0 0 432.608 5.140 40 0 IKABRN Cc1cccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222714452 557377991 /nfs/dbraw/zinc/37/79/91/557377991.db2.gz QETQPKRNXQGNAO-SFHVURJKSA-N 0 0 447.044 5.214 40 0 IKABRN Cc1cccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222714220 557378008 /nfs/dbraw/zinc/37/80/08/557378008.db2.gz AKAXYVTTXYMEQE-OAQYLSRUSA-N 0 0 440.653 5.177 40 0 IKABRN Cc1cccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222714514 557378074 /nfs/dbraw/zinc/37/80/74/557378074.db2.gz QETQPKRNXQGNAO-GOSISDBHSA-N 0 0 447.044 5.214 40 0 IKABRN Cc1cccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222714170 557378108 /nfs/dbraw/zinc/37/81/08/557378108.db2.gz AKAXYVTTXYMEQE-NRFANRHFSA-N 0 0 440.653 5.177 40 0 IKABRN CCC1(CC)C[C@@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2O1 ZINC000222714649 557378382 /nfs/dbraw/zinc/37/83/82/557378382.db2.gz FNEMNIGIPXLAAI-LJQANCHMSA-N 0 0 438.420 6.425 40 0 IKABRN CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222718895 557378828 /nfs/dbraw/zinc/37/88/28/557378828.db2.gz BFFOBCLFFBMMCT-UHFFFAOYSA-N 0 0 425.381 5.251 40 0 IKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222721695 557378997 /nfs/dbraw/zinc/37/89/97/557378997.db2.gz HODGRZURRLRKPL-UHFFFAOYSA-N 0 0 425.381 5.394 40 0 IKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccc(OC)cc4)c3C)N21 ZINC000222720027 557379027 /nfs/dbraw/zinc/37/90/27/557379027.db2.gz KJZUNXWGCBOWGE-UKDVSSAZSA-N 0 0 446.620 5.786 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222722671 557379398 /nfs/dbraw/zinc/37/93/98/557379398.db2.gz UMSBUBXAHGWYNV-INIZCTEOSA-N 0 0 435.395 5.213 40 0 IKABRN CC(C)Oc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000222725167 557379576 /nfs/dbraw/zinc/37/95/76/557379576.db2.gz ZKIIIORQRZPCOG-UHFFFAOYSA-N 0 0 426.409 5.763 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000222727061 557379829 /nfs/dbraw/zinc/37/98/29/557379829.db2.gz UMIJATLSKAUDIR-HXUWFJFHSA-N 0 0 426.409 6.139 40 0 IKABRN CC(C)Oc1ccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000222727095 557379870 /nfs/dbraw/zinc/37/98/70/557379870.db2.gz NYMUUJFTOPSPOY-MOHJPFBDSA-N 0 0 448.588 5.055 40 0 IKABRN CCCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222727581 557380032 /nfs/dbraw/zinc/38/00/32/557380032.db2.gz MHBBBNOSBCYMSN-UHFFFAOYSA-N 0 0 426.409 5.764 40 0 IKABRN CCOC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2Cl)ccc1Cl ZINC000222727301 557380088 /nfs/dbraw/zinc/38/00/88/557380088.db2.gz MFDRSFBKNAGGQE-UHFFFAOYSA-N 0 0 432.756 5.695 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222730041 557380332 /nfs/dbraw/zinc/38/03/32/557380332.db2.gz SSDNENJNQBFRLA-NSHDSACASA-N 0 0 448.177 5.006 40 0 IKABRN CCCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222731258 557380615 /nfs/dbraw/zinc/38/06/15/557380615.db2.gz HWKMTXMEDKZCRU-UHFFFAOYSA-N 0 0 426.409 5.764 40 0 IKABRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)CC(C)(C)O2 ZINC000222732039 557380632 /nfs/dbraw/zinc/38/06/32/557380632.db2.gz DRDUTOVVYLWZOM-SFHVURJKSA-N 0 0 440.392 5.654 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)Cc3ccccc3)c2)cc1 ZINC000013628698 557382514 /nfs/dbraw/zinc/38/25/14/557382514.db2.gz CIEOBIKLXOUGSD-UHFFFAOYSA-N 0 0 445.588 5.292 40 0 IKABRN CCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628196 557382560 /nfs/dbraw/zinc/38/25/60/557382560.db2.gz CUQCHYWCONJHTQ-UHFFFAOYSA-N 0 0 430.548 5.816 40 0 IKABRN CC(C)COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628352 557382619 /nfs/dbraw/zinc/38/26/19/557382619.db2.gz HYPVRHLLPAQMAA-UHFFFAOYSA-N 0 0 444.575 6.524 40 0 IKABRN Cc1ccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222750023 557382819 /nfs/dbraw/zinc/38/28/19/557382819.db2.gz MNMKRPYXRRSVPF-NRFANRHFSA-N 0 0 440.653 5.177 40 0 IKABRN Cc1ccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222750537 557382931 /nfs/dbraw/zinc/38/29/31/557382931.db2.gz JGZUOGKTRUTZFC-GOSISDBHSA-N 0 0 447.044 5.214 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c(C)c1 ZINC000113965064 557383235 /nfs/dbraw/zinc/38/32/35/557383235.db2.gz GWDKZHZGONVQSP-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C ZINC000222752278 557383280 /nfs/dbraw/zinc/38/32/80/557383280.db2.gz XYOHPVGMIUNZHW-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000222752455 557383309 /nfs/dbraw/zinc/38/33/09/557383309.db2.gz STRCGOXZLULJOC-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN CCOC(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)c(C)c2)n1C1CCCCC1 ZINC000027345843 557383325 /nfs/dbraw/zinc/38/33/25/557383325.db2.gz IPNBBHJMWBOQTP-OAHLLOKOSA-N 0 0 437.993 5.368 40 0 IKABRN CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000013632309 557383435 /nfs/dbraw/zinc/38/34/35/557383435.db2.gz WWDVAIBSFBJHPA-UHFFFAOYSA-N 0 0 430.548 5.816 40 0 IKABRN Cc1cccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1C ZINC000113965800 557383812 /nfs/dbraw/zinc/38/38/12/557383812.db2.gz JUNQNHFKKJDZNI-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222765633 557384191 /nfs/dbraw/zinc/38/41/91/557384191.db2.gz IXLGQDZEXBXCHP-FQEVSTJZSA-N 0 0 434.967 5.006 40 0 IKABRN C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222768452 557384708 /nfs/dbraw/zinc/38/47/08/557384708.db2.gz CUTZQGCTXNKFLF-FQEVSTJZSA-N 0 0 438.999 5.307 40 0 IKABRN Cc1ccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222770061 557384808 /nfs/dbraw/zinc/38/48/08/557384808.db2.gz QLRDMLDLJKXRAQ-IBGZPJMESA-N 0 0 445.003 5.139 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)c1 ZINC000222770728 557385036 /nfs/dbraw/zinc/38/50/36/557385036.db2.gz LABBWMQOCUBBHX-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222771671 557385073 /nfs/dbraw/zinc/38/50/73/557385073.db2.gz LMNBLBRWVABVNA-YADHBBJMSA-N 0 0 425.001 5.443 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc3ccccc3c2)ccc1C ZINC000222770652 557385088 /nfs/dbraw/zinc/38/50/88/557385088.db2.gz ZEAIQQVCNJIWHB-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN Cc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222772903 557385333 /nfs/dbraw/zinc/38/53/33/557385333.db2.gz RUGCDMJOCUZBDK-FQEVSTJZSA-N 0 0 438.612 5.003 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc4ccccc4c3)c2C)cc1 ZINC000222777437 557385894 /nfs/dbraw/zinc/38/58/94/557385894.db2.gz QZAJSQOSFKMQDM-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222776873 557385928 /nfs/dbraw/zinc/38/59/28/557385928.db2.gz LMIGMJHSZGGLBT-NSHDSACASA-N 0 0 448.177 5.006 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000222782416 557386540 /nfs/dbraw/zinc/38/65/40/557386540.db2.gz OLFOZCVFLHHZLN-QFIPXVFZSA-N 0 0 449.422 5.566 40 0 IKABRN Cc1ccccc1CSCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C ZINC000222785635 557386707 /nfs/dbraw/zinc/38/67/07/557386707.db2.gz IWYAJDRZUYARBS-GOSISDBHSA-N 0 0 447.044 5.214 40 0 IKABRN Cc1ccc(SCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222785171 557386760 /nfs/dbraw/zinc/38/67/60/557386760.db2.gz RHWILUAUPANSCW-KRWDZBQOSA-N 0 0 433.017 5.073 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000222792081 557387269 /nfs/dbraw/zinc/38/72/69/557387269.db2.gz SATFKQFILGHGRQ-JOCHJYFZSA-N 0 0 449.422 5.485 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000222800799 557387856 /nfs/dbraw/zinc/38/78/56/557387856.db2.gz UARFSXNBNIEBJM-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F ZINC000222801162 557388124 /nfs/dbraw/zinc/38/81/24/557388124.db2.gz UHHDLMICQZCVLY-FQEVSTJZSA-N 0 0 439.358 5.007 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 ZINC000222813233 557389590 /nfs/dbraw/zinc/38/95/90/557389590.db2.gz ZQWLAPTYXSFWKT-SFHVURJKSA-N 0 0 447.044 5.295 40 0 IKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222816660 557389812 /nfs/dbraw/zinc/38/98/12/557389812.db2.gz DPGCGRNWULAMAX-PKTZIBPZSA-N 0 0 439.028 5.832 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000222817819 557389836 /nfs/dbraw/zinc/38/98/36/557389836.db2.gz IXYMBRXIDYFHMA-INIZCTEOSA-N 0 0 435.395 5.258 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222821025 557390171 /nfs/dbraw/zinc/39/01/71/557390171.db2.gz OZDSIKLTYOSOLK-UXHICEINSA-N 0 0 431.392 5.560 40 0 IKABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C ZINC000222821481 557390340 /nfs/dbraw/zinc/39/03/40/557390340.db2.gz YFOIAOAWKPCINW-SFHVURJKSA-N 0 0 445.003 5.174 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000222826497 557390778 /nfs/dbraw/zinc/39/07/78/557390778.db2.gz FRRRNAVCIUXWBP-QGZVFWFLSA-N 0 0 433.017 5.154 40 0 IKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222825602 557390782 /nfs/dbraw/zinc/39/07/82/557390782.db2.gz DYTFXJIMCGVMGN-GOSISDBHSA-N 0 0 447.044 5.214 40 0 IKABRN Cc1ccccc1CSCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C ZINC000222825471 557390821 /nfs/dbraw/zinc/39/08/21/557390821.db2.gz STJSYAHJSNUCMQ-GOSISDBHSA-N 0 0 447.044 5.214 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000222826437 557390825 /nfs/dbraw/zinc/39/08/25/557390825.db2.gz FRRRNAVCIUXWBP-KRWDZBQOSA-N 0 0 433.017 5.154 40 0 IKABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222835001 557391485 /nfs/dbraw/zinc/39/14/85/557391485.db2.gz RGVQWBAKPCROPF-CQSZACIVSA-N 0 0 441.786 5.336 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870834 557391816 /nfs/dbraw/zinc/39/18/16/557391816.db2.gz DHCNMQSCQGGWSS-MRXNPFEDSA-N 0 0 444.988 5.439 40 0 IKABRN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870831 557391823 /nfs/dbraw/zinc/39/18/23/557391823.db2.gz WEBJYUUCJCLJFL-HNNXBMFYSA-N 0 0 430.961 5.131 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870833 557391881 /nfs/dbraw/zinc/39/18/81/557391881.db2.gz VNGRTCODBJGKRW-INIZCTEOSA-N 0 0 444.988 5.439 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2Cl)n1CC ZINC000013870844 557392029 /nfs/dbraw/zinc/39/20/29/557392029.db2.gz AXSCZMCKUKIVGR-OAHLLOKOSA-N 0 0 444.988 5.385 40 0 IKABRN CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870940 557392033 /nfs/dbraw/zinc/39/20/33/557392033.db2.gz MVALLPFZYDDABR-JKSUJKDBSA-N 0 0 444.988 5.061 40 0 IKABRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870840 557392130 /nfs/dbraw/zinc/39/21/30/557392130.db2.gz JAUAZFXURIWJCI-MRXNPFEDSA-N 0 0 444.988 5.439 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3C)n2CC)cc1 ZINC000013871543 557392309 /nfs/dbraw/zinc/39/23/09/557392309.db2.gz YSDNVILNURKQIL-GOSISDBHSA-N 0 0 438.597 5.348 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2CC)cc1 ZINC000013871523 557392403 /nfs/dbraw/zinc/39/24/03/557392403.db2.gz MGHUXWZLQIMMDS-OAHLLOKOSA-N 0 0 444.988 5.385 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)cc1 ZINC000013871350 557392416 /nfs/dbraw/zinc/39/24/16/557392416.db2.gz IDXFQFMDIURLGS-KRWDZBQOSA-N 0 0 446.576 5.402 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2CC)cc1 ZINC000013871550 557392576 /nfs/dbraw/zinc/39/25/76/557392576.db2.gz WKUKAAKHOBMVIM-SFHVURJKSA-N 0 0 438.597 5.348 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000222841335 557392556 /nfs/dbraw/zinc/39/25/56/557392556.db2.gz XKINELQJKNQBND-VQTJNVASSA-N 0 0 441.398 5.016 40 0 IKABRN C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222842686 557392593 /nfs/dbraw/zinc/39/25/93/557392593.db2.gz WYVBAAXFNVPNDV-NRFANRHFSA-N 0 0 448.994 5.049 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1Cl ZINC000222841929 557392611 /nfs/dbraw/zinc/39/26/11/557392611.db2.gz YUGQRGLAZQSZFJ-CYBMUJFWSA-N 0 0 432.800 5.772 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3CC)n2CC)cc1 ZINC000013871554 557392640 /nfs/dbraw/zinc/39/26/40/557392640.db2.gz RBSOFEXTVRSVQK-KRWDZBQOSA-N 0 0 438.597 5.294 40 0 IKABRN Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)CCc2ccccc2)cc1 ZINC000222841986 557392671 /nfs/dbraw/zinc/39/26/71/557392671.db2.gz XMLRAGPQKUHEHL-OAQYLSRUSA-N 0 0 448.994 5.315 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1Cl ZINC000222844546 557393123 /nfs/dbraw/zinc/39/31/23/557393123.db2.gz NCRGROVZQKSOGI-QZTJIDSGSA-N 0 0 436.939 5.545 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222848330 557393448 /nfs/dbraw/zinc/39/34/48/557393448.db2.gz VZSMOBOIKBPBAF-PMACEKPBSA-N 0 0 432.376 6.029 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222848917 557393714 /nfs/dbraw/zinc/39/37/14/557393714.db2.gz HRMBGDSIYVBESZ-UXHICEINSA-N 0 0 432.376 6.029 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222848661 557393782 /nfs/dbraw/zinc/39/37/82/557393782.db2.gz IPDLSFLSEYSCRO-UXHICEINSA-N 0 0 432.376 6.029 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222848857 557393794 /nfs/dbraw/zinc/39/37/94/557393794.db2.gz HRMBGDSIYVBESZ-PMACEKPBSA-N 0 0 432.376 6.029 40 0 IKABRN Clc1ccc(CSc2nnc(Cc3ccc(Br)cc3)o2)c(Cl)c1 ZINC000010475615 557394362 /nfs/dbraw/zinc/39/43/62/557394362.db2.gz NOHNVHXNIVXFNV-UHFFFAOYSA-N 0 0 430.154 6.022 40 0 IKABRN CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222852860 557394444 /nfs/dbraw/zinc/39/44/44/557394444.db2.gz ZKAPSHAOIFYYSA-SFHVURJKSA-N 0 0 445.003 5.174 40 0 IKABRN CCn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000013841837 557394567 /nfs/dbraw/zinc/39/45/67/557394567.db2.gz GMGHAJYNJAANRE-UHFFFAOYSA-N 0 0 428.772 6.130 40 0 IKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222856209 557394945 /nfs/dbraw/zinc/39/49/45/557394945.db2.gz CTZCWUVLHPWHMF-LJQANCHMSA-N 0 0 443.031 5.728 40 0 IKABRN Cc1c(OC(=O)c2ccccc2)ccc2c1C=C[C@]1(C)[C@@H]2CC[C@H]1[C@@H](C)CCCC(C)C ZINC000025549058 557395536 /nfs/dbraw/zinc/39/55/36/557395536.db2.gz VIXDHGDNWWEKMR-NWAHNDBCSA-N 0 0 430.632 8.203 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222865952 557395795 /nfs/dbraw/zinc/39/57/95/557395795.db2.gz VOCLROKIZYWNAU-UXHICEINSA-N 0 0 431.392 5.562 40 0 IKABRN Cc1cc(C)cc(CSCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222865515 557395815 /nfs/dbraw/zinc/39/58/15/557395815.db2.gz IPWLOVRNAGOPOE-LJQANCHMSA-N 0 0 444.616 5.008 40 0 IKABRN O=C(Oc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1)c1ccc(Cl)cc1 ZINC000013925308 557396427 /nfs/dbraw/zinc/39/64/27/557396427.db2.gz WAOBHMCINPCBJA-MOSHPQCFSA-N 0 0 438.266 5.557 40 0 IKABRN CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1 ZINC000013925099 557396472 /nfs/dbraw/zinc/39/64/72/557396472.db2.gz YYXHIGLZRLQZAS-STZFKDTASA-N 0 0 433.891 5.662 40 0 IKABRN CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000013925400 557396528 /nfs/dbraw/zinc/39/65/28/557396528.db2.gz CVEAOONEPSIHNQ-HAHDFKILSA-N 0 0 427.500 5.626 40 0 IKABRN Cc1ccccc1COc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000013928575 557396856 /nfs/dbraw/zinc/39/68/56/557396856.db2.gz WRIINNGAJVLRTE-XKZIYDEJSA-N 0 0 448.316 5.681 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N(C)c3ccc(C)c(C)c3)cc2)cc1 ZINC000222877341 557396971 /nfs/dbraw/zinc/39/69/71/557396971.db2.gz ZTSXHHBFZKRUBF-UHFFFAOYSA-N 0 0 436.577 5.008 40 0 IKABRN CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000222879164 557397279 /nfs/dbraw/zinc/39/72/79/557397279.db2.gz IFRRSOLFHAUPFQ-FQEVSTJZSA-N 0 0 426.409 5.763 40 0 IKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000222882495 557397747 /nfs/dbraw/zinc/39/77/47/557397747.db2.gz VFRFIYGTSZRYOQ-KBMIEXCESA-N 0 0 430.548 5.536 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222885580 557397910 /nfs/dbraw/zinc/39/79/10/557397910.db2.gz ICOQQJBJTUORAM-UXHICEINSA-N 0 0 430.499 5.274 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222885716 557398183 /nfs/dbraw/zinc/39/81/83/557398183.db2.gz ICOQQJBJTUORAM-WOJBJXKFSA-N 0 0 430.499 5.274 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222885644 557398219 /nfs/dbraw/zinc/39/82/19/557398219.db2.gz ICOQQJBJTUORAM-VQTJNVASSA-N 0 0 430.499 5.274 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000222887086 557398467 /nfs/dbraw/zinc/39/84/67/557398467.db2.gz CVOPEAXXMBQIBF-WOJBJXKFSA-N 0 0 441.398 5.017 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222887649 557398484 /nfs/dbraw/zinc/39/84/84/557398484.db2.gz MZFWNMNYYSXRAC-IBGZPJMESA-N 0 0 440.603 5.388 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000222887016 557398521 /nfs/dbraw/zinc/39/85/21/557398521.db2.gz CVOPEAXXMBQIBF-VQTJNVASSA-N 0 0 441.398 5.017 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 ZINC000222886890 557398536 /nfs/dbraw/zinc/39/85/36/557398536.db2.gz CVOPEAXXMBQIBF-PMACEKPBSA-N 0 0 441.398 5.017 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1C ZINC000013981249 557399859 /nfs/dbraw/zinc/39/98/59/557399859.db2.gz XFAGCXSGZPUYDL-RIYZIHGNSA-N 0 0 440.952 5.410 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222894336 557399927 /nfs/dbraw/zinc/39/99/27/557399927.db2.gz OZPLLYUCIJVSPY-WOJBJXKFSA-N 0 0 432.376 6.031 40 0 IKABRN O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1Br ZINC000013981957 557400086 /nfs/dbraw/zinc/40/00/86/557400086.db2.gz UFOSVFWSIXIDSZ-UHFFFAOYSA-N 0 0 435.115 5.382 40 0 IKABRN O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 ZINC000013992099 557400461 /nfs/dbraw/zinc/40/04/61/557400461.db2.gz LMSFXXDXFPEUBZ-UHFFFAOYSA-N 0 0 431.517 6.478 40 0 IKABRN COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccc(Cl)cc1 ZINC000013995197 557400984 /nfs/dbraw/zinc/40/09/84/557400984.db2.gz IWAOIEDUFTYJGZ-RBZFPXEDSA-N 0 0 443.956 5.122 40 0 IKABRN COc1cc([C@H]2S[C@@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccc(Cl)cc1 ZINC000013995200 557401013 /nfs/dbraw/zinc/40/10/13/557401013.db2.gz IWAOIEDUFTYJGZ-RNODOKPDSA-N 0 0 443.956 5.122 40 0 IKABRN COc1cc([C@@H]2S[C@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccccc1Cl ZINC000013995226 557401370 /nfs/dbraw/zinc/40/13/70/557401370.db2.gz UBLNCNSKHJWTLR-XCLFUZPHSA-N 0 0 443.956 5.122 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222911419 557401771 /nfs/dbraw/zinc/40/17/71/557401771.db2.gz QLEPOUJFUVZXFC-SFTDATJTSA-N 0 0 445.419 5.808 40 0 IKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013997983 557402565 /nfs/dbraw/zinc/40/25/65/557402565.db2.gz XSXHVGULZAXMOM-UHFFFAOYSA-N 0 0 436.577 5.654 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000222921092 557402928 /nfs/dbraw/zinc/40/29/28/557402928.db2.gz HTWVEPUCGNGQQF-GOSISDBHSA-N 0 0 429.582 5.507 40 0 IKABRN O=C1S/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)C(=O)N1c1ccccc1 ZINC000409344851 557403147 /nfs/dbraw/zinc/40/31/47/557403147.db2.gz JSBVAUJYJWYLDJ-UQQQWYQISA-N 0 0 437.520 6.660 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000222924937 557403606 /nfs/dbraw/zinc/40/36/06/557403606.db2.gz QWFVBVGKAIDAAO-XMMPIXPASA-N 0 0 445.563 5.105 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000222926730 557404205 /nfs/dbraw/zinc/40/42/05/557404205.db2.gz NOTCFLLBEOCHEX-JOCHJYFZSA-N 0 0 448.529 5.509 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118912665 557404567 /nfs/dbraw/zinc/40/45/67/557404567.db2.gz JVRUDYNTKOCRNP-HAUQEPAVSA-N 0 0 436.592 6.107 40 0 IKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118912505 557404576 /nfs/dbraw/zinc/40/45/76/557404576.db2.gz FFLGORGANMRISQ-GTQUWJOWSA-N 0 0 432.733 7.076 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@@H]2O ZINC000118913478 557404905 /nfs/dbraw/zinc/40/49/05/557404905.db2.gz IVXHYDUXTYURSY-VFAPJLIGSA-N 0 0 446.553 6.383 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@@H]2O ZINC000118913479 557404936 /nfs/dbraw/zinc/40/49/36/557404936.db2.gz IVXHYDUXTYURSY-ALUNSLKMSA-N 0 0 446.553 6.383 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000118914694 557405190 /nfs/dbraw/zinc/40/51/90/557405190.db2.gz QGGRDHGCNNAWIE-BYPUKNBRSA-N 0 0 444.700 7.218 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118913685 557405216 /nfs/dbraw/zinc/40/52/16/557405216.db2.gz XUGISPSHIFXEHZ-VEEZVJAOSA-N 0 0 428.701 7.960 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222935013 557405244 /nfs/dbraw/zinc/40/52/44/557405244.db2.gz AULNSWPJKUXRNF-JWQCQUIFSA-N 0 0 426.589 5.654 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@](O)(CCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915003 557405434 /nfs/dbraw/zinc/40/54/34/557405434.db2.gz OSYGNEOCCSKLON-XCWLXJHVSA-N 0 0 438.652 6.325 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@](O)(/C=C/c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914947 557405533 /nfs/dbraw/zinc/40/55/33/557405533.db2.gz JBTRSWYBSZRTOK-VJWVUYHESA-N 0 0 436.636 6.405 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@](C)(CCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915033 557405537 /nfs/dbraw/zinc/40/55/37/557405537.db2.gz QXDFHJAYYMOLSW-DBPHNRAASA-N 0 0 436.680 7.600 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222938826 557405744 /nfs/dbraw/zinc/40/57/44/557405744.db2.gz WRWGYSCEIZRZMA-SFTDATJTSA-N 0 0 446.403 6.277 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000222938877 557405799 /nfs/dbraw/zinc/40/57/99/557405799.db2.gz YCAKVPMTEKXWSG-VXKWHMMOSA-N 0 0 425.569 5.569 40 0 IKABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222939399 557405962 /nfs/dbraw/zinc/40/59/62/557405962.db2.gz SUYRDXVMHGIZPC-YADHBBJMSA-N 0 0 425.985 5.932 40 0 IKABRN CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118916638 557406038 /nfs/dbraw/zinc/40/60/38/557406038.db2.gz CCORPVHYPHHRKB-LERCQJJSSA-N 0 0 442.728 8.350 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000222940912 557406068 /nfs/dbraw/zinc/40/60/68/557406068.db2.gz UDAXFPQZQRPPEE-IBGZPJMESA-N 0 0 427.932 5.161 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)c2)cc1 ZINC000222942573 557406391 /nfs/dbraw/zinc/40/63/91/557406391.db2.gz BVAATFISNLOYPD-IBGZPJMESA-N 0 0 448.588 5.166 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000222941065 557406400 /nfs/dbraw/zinc/40/64/00/557406400.db2.gz DIGFXEJFFHSDBW-IBGZPJMESA-N 0 0 427.932 5.161 40 0 IKABRN CSC(=S)OCCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926293 557406560 /nfs/dbraw/zinc/40/65/60/557406560.db2.gz GTRLSBCDXSIBTA-GOEQLKSBSA-N 0 0 436.771 8.116 40 0 IKABRN CSC(=S)OCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926297 557406579 /nfs/dbraw/zinc/40/65/79/557406579.db2.gz GTRLSBCDXSIBTA-OFKGFKPKSA-N 0 0 436.771 8.116 40 0 IKABRN Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)(C)C ZINC000222943659 557406627 /nfs/dbraw/zinc/40/66/27/557406627.db2.gz RIAZEBHSSLCKAR-MRXNPFEDSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222943888 557406664 /nfs/dbraw/zinc/40/66/64/557406664.db2.gz OFIOPKIEYPSXEQ-KRWDZBQOSA-N 0 0 449.422 5.485 40 0 IKABRN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1NS(=O)(=O)c1ccccc1 ZINC000222943689 557406676 /nfs/dbraw/zinc/40/66/76/557406676.db2.gz KTUTXIOWYPEGIW-LJQANCHMSA-N 0 0 448.588 5.166 40 0 IKABRN CC[C@@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118928235 557406982 /nfs/dbraw/zinc/40/69/82/557406982.db2.gz WAIQWYALYSCYLA-MFESIODWSA-N 0 0 426.729 8.455 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F ZINC000222944098 557406976 /nfs/dbraw/zinc/40/69/76/557406976.db2.gz YWBXVVLPSGQJBG-CQSZACIVSA-N 0 0 439.358 5.007 40 0 IKABRN CCO[C@@]1(C)CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118930813 557407141 /nfs/dbraw/zinc/40/71/41/557407141.db2.gz FJYXPDKTLJKYNH-UFTLLSGWSA-N 0 0 428.745 8.823 40 0 IKABRN 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CDNPCPIQXRTYDV-AMCKHAKVSA-N 0 0 444.531 5.086 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222968564 557409490 /nfs/dbraw/zinc/40/94/90/557409490.db2.gz USDGMJLUROKPLZ-KRWDZBQOSA-N 0 0 449.422 5.566 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222975449 557410389 /nfs/dbraw/zinc/41/03/89/557410389.db2.gz RTLMYEUUKVRYJL-NHCUHLMSSA-N 0 0 444.526 5.664 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)c(C)c1 ZINC000222979342 557410416 /nfs/dbraw/zinc/41/04/16/557410416.db2.gz DZRCJUQMCUEAFF-YADHBBJMSA-N 0 0 425.001 5.607 40 0 IKABRN C[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222975455 557410421 /nfs/dbraw/zinc/41/04/21/557410421.db2.gz XJBVJFVHENSRRF-QGZVFWFLSA-N 0 0 445.434 5.962 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 ZINC000222979464 557410727 /nfs/dbraw/zinc/41/07/27/557410727.db2.gz DZRCJUQMCUEAFF-FGZHOGPDSA-N 0 0 425.001 5.607 40 0 IKABRN 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Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1S(=O)(=O)Nc1ccccc1 ZINC000014154903 557426500 /nfs/dbraw/zinc/42/65/00/557426500.db2.gz YDEOAYJSYBDDMN-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)cc1C ZINC000014154732 557426504 /nfs/dbraw/zinc/42/65/04/557426504.db2.gz GCMKYQAREFNTSB-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000223074778 557426640 /nfs/dbraw/zinc/42/66/40/557426640.db2.gz RVJKDHOHQIZRQY-SJORKVTESA-N 0 0 435.395 5.258 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223075752 557426681 /nfs/dbraw/zinc/42/66/81/557426681.db2.gz VJYYAFOZJPNLIB-QFIPXVFZSA-N 0 0 436.640 5.559 40 0 IKABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000223076917 557426922 /nfs/dbraw/zinc/42/69/22/557426922.db2.gz HNNUEMZWZUSIHJ-PLRJNAJWSA-N 0 0 436.511 5.265 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223077495 557427152 /nfs/dbraw/zinc/42/71/52/557427152.db2.gz KRVSCZGWGOFGGQ-HXUWFJFHSA-N 0 0 445.003 5.141 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223078166 557427208 /nfs/dbraw/zinc/42/72/08/557427208.db2.gz JAGLHGYRXYMCKI-UHFFFAOYSA-N 0 0 446.978 6.310 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223081240 557427880 /nfs/dbraw/zinc/42/78/80/557427880.db2.gz HQDMMWFLOGILMY-NRFANRHFSA-N 0 0 438.612 5.005 40 0 IKABRN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000223081687 557427928 /nfs/dbraw/zinc/42/79/28/557427928.db2.gz KGPRSMZXQJSRHZ-MRXNPFEDSA-N 0 0 436.914 5.563 40 0 IKABRN CC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223083025 557428204 /nfs/dbraw/zinc/42/82/04/557428204.db2.gz ASJMPJFOTXXJMG-LJQANCHMSA-N 0 0 436.777 5.628 40 0 IKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(Br)c4)ccc32)c1 ZINC000223082897 557428223 /nfs/dbraw/zinc/42/82/23/557428223.db2.gz VOHZRFRSSATOAA-UHFFFAOYSA-N 0 0 449.348 5.603 40 0 IKABRN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1)c1cc2ccccc2o1 ZINC000014269114 557428267 /nfs/dbraw/zinc/42/82/67/557428267.db2.gz FCWXYLNTBJCWFO-UHFFFAOYSA-N 0 0 449.919 5.465 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223084576 557428675 /nfs/dbraw/zinc/42/86/75/557428675.db2.gz WOBWJNVXFMRZKC-AREMUKBSSA-N 0 0 433.979 6.679 40 0 IKABRN O=C(NC(=S)Nc1ccccc1Br)c1ccc(OCc2ccccc2)cc1 ZINC000014269470 557428720 /nfs/dbraw/zinc/42/87/20/557428720.db2.gz QFQFRUMDTWOWEI-UHFFFAOYSA-N 0 0 441.350 5.155 40 0 IKABRN O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000014269491 557428741 /nfs/dbraw/zinc/42/87/41/557428741.db2.gz HQMQRTJQPKCQEL-UHFFFAOYSA-N 0 0 445.588 5.383 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000014269540 557428751 /nfs/dbraw/zinc/42/87/51/557428751.db2.gz ACAIKIKNOWETSW-OWFXSXJRSA-N 0 0 441.424 5.211 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1 ZINC000014269858 557429141 /nfs/dbraw/zinc/42/91/41/557429141.db2.gz IEVBQTOQSQZXOE-UHFFFAOYSA-N 0 0 449.963 6.146 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1NC(=O)C(C)C ZINC000223086295 557429150 /nfs/dbraw/zinc/42/91/50/557429150.db2.gz WDPHFUBFCDSMKP-UHFFFAOYSA-N 0 0 433.382 5.111 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1 ZINC000014269894 557429172 /nfs/dbraw/zinc/42/91/72/557429172.db2.gz IYVNGMBMVNGRSL-UHFFFAOYSA-N 0 0 443.528 5.374 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccco1 ZINC000223088012 557429437 /nfs/dbraw/zinc/42/94/37/557429437.db2.gz HQKHZKXJXKYCSK-BJKOFHAPSA-N 0 0 434.609 5.446 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCCC1 ZINC000223088817 557429688 /nfs/dbraw/zinc/42/96/88/557429688.db2.gz IZGRXIVCFNYWJT-PKTZIBPZSA-N 0 0 437.012 5.831 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc21 ZINC000223089425 557429696 /nfs/dbraw/zinc/42/96/96/557429696.db2.gz ZFFFAFWQQOONKE-QFIPXVFZSA-N 0 0 430.592 5.414 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 ZINC000014270449 557429740 /nfs/dbraw/zinc/42/97/40/557429740.db2.gz AVIHECAQGDVESZ-SDNWHVSQSA-N 0 0 449.988 6.143 40 0 IKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)C=Cc4ccccc4)ccc3O)nc2c1 ZINC000014270309 557429743 /nfs/dbraw/zinc/42/97/43/557429743.db2.gz JSYROEXJIVBXRF-UKTHLTGXSA-N 0 0 443.528 5.289 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1 ZINC000014270606 557429868 /nfs/dbraw/zinc/42/98/68/557429868.db2.gz LVRUPACTFDRBMT-UHFFFAOYSA-N 0 0 449.963 6.146 40 0 IKABRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000014270527 557429905 /nfs/dbraw/zinc/42/99/05/557429905.db2.gz JIPXUXJBZFTJLL-UHFFFAOYSA-N 0 0 441.343 5.664 40 0 IKABRN Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223091931 557430117 /nfs/dbraw/zinc/43/01/17/557430117.db2.gz XGVZIVCZVUDPRX-DNQXCXABSA-N 0 0 449.645 6.439 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)c1 ZINC000014270856 557430083 /nfs/dbraw/zinc/43/00/83/557430083.db2.gz WKGJRYKQDXFGAP-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)COc4ccccc4C)c3)nc2c1 ZINC000014270712 557430114 /nfs/dbraw/zinc/43/01/14/557430114.db2.gz FXMFPOXYVOTNMU-UHFFFAOYSA-N 0 0 445.544 5.312 40 0 IKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 ZINC000014270703 557430129 /nfs/dbraw/zinc/43/01/29/557430129.db2.gz JCJHCUVIXCKDRZ-UHFFFAOYSA-N 0 0 443.572 6.362 40 0 IKABRN Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223092034 557430157 /nfs/dbraw/zinc/43/01/57/557430157.db2.gz XGVZIVCZVUDPRX-BJKOFHAPSA-N 0 0 449.645 6.439 40 0 IKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014270992 557430270 /nfs/dbraw/zinc/43/02/70/557430270.db2.gz LZDYIBMTUSEUDX-CYBMUJFWSA-N 0 0 447.387 6.894 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 ZINC000014270917 557430358 /nfs/dbraw/zinc/43/03/58/557430358.db2.gz PBCHLTXUGDYTQX-UHFFFAOYSA-N 0 0 443.576 5.035 40 0 IKABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000014271303 557430518 /nfs/dbraw/zinc/43/05/18/557430518.db2.gz SYQPNUUCFOAWGI-UHFFFAOYSA-N 0 0 446.359 5.622 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl ZINC000223095247 557430566 /nfs/dbraw/zinc/43/05/66/557430566.db2.gz YKXOWCGZBHWRLD-IBGZPJMESA-N 0 0 447.044 5.215 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000014271267 557430592 /nfs/dbraw/zinc/43/05/92/557430592.db2.gz LEVOOOCUALPLFY-UHFFFAOYSA-N 0 0 443.528 5.374 40 0 IKABRN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014271357 557430789 /nfs/dbraw/zinc/43/07/89/557430789.db2.gz PGJOUDZOLKWJSI-UHFFFAOYSA-N 0 0 449.315 5.151 40 0 IKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000014271875 557431203 /nfs/dbraw/zinc/43/12/03/557431203.db2.gz YMMJVEZRNQCRKV-UHFFFAOYSA-N 0 0 444.044 6.001 40 0 IKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000014271892 557431210 /nfs/dbraw/zinc/43/12/10/557431210.db2.gz JASDYTPWKYZRSU-FQEVSTJZSA-N 0 0 443.616 5.711 40 0 IKABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000014271883 557431234 /nfs/dbraw/zinc/43/12/34/557431234.db2.gz RPCLVNLCQSBFJJ-BJMVGYQFSA-N 0 0 444.000 5.111 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000014271890 557431274 /nfs/dbraw/zinc/43/12/74/557431274.db2.gz JASDYTPWKYZRSU-HXUWFJFHSA-N 0 0 443.616 5.711 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c(F)c1F ZINC000014271979 557431293 /nfs/dbraw/zinc/43/12/93/557431293.db2.gz PJYUORVKXBPDKP-UHFFFAOYSA-N 0 0 446.425 6.089 40 0 IKABRN Cc1cc2nc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3Cl)oc2c(C)c1 ZINC000014272180 557431493 /nfs/dbraw/zinc/43/14/93/557431493.db2.gz MQOANNHBAFZHBC-UHFFFAOYSA-N 0 0 441.314 6.436 40 0 IKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)oc2c1 ZINC000014272197 557431517 /nfs/dbraw/zinc/43/15/17/557431517.db2.gz WGDVVGQYKICUCX-UHFFFAOYSA-N 0 0 448.950 6.772 40 0 IKABRN COc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 ZINC000014272343 557431661 /nfs/dbraw/zinc/43/16/61/557431661.db2.gz WAPGOPJSWFTJGG-UHFFFAOYSA-N 0 0 446.503 5.653 40 0 IKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1cccc(C)c1C ZINC000014272341 557431667 /nfs/dbraw/zinc/43/16/67/557431667.db2.gz RRWOOYARDLOJIC-UHFFFAOYSA-N 0 0 444.531 6.261 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000223104399 557431775 /nfs/dbraw/zinc/43/17/75/557431775.db2.gz LKPINUKXIZVVGX-SNVBAGLBSA-N 0 0 431.717 5.095 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000223104636 557431838 /nfs/dbraw/zinc/43/18/38/557431838.db2.gz VUEMFZCERAKQPG-NSHDSACASA-N 0 0 431.717 5.095 40 0 IKABRN Cc1ccc(C)c2sc(NC(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)nc21 ZINC000014272456 557431942 /nfs/dbraw/zinc/43/19/42/557431942.db2.gz FIFJHOSAFMXCHI-UHFFFAOYSA-N 0 0 443.783 6.508 40 0 IKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000014272571 557432143 /nfs/dbraw/zinc/43/21/43/557432143.db2.gz BCXVUIQNFIPSKV-UHFFFAOYSA-N 0 0 442.902 6.871 40 0 IKABRN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1cccc2c(Cl)cccc12 ZINC000014272563 557432153 /nfs/dbraw/zinc/43/21/53/557432153.db2.gz IFHYIRCRHLCFDH-UHFFFAOYSA-N 0 0 448.909 7.707 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1 ZINC000014272708 557432189 /nfs/dbraw/zinc/43/21/89/557432189.db2.gz HELYWFZRLWMAQW-UHFFFAOYSA-N 0 0 448.954 5.579 40 0 IKABRN CCC1(CC)C[C@@H](NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c2ccccc2O1 ZINC000223106660 557432235 /nfs/dbraw/zinc/43/22/35/557432235.db2.gz ODPNTXZQJNEOKU-HSZRJFAPSA-N 0 0 449.978 6.731 40 0 IKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)cc4)cc3n2)c(C)c1 ZINC000014272795 557432293 /nfs/dbraw/zinc/43/22/93/557432293.db2.gz CAJNKWUZZYFXGB-UHFFFAOYSA-N 0 0 443.551 5.144 40 0 IKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4)cc3n2)c(C)c1 ZINC000014272783 557432318 /nfs/dbraw/zinc/43/23/18/557432318.db2.gz ZYXJKXHKJMIBFO-UHFFFAOYSA-N 0 0 447.970 5.789 40 0 IKABRN CC[C@@H](C)c1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1 ZINC000014272853 557432329 /nfs/dbraw/zinc/43/23/29/557432329.db2.gz TYVJNTXKTAFYKP-LLVKDONJSA-N 0 0 441.163 5.986 40 0 IKABRN COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1ccccc1Cl ZINC000014273025 557432636 /nfs/dbraw/zinc/43/26/36/557432636.db2.gz RDCKWTJJSYHFFK-UHFFFAOYSA-N 0 0 449.721 6.160 40 0 IKABRN COc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1NC(=O)C(C)C ZINC000014273041 557432668 /nfs/dbraw/zinc/43/26/68/557432668.db2.gz URKHPKQMAUAJGB-UHFFFAOYSA-N 0 0 447.318 6.109 40 0 IKABRN COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223109041 557432730 /nfs/dbraw/zinc/43/27/30/557432730.db2.gz OZWCUZMAFSQNQU-ZEQRLZLVSA-N 0 0 432.593 5.186 40 0 IKABRN C[C@H](NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C)c1ccc(Cl)cc1 ZINC000223108876 557432772 /nfs/dbraw/zinc/43/27/72/557432772.db2.gz VIWXIEIXYRKNNY-NEPJUHHUSA-N 0 0 445.744 5.026 40 0 IKABRN C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)c2C(N)=O)C1 ZINC000014273333 557433064 /nfs/dbraw/zinc/43/30/64/557433064.db2.gz YWXIWPJNSJBPKB-SNVBAGLBSA-N 0 0 449.359 5.791 40 0 IKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223114964 557433414 /nfs/dbraw/zinc/43/34/14/557433414.db2.gz YZGGWNPABONPDG-LOSJGSFVSA-N 0 0 447.604 6.046 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223116482 557433878 /nfs/dbraw/zinc/43/38/78/557433878.db2.gz VBVZQEZPCHDWGP-WOJBJXKFSA-N 0 0 440.603 5.388 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CCCC)cc1 ZINC000223118163 557433887 /nfs/dbraw/zinc/43/38/87/557433887.db2.gz UBYFHWGOZMPPKK-UHFFFAOYSA-N 0 0 427.570 5.009 40 0 IKABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc3ccccc32)CC1 ZINC000014291102 557434014 /nfs/dbraw/zinc/43/40/14/557434014.db2.gz NMMHIFGVMSMDHM-UHFFFAOYSA-N 0 0 435.955 5.050 40 0 IKABRN Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000014291227 557434318 /nfs/dbraw/zinc/43/43/18/557434318.db2.gz KDWWFCGTYRYPGH-UHFFFAOYSA-N 0 0 447.966 5.172 40 0 IKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223121277 557434354 /nfs/dbraw/zinc/43/43/54/557434354.db2.gz YAEUCZMUXWIDFL-CLJLJLNGSA-N 0 0 444.648 6.103 40 0 IKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223121397 557434608 /nfs/dbraw/zinc/43/46/08/557434608.db2.gz YAEUCZMUXWIDFL-IZZNHLLZSA-N 0 0 444.648 6.103 40 0 IKABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)cc1 ZINC000223123103 557434817 /nfs/dbraw/zinc/43/48/17/557434817.db2.gz WHIOBKQTDRIDLX-UHFFFAOYSA-N 0 0 446.572 5.337 40 0 IKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000014396347 557434995 /nfs/dbraw/zinc/43/49/95/557434995.db2.gz NWRIFCPLRQXCBK-HNNXBMFYSA-N 0 0 440.436 6.108 40 0 IKABRN CC(C)c1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000014397105 557435398 /nfs/dbraw/zinc/43/53/98/557435398.db2.gz LBLWYHYTDYTMNV-UHFFFAOYSA-N 0 0 443.396 5.302 40 0 IKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000014397039 557435422 /nfs/dbraw/zinc/43/54/22/557435422.db2.gz BXULVLZRRDSAGL-LJQANCHMSA-N 0 0 430.548 5.320 40 0 IKABRN O=C(CCCOc1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014397689 557435759 /nfs/dbraw/zinc/43/57/59/557435759.db2.gz ZAFALWJTHPDQTD-UHFFFAOYSA-N 0 0 448.994 5.433 40 0 IKABRN O=C(Nc1ccc(I)cc1)c1cc2cc3ccccc3nc2s1 ZINC000223128993 557435921 /nfs/dbraw/zinc/43/59/21/557435921.db2.gz WVNXTNPNVQZXNQ-UHFFFAOYSA-N 0 0 430.270 5.306 40 0 IKABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC ZINC000223129450 557435926 /nfs/dbraw/zinc/43/59/26/557435926.db2.gz CJBAXTRPYNZMPF-HSZRJFAPSA-N 0 0 429.004 5.386 40 0 IKABRN Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014398217 557436009 /nfs/dbraw/zinc/43/60/09/557436009.db2.gz SZJABXUOCUJUFG-AWEZNQCLSA-N 0 0 437.321 5.303 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc21 ZINC000223135110 557437178 /nfs/dbraw/zinc/43/71/78/557437178.db2.gz IQWKWKHHABBRAI-VQTJNVASSA-N 0 0 434.555 5.244 40 0 IKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000014400128 557437215 /nfs/dbraw/zinc/43/72/15/557437215.db2.gz VPEKRAUNDVKSJE-LJQANCHMSA-N 0 0 428.381 5.209 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223135894 557437359 /nfs/dbraw/zinc/43/73/59/557437359.db2.gz ADGOSTBAXRLLII-OAQYLSRUSA-N 0 0 447.044 5.544 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223140629 557437998 /nfs/dbraw/zinc/43/79/98/557437998.db2.gz MWHFQEMJXQCSPL-RUZDIDTESA-N 0 0 448.994 5.415 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223140660 557438059 /nfs/dbraw/zinc/43/80/59/557438059.db2.gz RKJIWAWDFHULCV-GJZGRUSLSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000223144359 557438827 /nfs/dbraw/zinc/43/88/27/557438827.db2.gz RFKOGVMNHIOOEA-RUZDIDTESA-N 0 0 443.006 5.837 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000223146381 557438973 /nfs/dbraw/zinc/43/89/73/557438973.db2.gz XBEMDZYPGWPGCJ-IBGZPJMESA-N 0 0 447.044 5.464 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 ZINC000223145882 557438980 /nfs/dbraw/zinc/43/89/80/557438980.db2.gz PJIXICVJAZOHNI-GOSISDBHSA-N 0 0 433.017 5.156 40 0 IKABRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)C1=O ZINC000408812303 557441311 /nfs/dbraw/zinc/44/13/11/557441311.db2.gz OHVWCOGWWKQKTP-DHDCSXOGSA-N 0 0 438.730 5.348 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223176200 557441724 /nfs/dbraw/zinc/44/17/24/557441724.db2.gz JJGTUZGJBVBXGI-HXUWFJFHSA-N 0 0 445.003 5.141 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 ZINC000223181054 557442467 /nfs/dbraw/zinc/44/24/67/557442467.db2.gz QGOAPKRFMLHCFE-LJQANCHMSA-N 0 0 447.044 5.297 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000223183191 557442670 /nfs/dbraw/zinc/44/26/70/557442670.db2.gz NOFOIEWBRZDMBM-SFHVURJKSA-N 0 0 435.568 5.550 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000223184150 557442859 /nfs/dbraw/zinc/44/28/59/557442859.db2.gz JZHZBNIXLUSEQH-MRXNPFEDSA-N 0 0 440.436 6.242 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223185935 557442922 /nfs/dbraw/zinc/44/29/22/557442922.db2.gz RMGVGRQXIAUUNM-KRWDZBQOSA-N 0 0 435.395 5.260 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 ZINC000223184207 557442963 /nfs/dbraw/zinc/44/29/63/557442963.db2.gz LJXUMLALIBCZCP-LJQANCHMSA-N 0 0 429.004 5.169 40 0 IKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000014404968 557443052 /nfs/dbraw/zinc/44/30/52/557443052.db2.gz OLHBLYZUCIKXNH-UHFFFAOYSA-N 0 0 444.922 5.647 40 0 IKABRN Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)c1sc2cc(C)ccc2c1Cl ZINC000014404736 557443062 /nfs/dbraw/zinc/44/30/62/557443062.db2.gz BYTMZWGAUZZBAW-UHFFFAOYSA-N 0 0 438.940 5.708 40 0 IKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cc4ccccc4o3)c2)c1C ZINC000014405423 557443301 /nfs/dbraw/zinc/44/33/01/557443301.db2.gz BITLOTCQQNZUFK-UHFFFAOYSA-N 0 0 430.508 5.551 40 0 IKABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3cccc4ccccc43)cc2)c1C ZINC000014405270 557443306 /nfs/dbraw/zinc/44/33/06/557443306.db2.gz COOCCCQIDWDCKU-UHFFFAOYSA-N 0 0 440.547 5.958 40 0 IKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2cccs2)c1 ZINC000014404993 557443330 /nfs/dbraw/zinc/44/33/30/557443330.db2.gz AEINQQOQHBZYHI-BUHFOSPRSA-N 0 0 442.544 5.455 40 0 IKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)CCC(=O)c2ccccc2)c1C ZINC000014405583 557443586 /nfs/dbraw/zinc/44/35/86/557443586.db2.gz DORPKDQPUJULKF-UHFFFAOYSA-N 0 0 446.551 5.154 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)c2C)cc1 ZINC000223192463 557443920 /nfs/dbraw/zinc/44/39/20/557443920.db2.gz ZGTSEXAKAZQOQK-IBGZPJMESA-N 0 0 448.588 5.084 40 0 IKABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000223192846 557444222 /nfs/dbraw/zinc/44/42/22/557444222.db2.gz QOEUSSREEFGKTJ-RUZDIDTESA-N 0 0 436.571 5.182 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000014410959 557444452 /nfs/dbraw/zinc/44/44/52/557444452.db2.gz CSYZFGPZSYQJJQ-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223193865 557444490 /nfs/dbraw/zinc/44/44/90/557444490.db2.gz GSRVZNGGRQEXPM-LJQANCHMSA-N 0 0 447.044 5.215 40 0 IKABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000014412297 557444883 /nfs/dbraw/zinc/44/48/83/557444883.db2.gz ODVORJXYOOPEFA-OAQYLSRUSA-N 0 0 447.343 5.613 40 0 IKABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000014412294 557444904 /nfs/dbraw/zinc/44/49/04/557444904.db2.gz ODVORJXYOOPEFA-NRFANRHFSA-N 0 0 447.343 5.613 40 0 IKABRN Cc1ccccc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000014413490 557445134 /nfs/dbraw/zinc/44/51/34/557445134.db2.gz MACIXZBAGPAIAC-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000014413434 557445136 /nfs/dbraw/zinc/44/51/36/557445136.db2.gz VYBLDGMKXROZGB-UHFFFAOYSA-N 0 0 436.577 5.261 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000014400251 557445874 /nfs/dbraw/zinc/44/58/74/557445874.db2.gz CIEHPFCSNDTIID-UHFFFAOYSA-N 0 0 449.787 5.140 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000014400866 557446145 /nfs/dbraw/zinc/44/61/45/557446145.db2.gz AJFHEQGYAWDXKH-UHFFFAOYSA-N 0 0 449.576 5.038 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000223210481 557446405 /nfs/dbraw/zinc/44/64/05/557446405.db2.gz XNEKLZIOUKVWOG-UHFFFAOYSA-N 0 0 426.409 5.854 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223212306 557446634 /nfs/dbraw/zinc/44/66/34/557446634.db2.gz UGPPXNTVDLFTEH-JOCHJYFZSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 ZINC000223213187 557446674 /nfs/dbraw/zinc/44/66/74/557446674.db2.gz PDNUSJAVROLWSJ-HSZRJFAPSA-N 0 0 440.653 5.340 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl ZINC000223223361 557447721 /nfs/dbraw/zinc/44/77/21/557447721.db2.gz VMOWVEBZQVSWQC-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl ZINC000223223224 557447743 /nfs/dbraw/zinc/44/77/43/557447743.db2.gz KWQXDTRPZDQKIP-NRFANRHFSA-N 0 0 432.967 5.052 40 0 IKABRN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccccc2OC)cc1OC ZINC000014608030 557448062 /nfs/dbraw/zinc/44/80/62/557448062.db2.gz UUDUIOSQEVIMBV-XMMPIXPASA-N 0 0 443.503 5.062 40 0 IKABRN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2cccs2)cc1OC ZINC000014608037 557448174 /nfs/dbraw/zinc/44/81/74/557448174.db2.gz IJVFIZKKGRLDBZ-QHCPKHFHSA-N 0 0 433.533 5.044 40 0 IKABRN CCC1=Nc2ccccc2N=C(NC(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(OC)cc1 ZINC000014608092 557448177 /nfs/dbraw/zinc/44/81/77/557448177.db2.gz DFKKGDVDGYKKNS-DEOSSOPVSA-N 0 0 441.487 5.164 40 0 IKABRN CCC1=Nc2ccccc2N=C(NC(=O)CSc2nccc(C)n2)[C@H]1c1ccccc1 ZINC000014608070 557448207 /nfs/dbraw/zinc/44/82/07/557448207.db2.gz KEMBUMVYNWSFBD-QFIPXVFZSA-N 0 0 429.549 5.003 40 0 IKABRN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)Nc2ccccc2)cc1OC ZINC000014608044 557448211 /nfs/dbraw/zinc/44/82/11/557448211.db2.gz BBXQHBXNZSZXNT-HSZRJFAPSA-N 0 0 428.492 5.445 40 0 IKABRN CCC1=Nc2ccccc2N=C(NC(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(OC)cc1 ZINC000014608091 557448219 /nfs/dbraw/zinc/44/82/19/557448219.db2.gz DFKKGDVDGYKKNS-XMMPIXPASA-N 0 0 441.487 5.164 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C ZINC000223225679 557448208 /nfs/dbraw/zinc/44/82/08/557448208.db2.gz JUFIXIWIODKLCS-QHCPKHFHSA-N 0 0 440.653 5.259 40 0 IKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1 ZINC000014649209 557448791 /nfs/dbraw/zinc/44/87/91/557448791.db2.gz FOTCXDDMLYPLIC-UHFFFAOYSA-N 0 0 427.136 5.643 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223230436 557448962 /nfs/dbraw/zinc/44/89/62/557448962.db2.gz FCWQOTMFRABVKG-LJQANCHMSA-N 0 0 429.004 5.169 40 0 IKABRN C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3cccc(C(F)(F)F)c3)c3cccc1c32 ZINC000014671877 557449061 /nfs/dbraw/zinc/44/90/61/557449061.db2.gz KZMXARTWDDEFJL-DMZKTXOQSA-N 0 0 446.494 5.271 40 0 IKABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc(Cl)c(F)c1 ZINC000014671897 557449217 /nfs/dbraw/zinc/44/92/17/557449217.db2.gz BUEYKRXMUSPBAM-HSZRJFAPSA-N 0 0 442.943 5.262 40 0 IKABRN CCc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000223253297 557451317 /nfs/dbraw/zinc/45/13/17/557451317.db2.gz IFXWRCMCUSGGJF-PPHZAIPVSA-N 0 0 444.600 5.514 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc21 ZINC000223257702 557451769 /nfs/dbraw/zinc/45/17/69/557451769.db2.gz SYPPUEWMKMNXSM-XMMPIXPASA-N 0 0 446.591 5.249 40 0 IKABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)c(C)c1 ZINC000014739238 557451861 /nfs/dbraw/zinc/45/18/61/557451861.db2.gz MGQKOPBQNKSYPD-UHFFFAOYSA-N 0 0 442.625 5.083 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223262153 557452386 /nfs/dbraw/zinc/45/23/86/557452386.db2.gz CMIOCGHHDIREKR-VWLOTQADSA-N 0 0 436.640 5.773 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl ZINC000223263715 557452489 /nfs/dbraw/zinc/45/24/89/557452489.db2.gz BHZOLBPEQQONIS-JOCHJYFZSA-N 0 0 429.004 5.303 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 ZINC000223266556 557453132 /nfs/dbraw/zinc/45/31/32/557453132.db2.gz XAELAQGQLQBPPT-QHCPKHFHSA-N 0 0 440.653 5.259 40 0 IKABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000223268681 557453685 /nfs/dbraw/zinc/45/36/85/557453685.db2.gz IQCOJJXBCXGUNY-SFHVURJKSA-N 0 0 448.588 5.204 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000014831531 557454264 /nfs/dbraw/zinc/45/42/64/557454264.db2.gz IKVKWHZEUAWJGD-UHFFFAOYSA-N 0 0 444.771 5.512 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000014831535 557454288 /nfs/dbraw/zinc/45/42/88/557454288.db2.gz LZGTYIKMXRNNOQ-UHFFFAOYSA-N 0 0 431.989 5.503 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000014831541 557454497 /nfs/dbraw/zinc/45/44/97/557454497.db2.gz AHYTUEOLEUWHNV-UHFFFAOYSA-N 0 0 447.988 5.240 40 0 IKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000223273913 557454540 /nfs/dbraw/zinc/45/45/40/557454540.db2.gz ZBBWTFWMFSFJDH-VWLOTQADSA-N 0 0 448.994 5.049 40 0 IKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(I)cc2)cc1C(C)C ZINC000223274193 557454574 /nfs/dbraw/zinc/45/45/74/557454574.db2.gz FVKSOIDHIBHWSC-CQSZACIVSA-N 0 0 437.321 5.223 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223276212 557454713 /nfs/dbraw/zinc/45/47/13/557454713.db2.gz XTDLCFHVWOUURX-JOCHJYFZSA-N 0 0 449.422 5.603 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223283047 557455581 /nfs/dbraw/zinc/45/55/81/557455581.db2.gz QQUKUMNXUUQERU-OAHLLOKOSA-N 0 0 439.358 5.009 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223283108 557455608 /nfs/dbraw/zinc/45/56/08/557455608.db2.gz QQUKUMNXUUQERU-HNNXBMFYSA-N 0 0 439.358 5.009 40 0 IKABRN Cc1cc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)ccc1Br ZINC000015008625 557456734 /nfs/dbraw/zinc/45/67/34/557456734.db2.gz KRYUHCYGXQYCOT-UHFFFAOYSA-N 0 0 438.734 5.192 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCCC1 ZINC000223306003 557457261 /nfs/dbraw/zinc/45/72/61/557457261.db2.gz COWJWFKIRMTNBW-OYDLWJJNSA-N 0 0 438.641 5.157 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F ZINC000223310689 557457709 /nfs/dbraw/zinc/45/77/09/557457709.db2.gz QZCIFRHWRYKNLN-JOCHJYFZSA-N 0 0 444.616 5.089 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 ZINC000223315405 557458233 /nfs/dbraw/zinc/45/82/33/557458233.db2.gz NMBQTJLGIFJFDO-FQEVSTJZSA-N 0 0 433.017 5.154 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 ZINC000223317056 557458559 /nfs/dbraw/zinc/45/85/59/557458559.db2.gz ZLLCZOSOOPJXSX-OAQYLSRUSA-N 0 0 447.044 5.544 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223320734 557458938 /nfs/dbraw/zinc/45/89/38/557458938.db2.gz ILMPNQSFLVTMCX-JOCHJYFZSA-N 0 0 449.422 5.603 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223321586 557459001 /nfs/dbraw/zinc/45/90/01/557459001.db2.gz UXDNNQIXORMLRP-SFHVURJKSA-N 0 0 449.422 5.486 40 0 IKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 ZINC000223320621 557459027 /nfs/dbraw/zinc/45/90/27/557459027.db2.gz XKJDAOVELDKNRZ-RUZDIDTESA-N 0 0 448.994 5.049 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223320679 557459045 /nfs/dbraw/zinc/45/90/45/557459045.db2.gz ILMPNQSFLVTMCX-QFIPXVFZSA-N 0 0 449.422 5.603 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223321405 557459046 /nfs/dbraw/zinc/45/90/46/557459046.db2.gz ISENZCOTEAPPEG-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1C(C)C ZINC000223327643 557459456 /nfs/dbraw/zinc/45/94/56/557459456.db2.gz HGMDFKJAIYDIMR-MRXNPFEDSA-N 0 0 434.374 5.454 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223328608 557459470 /nfs/dbraw/zinc/45/94/70/557459470.db2.gz QMUQCDOPKAGYCN-OAHLLOKOSA-N 0 0 439.358 5.009 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 ZINC000223330294 557459687 /nfs/dbraw/zinc/45/96/87/557459687.db2.gz WIHNGECJHSYRBP-FDJRJZQMSA-N 0 0 446.547 5.271 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F ZINC000223330044 557459692 /nfs/dbraw/zinc/45/96/92/557459692.db2.gz HTSFRWKZDZOAOP-HNNXBMFYSA-N 0 0 439.358 5.009 40 0 IKABRN CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000223343369 557460597 /nfs/dbraw/zinc/46/05/97/557460597.db2.gz TUOKCEPUOWKAKQ-VWLOTQADSA-N 0 0 434.967 5.526 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223343099 557460598 /nfs/dbraw/zinc/46/05/98/557460598.db2.gz JPYMMQHCZRLZKW-FQEVSTJZSA-N 0 0 435.395 5.258 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1Cc1ccccc1 ZINC000223342580 557460650 /nfs/dbraw/zinc/46/06/50/557460650.db2.gz XLDGGMSAYKLENQ-JWQCQUIFSA-N 0 0 442.588 5.314 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2F)cc1OCC ZINC000015327090 557461329 /nfs/dbraw/zinc/46/13/29/557461329.db2.gz OOLYDARHZJYLBA-UHFFFAOYSA-N 0 0 430.701 5.681 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223351594 557461435 /nfs/dbraw/zinc/46/14/35/557461435.db2.gz JGRRGTVLQUDTRB-QFIPXVFZSA-N 0 0 429.004 5.221 40 0 IKABRN Cc1ccc(-c2nnc(NC(=O)CSCc3ccc(Br)cc3)s2)cc1 ZINC000223358284 557462117 /nfs/dbraw/zinc/46/21/17/557462117.db2.gz DBSLTHDGIPAGER-UHFFFAOYSA-N 0 0 434.384 5.148 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000015419379 557462404 /nfs/dbraw/zinc/46/24/04/557462404.db2.gz KUDMRTZOAIYGCI-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000223363195 557462772 /nfs/dbraw/zinc/46/27/72/557462772.db2.gz BLVQXFDAQXQVEO-OAQYLSRUSA-N 0 0 439.943 5.085 40 0 IKABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223362075 557462785 /nfs/dbraw/zinc/46/27/85/557462785.db2.gz GFGRSTYBYLYNAS-DNQXCXABSA-N 0 0 445.544 5.506 40 0 IKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223362179 557462840 /nfs/dbraw/zinc/46/28/40/557462840.db2.gz GFGRSTYBYLYNAS-BJKOFHAPSA-N 0 0 445.544 5.506 40 0 IKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223363911 557462962 /nfs/dbraw/zinc/46/29/62/557462962.db2.gz ATNILYQIBHMTTI-XZOQPEGZSA-N 0 0 449.963 6.069 40 0 IKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223364640 557462977 /nfs/dbraw/zinc/46/29/77/557462977.db2.gz KDTCKDHAHCMNNY-XZOQPEGZSA-N 0 0 449.963 6.069 40 0 IKABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1Cl ZINC000223364986 557463011 /nfs/dbraw/zinc/46/30/11/557463011.db2.gz WKBOKCVZDCOMJJ-UHFFFAOYSA-N 0 0 427.932 5.358 40 0 IKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 ZINC000223366737 557463287 /nfs/dbraw/zinc/46/32/87/557463287.db2.gz TYPPUHQARVTOSI-JWQCQUIFSA-N 0 0 442.588 5.563 40 0 IKABRN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000015509162 557463342 /nfs/dbraw/zinc/46/33/42/557463342.db2.gz PTEACAYZKUYGJQ-UHFFFAOYSA-N 0 0 436.577 5.003 40 0 IKABRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1C(C)C ZINC000223369734 557463561 /nfs/dbraw/zinc/46/35/61/557463561.db2.gz QMDATZIXYLLLEA-OAHLLOKOSA-N 0 0 440.436 6.544 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1ccccc1 ZINC000223370386 557463747 /nfs/dbraw/zinc/46/37/47/557463747.db2.gz QEQOUURWBSKWNI-ZWKOTPCHSA-N 0 0 430.396 5.078 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000223373551 557463923 /nfs/dbraw/zinc/46/39/23/557463923.db2.gz XPXWMGZSMMBVMA-SFTDATJTSA-N 0 0 444.575 6.015 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000223373728 557463929 /nfs/dbraw/zinc/46/39/29/557463929.db2.gz XPXWMGZSMMBVMA-NHCUHLMSSA-N 0 0 444.575 6.015 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1nccs1 ZINC000223373421 557464035 /nfs/dbraw/zinc/46/40/35/557464035.db2.gz VLHDJCHLDVAPIK-FCHUYYIVSA-N 0 0 445.617 5.118 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000223375030 557464307 /nfs/dbraw/zinc/46/43/07/557464307.db2.gz FITLNWVVWHBOGB-OAHLLOKOSA-N 0 0 439.358 5.009 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000223376133 557464539 /nfs/dbraw/zinc/46/45/39/557464539.db2.gz UBMYHRQVHROMGT-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1Cc1ccco1 ZINC000223375412 557464567 /nfs/dbraw/zinc/46/45/67/557464567.db2.gz OBZUCGNJTAIDBH-RPBOFIJWSA-N 0 0 442.588 5.314 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccc1 ZINC000223376264 557464606 /nfs/dbraw/zinc/46/46/06/557464606.db2.gz CPOUEFDIZMEHGT-ZEQRLZLVSA-N 0 0 444.991 5.698 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccc1 ZINC000223376145 557464623 /nfs/dbraw/zinc/46/46/23/557464623.db2.gz CPOUEFDIZMEHGT-BJKOFHAPSA-N 0 0 444.991 5.698 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccc1 ZINC000223376320 557464625 /nfs/dbraw/zinc/46/46/25/557464625.db2.gz CPOUEFDIZMEHGT-RPWUZVMVSA-N 0 0 444.991 5.698 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F ZINC000223376495 557464810 /nfs/dbraw/zinc/46/48/10/557464810.db2.gz MRRLVKLXEZIWOF-HNNXBMFYSA-N 0 0 439.358 5.009 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCC1 ZINC000223380628 557465006 /nfs/dbraw/zinc/46/50/06/557465006.db2.gz NSMLAEAXGDWTMS-LOSJGSFVSA-N 0 0 430.621 5.788 40 0 IKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1C(C)C ZINC000223382976 557465366 /nfs/dbraw/zinc/46/53/66/557465366.db2.gz QCWKNOLKWPXODB-SFHVURJKSA-N 0 0 433.614 5.607 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223389060 557465847 /nfs/dbraw/zinc/46/58/47/557465847.db2.gz GVTIKIYFVWNYHJ-QFIPXVFZSA-N 0 0 445.003 5.058 40 0 IKABRN COc1cccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000223395472 557466532 /nfs/dbraw/zinc/46/65/32/557466532.db2.gz YIARTRNGVRPEJE-UHFFFAOYSA-N 0 0 427.953 5.450 40 0 IKABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223395814 557466557 /nfs/dbraw/zinc/46/65/57/557466557.db2.gz VDLIEKXWRNHCLM-JWQCQUIFSA-N 0 0 440.572 5.054 40 0 IKABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223396181 557466592 /nfs/dbraw/zinc/46/65/92/557466592.db2.gz MNXBSWGFVWUJPH-DQEYMECFSA-N 0 0 440.572 5.054 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1ccccc1 ZINC000223397962 557466604 /nfs/dbraw/zinc/46/66/04/557466604.db2.gz FWKPAVSEICHQKE-DHIUTWEWSA-N 0 0 445.979 5.093 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1C ZINC000223397506 557466650 /nfs/dbraw/zinc/46/66/50/557466650.db2.gz GOWDMCOARVLXIA-CLJLJLNGSA-N 0 0 438.600 5.662 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223396811 557466680 /nfs/dbraw/zinc/46/66/80/557466680.db2.gz DTYOMBMZQJDNGN-HSZRJFAPSA-N 0 0 443.031 5.557 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1C ZINC000223397597 557466698 /nfs/dbraw/zinc/46/66/98/557466698.db2.gz GOWDMCOARVLXIA-IZZNHLLZSA-N 0 0 438.600 5.662 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccc1 ZINC000223399417 557466878 /nfs/dbraw/zinc/46/68/78/557466878.db2.gz LJDIVWJKUXMCHA-ZEQRLZLVSA-N 0 0 445.975 6.168 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223403391 557467140 /nfs/dbraw/zinc/46/71/40/557467140.db2.gz ZLYXRTXIJLTNBR-HXUWFJFHSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C ZINC000223406130 557467564 /nfs/dbraw/zinc/46/75/64/557467564.db2.gz WWDXYCHQDYNAKC-JOCHJYFZSA-N 0 0 444.616 5.089 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223407516 557467868 /nfs/dbraw/zinc/46/78/68/557467868.db2.gz IBBVXBZOXXZFBF-JOCHJYFZSA-N 0 0 444.616 5.338 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223408267 557468340 /nfs/dbraw/zinc/46/83/40/557468340.db2.gz BDLFYMJFMYZZHN-VWLOTQADSA-N 0 0 438.999 5.827 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223409007 557468374 /nfs/dbraw/zinc/46/83/74/557468374.db2.gz XEAAKSRUZDLMLG-RUZDIDTESA-N 0 0 434.967 5.445 40 0 IKABRN Cc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)C(C)C)cc1 ZINC000223417796 557469649 /nfs/dbraw/zinc/46/96/49/557469649.db2.gz IBXDDWUTFGPFCW-RUZDIDTESA-N 0 0 448.994 5.691 40 0 IKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cc(Cl)ccc1Cl ZINC000033737138 557469756 /nfs/dbraw/zinc/46/97/56/557469756.db2.gz USYNMFQVJYBTCI-UHFFFAOYSA-N 0 0 442.799 5.764 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2cccc(Br)c2)C1=O)c1ccc(Cl)cc1 ZINC000033984721 557469850 /nfs/dbraw/zinc/46/98/50/557469850.db2.gz GIKVODPEDFQKDE-CXUHLZMHSA-N 0 0 436.714 5.022 40 0 IKABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223420672 557470175 /nfs/dbraw/zinc/47/01/75/557470175.db2.gz HHNBMMYPDGVDMZ-RUZDIDTESA-N 0 0 434.967 5.179 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223422810 557470412 /nfs/dbraw/zinc/47/04/12/557470412.db2.gz VZHKWJRRSPNAQJ-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223429889 557471264 /nfs/dbraw/zinc/47/12/64/557471264.db2.gz QGTQECSRXBSGOQ-RPBOFIJWSA-N 0 0 446.620 5.570 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000223430129 557471317 /nfs/dbraw/zinc/47/13/17/557471317.db2.gz PLNFZZGXCDZPMD-RPBOFIJWSA-N 0 0 440.572 5.054 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000016321407 557472280 /nfs/dbraw/zinc/47/22/80/557472280.db2.gz MUPGYOUGGCYNEX-ZZXKWVIFSA-N 0 0 436.320 5.222 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000016323247 557472435 /nfs/dbraw/zinc/47/24/35/557472435.db2.gz FQNGCPDGRIFACD-UHFFFAOYSA-N 0 0 433.986 5.139 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(NC(=O)c4ccco4)c3)o2)cc1Cl ZINC000016346768 557472446 /nfs/dbraw/zinc/47/24/46/557472446.db2.gz LPFJHWBQZWSULY-ZRDIBKRKSA-N 0 0 446.890 6.406 40 0 IKABRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000016362405 557472451 /nfs/dbraw/zinc/47/24/51/557472451.db2.gz QEYCMCVWVFGUKD-UHFFFAOYSA-N 0 0 438.336 5.303 40 0 IKABRN Cc1ccc2nc(-c3ccc(CNC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)oc2c1 ZINC000016348585 557472487 /nfs/dbraw/zinc/47/24/87/557472487.db2.gz LIINSITVRLTUAB-UHFFFAOYSA-N 0 0 434.923 5.930 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000016323145 557472502 /nfs/dbraw/zinc/47/25/02/557472502.db2.gz NSNILTKXASDXNU-UHFFFAOYSA-N 0 0 441.358 6.796 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223442724 557472541 /nfs/dbraw/zinc/47/25/41/557472541.db2.gz VQPXOFVACLIUOO-ZEQRLZLVSA-N 0 0 432.593 5.180 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl ZINC000223442834 557472589 /nfs/dbraw/zinc/47/25/89/557472589.db2.gz RHSFCYOOZOIUDG-OAQYLSRUSA-N 0 0 432.967 5.134 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223443365 557472797 /nfs/dbraw/zinc/47/27/97/557472797.db2.gz OKXOBVHMPFGVKP-JWQCQUIFSA-N 0 0 440.572 5.054 40 0 IKABRN CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(OC)c(C)c1 ZINC000223450547 557473305 /nfs/dbraw/zinc/47/33/05/557473305.db2.gz PGEWYXPUYMVBTB-LJQANCHMSA-N 0 0 434.374 5.536 40 0 IKABRN O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000016429537 557473351 /nfs/dbraw/zinc/47/33/51/557473351.db2.gz JJLOJARWZWGFPB-UHFFFAOYSA-N 0 0 433.714 6.225 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1cccnc1 ZINC000223453567 557473888 /nfs/dbraw/zinc/47/38/88/557473888.db2.gz UJMKCUDFOVPCMN-GOTSBHOMSA-N 0 0 445.979 5.093 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCCC1 ZINC000223457325 557474335 /nfs/dbraw/zinc/47/43/35/557474335.db2.gz GBUOEEQGWLECOW-LOSJGSFVSA-N 0 0 445.636 5.573 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCCC1 ZINC000223457290 557474384 /nfs/dbraw/zinc/47/43/84/557474384.db2.gz GBUOEEQGWLECOW-RPBOFIJWSA-N 0 0 445.636 5.573 40 0 IKABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1SCc1ccccc1 ZINC000223469864 557475551 /nfs/dbraw/zinc/47/55/51/557475551.db2.gz UMUVGOPYGOFYTC-UHFFFAOYSA-N 0 0 437.977 6.403 40 0 IKABRN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000223470748 557475909 /nfs/dbraw/zinc/47/59/09/557475909.db2.gz HRSASTVGXYXBND-SFHVURJKSA-N 0 0 433.423 6.008 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1C ZINC000223472886 557476021 /nfs/dbraw/zinc/47/60/21/557476021.db2.gz NEOGCLBSZXSKHU-RPBOFIJWSA-N 0 0 439.588 5.057 40 0 IKABRN Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 ZINC000223474483 557476280 /nfs/dbraw/zinc/47/62/80/557476280.db2.gz LXDUHYCTECJHLA-PKTZIBPZSA-N 0 0 430.508 5.048 40 0 IKABRN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc(Cl)cc1 ZINC000017083455 557476370 /nfs/dbraw/zinc/47/63/70/557476370.db2.gz CBGLBPNBMCVUPO-QHCPKHFHSA-N 0 0 426.299 5.001 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000017096508 557476610 /nfs/dbraw/zinc/47/66/10/557476610.db2.gz SJIJLPLEVFVJHM-UHFFFAOYSA-N 0 0 429.501 5.120 40 0 IKABRN Cc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)c1 ZINC000017096519 557476614 /nfs/dbraw/zinc/47/66/14/557476614.db2.gz DZHIZLWTHDVNKN-UHFFFAOYSA-N 0 0 429.501 5.120 40 0 IKABRN Cc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000017096522 557476839 /nfs/dbraw/zinc/47/68/39/557476839.db2.gz LVWRLTDKRMUGLE-UHFFFAOYSA-N 0 0 429.501 5.120 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 ZINC000017096593 557476871 /nfs/dbraw/zinc/47/68/71/557476871.db2.gz KVFBYWLVBLOTAQ-UHFFFAOYSA-N 0 0 429.545 5.855 40 0 IKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccco4)cc3n2)c(C)c1 ZINC000017096551 557476884 /nfs/dbraw/zinc/47/68/84/557476884.db2.gz WBSVFADGBPGREV-ZRDIBKRKSA-N 0 0 429.524 5.128 40 0 IKABRN CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3Cl)nc2c1 ZINC000017096727 557477457 /nfs/dbraw/zinc/47/74/57/557477457.db2.gz SINKUOKKHBMURN-UHFFFAOYSA-N 0 0 429.973 6.131 40 0 IKABRN COc1cc2c(cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(C)cc1C)CCCC2 ZINC000223482720 557477518 /nfs/dbraw/zinc/47/75/18/557477518.db2.gz VDVFYKAPTCGPRH-AREMUKBSSA-N 0 0 435.589 5.259 40 0 IKABRN CN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2Cl)CC1 ZINC000017096779 557477671 /nfs/dbraw/zinc/47/76/71/557477671.db2.gz YSMSIZZCCACBDG-UHFFFAOYSA-N 0 0 430.335 5.258 40 0 IKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1cc(C)cc(C)c1 ZINC000017096932 557477851 /nfs/dbraw/zinc/47/78/51/557477851.db2.gz BOEKNNMRWZYSDO-UHFFFAOYSA-N 0 0 430.504 5.755 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223486422 557478087 /nfs/dbraw/zinc/47/80/87/557478087.db2.gz MYUJKHCNCPQMPR-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000017097044 557478092 /nfs/dbraw/zinc/47/80/92/557478092.db2.gz BQHSIHJAXZPMOP-UHFFFAOYSA-N 0 0 430.533 5.448 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 ZINC000017096947 557478104 /nfs/dbraw/zinc/47/81/04/557478104.db2.gz HBEXGXPMTDWWEO-KRWDZBQOSA-N 0 0 430.504 6.034 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000017097137 557478110 /nfs/dbraw/zinc/47/81/10/557478110.db2.gz JJZLTTVLHNPPAJ-QGZVFWFLSA-N 0 0 430.573 6.803 40 0 IKABRN COc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1OC ZINC000017097022 557478116 /nfs/dbraw/zinc/47/81/16/557478116.db2.gz GNAKZIWMAYMUGL-UHFFFAOYSA-N 0 0 430.529 5.598 40 0 IKABRN Cc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 ZINC000223485523 557478138 /nfs/dbraw/zinc/47/81/38/557478138.db2.gz ZSJSDRDEQAPFTH-RUZDIDTESA-N 0 0 432.539 5.176 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 ZINC000017097141 557478295 /nfs/dbraw/zinc/47/82/95/557478295.db2.gz XNALGOFWWWYRGY-KRWDZBQOSA-N 0 0 430.573 6.803 40 0 IKABRN COc1cc(NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)c1ccccc1Cl ZINC000017097222 557478367 /nfs/dbraw/zinc/47/83/67/557478367.db2.gz MRWXUYSBEGFRMJ-UHFFFAOYSA-N 0 0 430.891 6.006 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000017097197 557478379 /nfs/dbraw/zinc/47/83/79/557478379.db2.gz VUTGSVKTFBTQOI-UHFFFAOYSA-N 0 0 430.715 5.458 40 0 IKABRN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017097256 557478536 /nfs/dbraw/zinc/47/85/36/557478536.db2.gz ILGVYYZXCQEYDD-UHFFFAOYSA-N 0 0 430.923 5.778 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccncc1 ZINC000223489301 557478564 /nfs/dbraw/zinc/47/85/64/557478564.db2.gz GCBXQDIDRJONSN-GOTSBHOMSA-N 0 0 445.979 5.093 40 0 IKABRN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000017097255 557478574 /nfs/dbraw/zinc/47/85/74/557478574.db2.gz KOEZIPVMOHQHHX-UHFFFAOYSA-N 0 0 430.923 5.778 40 0 IKABRN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccc(OCc2ccccc2)c1 ZINC000017097419 557478759 /nfs/dbraw/zinc/47/87/59/557478759.db2.gz BCWUIORPIHWTTC-UHFFFAOYSA-N 0 0 431.344 5.699 40 0 IKABRN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017097381 557478761 /nfs/dbraw/zinc/47/87/61/557478761.db2.gz ZNOHUUXOYXIWKR-UHFFFAOYSA-N 0 0 431.319 5.338 40 0 IKABRN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000017097395 557478800 /nfs/dbraw/zinc/47/88/00/557478800.db2.gz POTYEVCQGXNGTJ-UHFFFAOYSA-N 0 0 431.344 5.699 40 0 IKABRN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000017097378 557478803 /nfs/dbraw/zinc/47/88/03/557478803.db2.gz SSCJLLSHVVIYQW-UHFFFAOYSA-N 0 0 431.319 6.634 40 0 IKABRN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000017097399 557478817 /nfs/dbraw/zinc/47/88/17/557478817.db2.gz VBFXWCUZPSSTBQ-UHFFFAOYSA-N 0 0 431.344 5.699 40 0 IKABRN COc1ccc(C2=Nc3c(-c4ccc(F)cc4)c(C)nn3[C@H](c3ccco3)C2)cc1OC ZINC000017097473 557478997 /nfs/dbraw/zinc/47/89/97/557478997.db2.gz JLZYWFOFQQPUMK-FQEVSTJZSA-N 0 0 431.467 5.722 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1 ZINC000017097535 557479198 /nfs/dbraw/zinc/47/91/98/557479198.db2.gz PXXSJZLIRKFXCT-UHFFFAOYSA-N 0 0 431.517 5.193 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3O)nc2c1 ZINC000017097560 557479217 /nfs/dbraw/zinc/47/92/17/557479217.db2.gz QJNOAXSJXOJRCV-UHFFFAOYSA-N 0 0 431.517 5.198 40 0 IKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4)ccc3O)nc2c1 ZINC000017097568 557479513 /nfs/dbraw/zinc/47/95/13/557479513.db2.gz GKLVSTNRMIVLQZ-UHFFFAOYSA-N 0 0 431.517 5.198 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 ZINC000017097578 557479566 /nfs/dbraw/zinc/47/95/66/557479566.db2.gz QEGBEVMZMYTPML-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)c(C)n3)o2)cc1Cl ZINC000017097705 557479723 /nfs/dbraw/zinc/47/97/23/557479723.db2.gz ZEBMRJKTRYJTOJ-UXBLZVDNSA-N 0 0 431.717 6.026 40 0 IKABRN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000017097719 557479756 /nfs/dbraw/zinc/47/97/56/557479756.db2.gz MMHXUEPJZIZKDP-UHFFFAOYSA-N 0 0 431.897 5.079 40 0 IKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Cl ZINC000017097771 557479935 /nfs/dbraw/zinc/47/99/35/557479935.db2.gz YRMDGTSNFPWVIR-OAHLLOKOSA-N 0 0 431.989 5.244 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000017097776 557480033 /nfs/dbraw/zinc/48/00/33/557480033.db2.gz PUZMSKBLJMABCQ-UHFFFAOYSA-N 0 0 431.989 5.020 40 0 IKABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000017097918 557480146 /nfs/dbraw/zinc/48/01/46/557480146.db2.gz CWGFLVZRLKOHQT-UHFFFAOYSA-N 0 0 432.476 5.034 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c(F)c1F ZINC000017097881 557480206 /nfs/dbraw/zinc/48/02/06/557480206.db2.gz AQELNOJBMDXHSO-UHFFFAOYSA-N 0 0 432.398 5.781 40 0 IKABRN CCCCOc1cccc(C(=O)N(Cc2cccnc2)c2ccc(C(=O)OCC)cc2)c1 ZINC000017097988 557480413 /nfs/dbraw/zinc/48/04/13/557480413.db2.gz HFFMZSNHZQLTEE-UHFFFAOYSA-N 0 0 432.520 5.284 40 0 IKABRN COc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1 ZINC000017097921 557480460 /nfs/dbraw/zinc/48/04/60/557480460.db2.gz WKJYLNBPJXCSRL-UHFFFAOYSA-N 0 0 432.476 5.146 40 0 IKABRN CCCCOc1cccc(C(=O)N(Cc2ccncc2)c2ccc(C(=O)OCC)cc2)c1 ZINC000017097994 557480477 /nfs/dbraw/zinc/48/04/77/557480477.db2.gz BPQYIFWLQUGAAU-UHFFFAOYSA-N 0 0 432.520 5.284 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000017097950 557480498 /nfs/dbraw/zinc/48/04/98/557480498.db2.gz LPZNOGKGHHKNKW-INIZCTEOSA-N 0 0 432.499 5.399 40 0 IKABRN CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017098347 557480830 /nfs/dbraw/zinc/48/08/30/557480830.db2.gz OAVSYFOOIQIWSS-UHFFFAOYSA-N 0 0 433.360 6.251 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccncc1 ZINC000223511089 557480923 /nfs/dbraw/zinc/48/09/23/557480923.db2.gz NUPPNEKTQYMSAG-DHIUTWEWSA-N 0 0 444.585 5.394 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000017098547 557481497 /nfs/dbraw/zinc/48/14/97/557481497.db2.gz AZDCHDUPYSUXBC-UHFFFAOYSA-N 0 0 433.558 5.407 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc3ccc(F)cc3s2)c1Cl ZINC000017098634 557481588 /nfs/dbraw/zinc/48/15/88/557481588.db2.gz VJZHSHVTIBDJTH-UHFFFAOYSA-N 0 0 433.719 6.030 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccs2)cc1 ZINC000017098759 557481846 /nfs/dbraw/zinc/48/18/46/557481846.db2.gz CVTWGNNFIPYJGN-UHFFFAOYSA-N 0 0 434.344 6.079 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c(F)c1F ZINC000017098752 557481863 /nfs/dbraw/zinc/48/18/63/557481863.db2.gz ZQXCIUOXQNJOLV-UHFFFAOYSA-N 0 0 434.320 5.451 40 0 IKABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2Cl)CC1 ZINC000017098768 557481876 /nfs/dbraw/zinc/48/18/76/557481876.db2.gz UMOUCKVVEZEUDG-UHFFFAOYSA-N 0 0 434.367 5.003 40 0 IKABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000017098926 557481921 /nfs/dbraw/zinc/48/19/21/557481921.db2.gz IZFPUBNVNPMEDE-UHFFFAOYSA-N 0 0 434.517 5.719 40 0 IKABRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000017099077 557481991 /nfs/dbraw/zinc/48/19/91/557481991.db2.gz MMIGQYIGGHHAQM-QGZVFWFLSA-N 0 0 434.561 5.612 40 0 IKABRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000017099084 557482247 /nfs/dbraw/zinc/48/22/47/557482247.db2.gz XEVKCYORRNGUOL-QGZVFWFLSA-N 0 0 434.561 5.612 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 ZINC000017099257 557482395 /nfs/dbraw/zinc/48/23/95/557482395.db2.gz DANPJRXQSAMHIK-INIZCTEOSA-N 0 0 434.923 6.679 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 ZINC000017099258 557482403 /nfs/dbraw/zinc/48/24/03/557482403.db2.gz LZUYJEWWGOIPJW-MRXNPFEDSA-N 0 0 434.923 6.679 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)c1 ZINC000017099261 557482435 /nfs/dbraw/zinc/48/24/35/557482435.db2.gz HXMMUTVUBFAJAX-UHFFFAOYSA-N 0 0 434.923 6.561 40 0 IKABRN Cc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1 ZINC000017099294 557482596 /nfs/dbraw/zinc/48/25/96/557482596.db2.gz DUMNBTBCTPIFJC-UHFFFAOYSA-N 0 0 434.927 5.487 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 ZINC000017099284 557482618 /nfs/dbraw/zinc/48/26/18/557482618.db2.gz HHUWVVJMJUJBQV-MRXNPFEDSA-N 0 0 434.923 6.679 40 0 IKABRN O=C(Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1)c1ccccc1Cl ZINC000017099405 557483030 /nfs/dbraw/zinc/48/30/30/557483030.db2.gz QJYHEGNDLRCARS-UHFFFAOYSA-N 0 0 435.310 6.651 40 0 IKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4F)ccc3O)nc2c1 ZINC000017099501 557483062 /nfs/dbraw/zinc/48/30/62/557483062.db2.gz KHJWESLOIHJCOF-UHFFFAOYSA-N 0 0 435.480 5.029 40 0 IKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000017099521 557483213 /nfs/dbraw/zinc/48/32/13/557483213.db2.gz ZVWIAIQNIAUBBW-UHFFFAOYSA-N 0 0 435.483 6.030 40 0 IKABRN CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000223540254 557483257 /nfs/dbraw/zinc/48/32/57/557483257.db2.gz DVUQMXFTOYAVAI-IBGZPJMESA-N 0 0 436.577 5.158 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000223540305 557483280 /nfs/dbraw/zinc/48/32/80/557483280.db2.gz MUTZJVYHKIVROI-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1 ZINC000017099820 557483474 /nfs/dbraw/zinc/48/34/74/557483474.db2.gz PNOVXXYEKMAQKL-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cccs1 ZINC000017099666 557483525 /nfs/dbraw/zinc/48/35/25/557483525.db2.gz YTSGVKIXHQXGDX-UHFFFAOYSA-N 0 0 435.574 6.115 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 ZINC000017099850 557483636 /nfs/dbraw/zinc/48/36/36/557483636.db2.gz BTLQURDKPUMSKE-UHFFFAOYSA-N 0 0 435.936 5.837 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1 ZINC000017099839 557483738 /nfs/dbraw/zinc/48/37/38/557483738.db2.gz HFWXJKDSRAWTKM-UHFFFAOYSA-N 0 0 435.936 5.837 40 0 IKABRN CCN(CC)c1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)c(C)c1 ZINC000017100048 557483910 /nfs/dbraw/zinc/48/39/10/557483910.db2.gz XJNDZHUQWKUSQF-YRNVUSSQSA-N 0 0 436.408 5.674 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000017094252 557484131 /nfs/dbraw/zinc/48/41/31/557484131.db2.gz LATAYXMLFSMWNK-UHFFFAOYSA-N 0 0 425.109 6.170 40 0 IKABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1C ZINC000017094258 557484145 /nfs/dbraw/zinc/48/41/45/557484145.db2.gz NIECDHCWYBPZHJ-BQYQJAHWSA-N 0 0 425.120 5.181 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccccc1N1CCCC1 ZINC000017094308 557484184 /nfs/dbraw/zinc/48/41/84/557484184.db2.gz RZBYFUBPTXPBLP-UHFFFAOYSA-N 0 0 425.326 5.463 40 0 IKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)c(C)c1 ZINC000017094256 557484212 /nfs/dbraw/zinc/48/42/12/557484212.db2.gz XYWUOXOHQUIDCX-FPYGCLRLSA-N 0 0 425.120 5.181 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2ccc(C)cc2C)cc1 ZINC000223547871 557484258 /nfs/dbraw/zinc/48/42/58/557484258.db2.gz WJWFKYFRZNJQLF-UHFFFAOYSA-N 0 0 444.641 5.138 40 0 IKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C(N)=O)C1 ZINC000017094340 557484344 /nfs/dbraw/zinc/48/43/44/557484344.db2.gz RBEUSPLPBQFHNE-LLVKDONJSA-N 0 0 425.381 5.557 40 0 IKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)COc1cccc2c1CCCC2 ZINC000223549089 557484386 /nfs/dbraw/zinc/48/43/86/557484386.db2.gz OJTKXLGYKNWAFG-UHFFFAOYSA-N 0 0 437.923 6.037 40 0 IKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 ZINC000017094570 557484607 /nfs/dbraw/zinc/48/46/07/557484607.db2.gz ZCGMGJYNIDZRHC-SFHVURJKSA-N 0 0 425.598 5.371 40 0 IKABRN Cc1cc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)ccc1Cl ZINC000017094603 557484629 /nfs/dbraw/zinc/48/46/29/557484629.db2.gz LHMGEGUGHUSQJT-UHFFFAOYSA-N 0 0 425.695 6.337 40 0 IKABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223550196 557484683 /nfs/dbraw/zinc/48/46/83/557484683.db2.gz KRGVDVCOEJFBGK-HHHXNRCGSA-N 0 0 444.575 5.190 40 0 IKABRN Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 ZINC000223551811 557484925 /nfs/dbraw/zinc/48/49/25/557484925.db2.gz FEOCKSLRNKJUSD-PKTZIBPZSA-N 0 0 430.508 5.048 40 0 IKABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCc2ccc(C)cc2)c2ccccc2)cc1 ZINC000223554723 557485378 /nfs/dbraw/zinc/48/53/78/557485378.db2.gz QZAUNPLGORBANG-SANMLTNESA-N 0 0 444.575 5.046 40 0 IKABRN O=C(NCCOc1cccc2ccccc21)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000223555523 557485494 /nfs/dbraw/zinc/48/54/94/557485494.db2.gz WYPKZIAIVRKYDY-UHFFFAOYSA-N 0 0 440.946 5.040 40 0 IKABRN O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccccc1Br ZINC000017095108 557485436 /nfs/dbraw/zinc/48/54/36/557485436.db2.gz WCWDBXMHSNJCAA-UHFFFAOYSA-N 0 0 426.701 5.898 40 0 IKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000017095169 557485514 /nfs/dbraw/zinc/48/55/14/557485514.db2.gz JMNHTSNANWDKBC-UHFFFAOYSA-N 0 0 426.904 5.252 40 0 IKABRN Cc1cc2nc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)oc2c(C)c1 ZINC000017095177 557485670 /nfs/dbraw/zinc/48/56/70/557485670.db2.gz MTXCSCXDHINWNW-UHFFFAOYSA-N 0 0 426.903 7.171 40 0 IKABRN COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000017095186 557485684 /nfs/dbraw/zinc/48/56/84/557485684.db2.gz UYRZUFXXKDPVQA-UHFFFAOYSA-N 0 0 426.925 5.054 40 0 IKABRN Cc1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000017095206 557485725 /nfs/dbraw/zinc/48/57/25/557485725.db2.gz WHQKZRIJVJHHPT-JXMROGBWSA-N 0 0 426.925 5.449 40 0 IKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1c(C)cc(C)cc1C ZINC000017095241 557485939 /nfs/dbraw/zinc/48/59/39/557485939.db2.gz ZZENBBRCTUSZBP-UHFFFAOYSA-N 0 0 427.136 5.398 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1 ZINC000017095273 557485974 /nfs/dbraw/zinc/48/59/74/557485974.db2.gz ONPWCBLKISZKRX-UHFFFAOYSA-N 0 0 427.287 6.371 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 ZINC000017095405 557486162 /nfs/dbraw/zinc/48/61/62/557486162.db2.gz KCAVNFDGOPKDTN-SFHVURJKSA-N 0 0 427.500 5.991 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1Cl ZINC000017095500 557486336 /nfs/dbraw/zinc/48/63/36/557486336.db2.gz XEBIJNXBYDJGGP-UHFFFAOYSA-N 0 0 427.542 6.588 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1Cl ZINC000017095691 557486475 /nfs/dbraw/zinc/48/64/75/557486475.db2.gz SBUIHBKDSUURJI-UHFFFAOYSA-N 0 0 428.275 5.766 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1Cl ZINC000017095620 557486547 /nfs/dbraw/zinc/48/65/47/557486547.db2.gz WBNGGZNSPCSTFF-UHFFFAOYSA-N 0 0 427.759 5.881 40 0 IKABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000017095646 557486577 /nfs/dbraw/zinc/48/65/77/557486577.db2.gz WCGCLZQDDJQIAV-UHFFFAOYSA-N 0 0 427.913 5.075 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000017095828 557486920 /nfs/dbraw/zinc/48/69/20/557486920.db2.gz QOQRGZOEGIIQAJ-KRWDZBQOSA-N 0 0 428.488 5.018 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 ZINC000017095837 557486998 /nfs/dbraw/zinc/48/69/98/557486998.db2.gz ONDQNCPGYURNRU-MRXNPFEDSA-N 0 0 428.488 6.032 40 0 IKABRN CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000017095834 557487016 /nfs/dbraw/zinc/48/70/16/557487016.db2.gz GCYVGZVYBVFDNV-UHFFFAOYSA-N 0 0 428.488 6.116 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)nc2c1 ZINC000017095956 557487398 /nfs/dbraw/zinc/48/73/98/557487398.db2.gz FXEJILLSOOTZTE-GOSISDBHSA-N 0 0 428.532 7.048 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000017095951 557487428 /nfs/dbraw/zinc/48/74/28/557487428.db2.gz HNDKBKUKHCFNRM-CXUHLZMHSA-N 0 0 428.532 5.628 40 0 IKABRN CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)c1 ZINC000017095995 557487681 /nfs/dbraw/zinc/48/76/81/557487681.db2.gz HAQXNAATIKIISC-UHFFFAOYSA-N 0 0 428.536 5.723 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000017095969 557487712 /nfs/dbraw/zinc/48/77/12/557487712.db2.gz BPPHUBGMPNJDET-KRWDZBQOSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1 ZINC000017095991 557487721 /nfs/dbraw/zinc/48/77/21/557487721.db2.gz XKZXYSPHQTYLRF-GOSISDBHSA-N 0 0 428.536 5.568 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1 ZINC000017095992 557487727 /nfs/dbraw/zinc/48/77/27/557487727.db2.gz XKZXYSPHQTYLRF-SFHVURJKSA-N 0 0 428.536 5.568 40 0 IKABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc([C@@H](C)CC)cc4)cc3n2)cc1 ZINC000017095999 557487754 /nfs/dbraw/zinc/48/77/54/557487754.db2.gz SBXUSMDKNRVWRF-SFHVURJKSA-N 0 0 428.536 5.514 40 0 IKABRN Cc1cc(C)cc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 ZINC000017095997 557487761 /nfs/dbraw/zinc/48/77/61/557487761.db2.gz OUJFCLXOGRWMTI-UHFFFAOYSA-N 0 0 428.536 5.487 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1 ZINC000017096184 557487851 /nfs/dbraw/zinc/48/78/51/557487851.db2.gz ZFZHMBZMERNTIU-UHFFFAOYSA-N 0 0 428.875 6.562 40 0 IKABRN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000017096183 557487905 /nfs/dbraw/zinc/48/79/05/557487905.db2.gz OJOCVLLFZQEPPV-UHFFFAOYSA-N 0 0 428.875 6.338 40 0 IKABRN O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000017096180 557487919 /nfs/dbraw/zinc/48/79/19/557487919.db2.gz GTLFMWZHSPNSLD-UHFFFAOYSA-N 0 0 428.875 6.319 40 0 IKABRN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccccc1Br ZINC000017096149 557487924 /nfs/dbraw/zinc/48/79/24/557487924.db2.gz FOYDIFQZFZMGRG-UHFFFAOYSA-N 0 0 428.673 5.558 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000017096307 557488124 /nfs/dbraw/zinc/48/81/24/557488124.db2.gz JBFLTUGICJFMTJ-UHFFFAOYSA-N 0 0 429.303 5.412 40 0 IKABRN O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc2c(Cl)cccc12 ZINC000017096244 557488126 /nfs/dbraw/zinc/48/81/26/557488126.db2.gz SBIJBHGKQPZPHO-UHFFFAOYSA-N 0 0 428.944 6.191 40 0 IKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)cc1F ZINC000017096270 557488180 /nfs/dbraw/zinc/48/81/80/557488180.db2.gz DCKKHKMJGVALRW-FARCUNLSSA-N 0 0 429.083 5.011 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)sc2c1 ZINC000017096243 557488194 /nfs/dbraw/zinc/48/81/94/557488194.db2.gz XOBLSFFNGDMQTP-UHFFFAOYSA-N 0 0 428.944 7.331 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223577333 557488228 /nfs/dbraw/zinc/48/82/28/557488228.db2.gz DHHBZSJHQZDLSL-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000017096315 557488277 /nfs/dbraw/zinc/48/82/77/557488277.db2.gz AVRWTBBBECPEEL-UHFFFAOYSA-N 0 0 429.303 5.412 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000017096346 557488279 /nfs/dbraw/zinc/48/82/79/557488279.db2.gz CLYKAJIUYFNKBI-UHFFFAOYSA-N 0 0 429.328 6.531 40 0 IKABRN CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000017096313 557488314 /nfs/dbraw/zinc/48/83/14/557488314.db2.gz PGQFWIJISNQNIU-VQHVLOKHSA-N 0 0 429.303 6.254 40 0 IKABRN COc1cc(NC(=O)c2ccc(C)cc2Cl)ccc1NC(=O)c1ccccc1Cl ZINC000017096320 557488326 /nfs/dbraw/zinc/48/83/26/557488326.db2.gz OZQRQYIXIADJAL-UHFFFAOYSA-N 0 0 429.303 5.815 40 0 IKABRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)CC1 ZINC000017096369 557488601 /nfs/dbraw/zinc/48/86/01/557488601.db2.gz XTWYJUUAVPUAAR-UHFFFAOYSA-N 0 0 429.347 6.742 40 0 IKABRN CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000017096363 557488606 /nfs/dbraw/zinc/48/86/06/557488606.db2.gz ZATJQJLKXFAYPP-ZRDIBKRKSA-N 0 0 429.347 6.752 40 0 IKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc2ccccc2c1 ZINC000017100267 557488803 /nfs/dbraw/zinc/48/88/03/557488803.db2.gz FLLSTMSFLPFOMY-UHFFFAOYSA-N 0 0 436.511 7.032 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000017100274 557488851 /nfs/dbraw/zinc/48/88/51/557488851.db2.gz FTHGWWNOWLMSQP-UHFFFAOYSA-N 0 0 436.511 5.772 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000223585158 557489166 /nfs/dbraw/zinc/48/91/66/557489166.db2.gz JJBJDMITYKCJAB-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2C(N)=O)C1 ZINC000017100646 557489285 /nfs/dbraw/zinc/48/92/85/557489285.db2.gz GCEGBNUJMFNNRI-QGZVFWFLSA-N 0 0 436.577 5.169 40 0 IKABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000223588633 557489368 /nfs/dbraw/zinc/48/93/68/557489368.db2.gz ARAIWQZKTFRNCM-JYBCESJWSA-N 0 0 434.561 5.022 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000017100965 557489598 /nfs/dbraw/zinc/48/95/98/557489598.db2.gz RNFWQWYSXVDVQM-UHFFFAOYSA-N 0 0 436.964 6.758 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1Cl ZINC000017100898 557489639 /nfs/dbraw/zinc/48/96/39/557489639.db2.gz YGGFZPOEXYAWAW-UHFFFAOYSA-N 0 0 436.924 5.287 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000017100918 557489648 /nfs/dbraw/zinc/48/96/48/557489648.db2.gz XWBRSPLUUNKINU-UHFFFAOYSA-N 0 0 436.939 6.151 40 0 IKABRN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000017101012 557489847 /nfs/dbraw/zinc/48/98/47/557489847.db2.gz HCIUEABHMIXWSP-UHFFFAOYSA-N 0 0 437.008 7.162 40 0 IKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000017101094 557489862 /nfs/dbraw/zinc/48/98/62/557489862.db2.gz MFDWTUVEZBATMQ-UHFFFAOYSA-N 0 0 437.293 5.827 40 0 IKABRN COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1Br ZINC000017101096 557489865 /nfs/dbraw/zinc/48/98/65/557489865.db2.gz BQHINFIZJQVXKJ-UHFFFAOYSA-N 0 0 437.293 5.196 40 0 IKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1Cl ZINC000017101076 557489869 /nfs/dbraw/zinc/48/98/69/557489869.db2.gz NPMDNKPQYMAJRC-UHFFFAOYSA-N 0 0 437.270 5.538 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223592953 557489853 /nfs/dbraw/zinc/48/98/53/557489853.db2.gz QTUGXZODHZQGDU-HSZRJFAPSA-N 0 0 445.003 5.223 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223591436 557489868 /nfs/dbraw/zinc/48/98/68/557489868.db2.gz GWUJSCPFJXLEAV-VWLOTQADSA-N 0 0 436.640 5.640 40 0 IKABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000223592406 557489880 /nfs/dbraw/zinc/48/98/80/557489880.db2.gz YROHQIWVRPPUAV-UHFFFAOYSA-N 0 0 435.549 5.008 40 0 IKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000017101250 557490073 /nfs/dbraw/zinc/49/00/73/557490073.db2.gz CLGSWKYWAGWRLI-NSHDSACASA-N 0 0 437.417 6.848 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc3o2)c(C)c1 ZINC000017101159 557490107 /nfs/dbraw/zinc/49/01/07/557490107.db2.gz PQMLWGKBTRIEBW-BJMVGYQFSA-N 0 0 437.326 7.070 40 0 IKABRN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc5ccccc5c4)c3)oc2c1 ZINC000017101489 557490319 /nfs/dbraw/zinc/49/03/19/557490319.db2.gz MMPQELCBWAIKSW-UHFFFAOYSA-N 0 0 437.524 6.083 40 0 IKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000223599466 557490333 /nfs/dbraw/zinc/49/03/33/557490333.db2.gz BITGNXVHNNBDSS-VWLOTQADSA-N 0 0 447.962 6.246 40 0 IKABRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1Br ZINC000017101672 557490351 /nfs/dbraw/zinc/49/03/51/557490351.db2.gz WHMXZDMOSPUBKZ-UHFFFAOYSA-N 0 0 437.668 5.248 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000017101798 557490526 /nfs/dbraw/zinc/49/05/26/557490526.db2.gz FRVIRLQOOAKMLZ-UHFFFAOYSA-N 0 0 437.952 5.336 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3O)oc2c1 ZINC000017101745 557490619 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Cc1c(NC(=S)NC(=O)c2ccc3ccccc3c2)cccc1-c1nc2ncccc2o1 ZINC000017102269 557491096 /nfs/dbraw/zinc/49/10/96/557491096.db2.gz MZMXFVSPGJSUJH-UHFFFAOYSA-N 0 0 438.512 5.478 40 0 IKABRN O=C(NC(=S)Nc1ccc2c3c(cccc31)CC2)c1ccc(OCc2ccccc2)cc1 ZINC000017102566 557491257 /nfs/dbraw/zinc/49/12/57/557491257.db2.gz ABNMCWDQSRNTFU-UHFFFAOYSA-N 0 0 438.552 5.644 40 0 IKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000017102786 557491527 /nfs/dbraw/zinc/49/15/27/557491527.db2.gz BKNIWTHHYDDYGP-UHFFFAOYSA-N 0 0 438.890 5.156 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1Cl ZINC000017102820 557491558 /nfs/dbraw/zinc/49/15/58/557491558.db2.gz VEUSKWZNAPGFIG-UHFFFAOYSA-N 0 0 438.914 7.376 40 0 IKABRN CC(=O)c1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000017102847 557491564 /nfs/dbraw/zinc/49/15/64/557491564.db2.gz PQMSOHJDNJOPLD-PKNBQFBNSA-N 0 0 438.936 5.637 40 0 IKABRN COc1ccc(Br)cc1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000017103119 557491806 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/nfs/dbraw/zinc/50/48/63/557504863.db2.gz NCTGNLAWDKZSAW-HNNXBMFYSA-N 0 0 447.535 6.274 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223711659 557504895 /nfs/dbraw/zinc/50/48/95/557504895.db2.gz GDRRHVGXVOMLCV-RUZDIDTESA-N 0 0 436.640 5.507 40 0 IKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000019646494 557505201 /nfs/dbraw/zinc/50/52/01/557505201.db2.gz BVZNLIAKWXBNBM-UHFFFAOYSA-N 0 0 447.604 5.547 40 0 IKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000019646909 557505422 /nfs/dbraw/zinc/50/54/22/557505422.db2.gz LOELDACDXLVZLR-UHFFFAOYSA-N 0 0 448.364 5.796 40 0 IKABRN COc1ccc(/C=C(/C(=O)Nc2nnc(SCC(C)C)s2)c2ccccc2)cc1 ZINC000223716709 557505557 /nfs/dbraw/zinc/50/55/57/557505557.db2.gz IYNRLIUKTUFXBS-CPNJWEJPSA-N 0 0 425.579 5.474 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4Cl)nc3c2)cc1 ZINC000019648252 557505581 /nfs/dbraw/zinc/50/55/81/557505581.db2.gz LUEPZDYBXMJDJH-KRWDZBQOSA-N 0 0 448.950 6.988 40 0 IKABRN COc1cccc([C@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 ZINC000019648199 557505649 /nfs/dbraw/zinc/50/56/49/557505649.db2.gz NKAKSAOYTKQBOL-OAQYLSRUSA-N 0 0 448.931 5.435 40 0 IKABRN COc1cccc([C@@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 ZINC000019648196 557505656 /nfs/dbraw/zinc/50/56/56/557505656.db2.gz NKAKSAOYTKQBOL-NRFANRHFSA-N 0 0 448.931 5.435 40 0 IKABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2s1 ZINC000019647794 557505675 /nfs/dbraw/zinc/50/56/75/557505675.db2.gz DPQDOFISBSVIEW-UHFFFAOYSA-N 0 0 448.573 5.315 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223718141 557505756 /nfs/dbraw/zinc/50/57/56/557505756.db2.gz YIDOYCHMZASEET-OAQYLSRUSA-N 0 0 449.422 5.301 40 0 IKABRN CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000223717719 557505763 /nfs/dbraw/zinc/50/57/63/557505763.db2.gz DAEUUWUKSSPROW-UHFFFAOYSA-N 0 0 446.994 5.184 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1 ZINC000019648284 557505844 /nfs/dbraw/zinc/50/58/44/557505844.db2.gz FGQPHAKHRFMUKW-QGZVFWFLSA-N 0 0 448.950 6.988 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(F)c(Cl)c3)o2)cc1Cl ZINC000019648589 557505847 /nfs/dbraw/zinc/50/58/47/557505847.db2.gz JGXXQVUAVDPHEX-RMKNXTFCSA-N 0 0 449.334 6.227 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)cc1 ZINC000019648313 557505862 /nfs/dbraw/zinc/50/58/62/557505862.db2.gz JKPNQECRHPFTJD-INIZCTEOSA-N 0 0 448.954 5.913 40 0 IKABRN CC(C)(C)c1ccccc1OCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000223720395 557506080 /nfs/dbraw/zinc/50/60/80/557506080.db2.gz MLGWQCISGCDOJP-UHFFFAOYSA-N 0 0 437.967 6.025 40 0 IKABRN Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223720860 557506107 /nfs/dbraw/zinc/50/61/07/557506107.db2.gz VJHZIUIXGZSORO-OAQYLSRUSA-N 0 0 438.637 5.013 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223721259 557506197 /nfs/dbraw/zinc/50/61/97/557506197.db2.gz ZPDSYXAAWOMBTL-GOSISDBHSA-N 0 0 445.028 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5.260 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223746466 557508373 /nfs/dbraw/zinc/50/83/73/557508373.db2.gz IFOBVGUMZDHBNG-JOCHJYFZSA-N 0 0 449.422 5.568 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223746193 557508407 /nfs/dbraw/zinc/50/84/07/557508407.db2.gz UVWLXMUTGCQWMI-JOCHJYFZSA-N 0 0 449.422 5.568 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 ZINC000223746823 557508645 /nfs/dbraw/zinc/50/86/45/557508645.db2.gz KWYVRBPCIXRANO-MSOLQXFVSA-N 0 0 446.395 5.091 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000223753120 557509098 /nfs/dbraw/zinc/50/90/98/557509098.db2.gz OSSPWNLPRXAZHD-LOSJGSFVSA-N 0 0 440.572 5.366 40 0 IKABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000019855849 557509249 /nfs/dbraw/zinc/50/92/49/557509249.db2.gz XCZHYESHPGPZGT-UHFFFAOYSA-N 0 0 449.359 5.212 40 0 IKABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 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LQSVEVZKZZOACA-DQEYMECFSA-N 0 0 440.572 5.366 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000223770350 557511034 /nfs/dbraw/zinc/51/10/34/557511034.db2.gz DUEITXJKYKTEMA-ZEQRLZLVSA-N 0 0 444.535 5.197 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 ZINC000223770271 557511039 /nfs/dbraw/zinc/51/10/39/557511039.db2.gz BVQPCCSHSZEDGS-DNQXCXABSA-N 0 0 444.535 5.197 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000019946287 557511086 /nfs/dbraw/zinc/51/10/86/557511086.db2.gz LCWSFQBFVRIZNM-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019946349 557511105 /nfs/dbraw/zinc/51/11/05/557511105.db2.gz MLDMHLCKIHGZHI-UHFFFAOYSA-N 0 0 436.577 5.261 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000223774932 557511570 /nfs/dbraw/zinc/51/15/70/557511570.db2.gz RFNKLZXGZNTELG-RPWUZVMVSA-N 0 0 445.519 5.666 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223779823 557512207 /nfs/dbraw/zinc/51/22/07/557512207.db2.gz YOTPJFRIBXHCFV-DNQXCXABSA-N 0 0 432.593 5.574 40 0 IKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223779775 557512224 /nfs/dbraw/zinc/51/22/24/557512224.db2.gz SYGSLCJMIVTFBE-HNNXBMFYSA-N 0 0 439.408 5.029 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223780259 557512227 /nfs/dbraw/zinc/51/22/27/557512227.db2.gz ZOROMJNDKQMGLJ-LJQANCHMSA-N 0 0 447.044 5.134 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223779731 557512235 /nfs/dbraw/zinc/51/22/35/557512235.db2.gz YOTPJFRIBXHCFV-RPWUZVMVSA-N 0 0 432.593 5.574 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)ccc1C ZINC000223782714 557512442 /nfs/dbraw/zinc/51/24/42/557512442.db2.gz PLLXHFBGUNMPRJ-JOCHJYFZSA-N 0 0 445.003 5.059 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223780612 557512480 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557520510 /nfs/dbraw/zinc/52/05/10/557520510.db2.gz SILCAQFWSFVNHM-VGSWGCGISA-N 0 0 449.422 5.648 40 0 IKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223849720 557520787 /nfs/dbraw/zinc/52/07/87/557520787.db2.gz VHILDPHJSNQNPK-GOTSBHOMSA-N 0 0 446.963 5.408 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)cc1OC ZINC000020412342 557520788 /nfs/dbraw/zinc/52/07/88/557520788.db2.gz AZMSTJVDZXAAFN-UHFFFAOYSA-N 0 0 446.547 6.057 40 0 IKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000020412109 557520828 /nfs/dbraw/zinc/52/08/28/557520828.db2.gz XZZVAPXKMJXUGO-UHFFFAOYSA-N 0 0 429.516 6.007 40 0 IKABRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223850381 557520830 /nfs/dbraw/zinc/52/08/30/557520830.db2.gz OWDWABFMVXRGTG-ZEQRLZLVSA-N 0 0 426.545 5.063 40 0 IKABRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223850322 557520841 /nfs/dbraw/zinc/52/08/41/557520841.db2.gz OWDWABFMVXRGTG-BJKOFHAPSA-N 0 0 426.545 5.063 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223851595 557520949 /nfs/dbraw/zinc/52/09/49/557520949.db2.gz QTMRFGXKYOVZSI-LJQANCHMSA-N 0 0 426.988 5.057 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1 ZINC000020411246 557520932 /nfs/dbraw/zinc/52/09/32/557520932.db2.gz QRPCTFTWSAUALA-UHFFFAOYSA-N 0 0 425.282 6.226 40 0 IKABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000020412487 557520963 /nfs/dbraw/zinc/52/09/63/557520963.db2.gz FXNFHFYCBAWHGJ-UHFFFAOYSA-N 0 0 442.003 5.194 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2)cc1 ZINC000020411251 557520978 /nfs/dbraw/zinc/52/09/78/557520978.db2.gz DCARRPDSEWWVDE-UHFFFAOYSA-N 0 0 446.959 7.739 40 0 IKABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000195528916 557521217 /nfs/dbraw/zinc/52/12/17/557521217.db2.gz FDBXCQIAUYDMBI-HGUFUWKXSA-N 0 0 430.481 5.487 40 0 IKABRN O=C(NCCOC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000003068143 557523250 /nfs/dbraw/zinc/52/32/50/557523250.db2.gz APTVREZGSDEOEK-UHFFFAOYSA-N 0 0 437.110 5.670 40 0 IKABRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1c(Cl)cccc1Cl ZINC000003267568 557523771 /nfs/dbraw/zinc/52/37/71/557523771.db2.gz OHVGJHMWMIXAHM-UHFFFAOYSA-N 0 0 434.344 6.459 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C1CC1 ZINC000223888511 557525329 /nfs/dbraw/zinc/52/53/29/557525329.db2.gz YZCXZLRFDLZEQK-BJKOFHAPSA-N 0 0 431.609 5.078 40 0 IKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cn3ccnc3)cc2)c1 ZINC000223888933 557525528 /nfs/dbraw/zinc/52/55/28/557525528.db2.gz NOJVCPXMOFOEKL-UHFFFAOYSA-N 0 0 433.895 5.638 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C(C)C ZINC000223892550 557526153 /nfs/dbraw/zinc/52/61/53/557526153.db2.gz WQBWKDLKFJONJH-ZEQRLZLVSA-N 0 0 433.625 5.324 40 0 IKABRN C[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223897573 557526548 /nfs/dbraw/zinc/52/65/48/557526548.db2.gz KTEHDDXWHGTORP-CQSZACIVSA-N 0 0 442.924 5.033 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223903199 557526897 /nfs/dbraw/zinc/52/68/97/557526897.db2.gz BJCGCNRZYHJYGK-IIBYNOLFSA-N 0 0 435.395 5.258 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223903311 557527004 /nfs/dbraw/zinc/52/70/04/557527004.db2.gz ZKFQDAVHELNBNY-HTAPYJJXSA-N 0 0 449.422 5.648 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223904289 557527164 /nfs/dbraw/zinc/52/71/64/557527164.db2.gz BKIWSKYHHCYGAJ-DQEYMECFSA-N 0 0 445.636 5.631 40 0 IKABRN Cc1nc(NC(=S)NCc2ccc(-c3ccccc3)o2)c(Br)cc1Cl ZINC000223908807 557527674 /nfs/dbraw/zinc/52/76/74/557527674.db2.gz CJNAACNQTSFHEH-UHFFFAOYSA-N 0 0 436.762 5.553 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223913365 557528094 /nfs/dbraw/zinc/52/80/94/557528094.db2.gz BDYHVAZCVRVSPC-INIZCTEOSA-N 0 0 435.395 5.042 40 0 IKABRN Cc1c(Cl)cnc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)c1Cl ZINC000223914207 557528109 /nfs/dbraw/zinc/52/81/09/557528109.db2.gz FTKQODYZBRMELI-UHFFFAOYSA-N 0 0 426.756 6.097 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223913501 557528114 /nfs/dbraw/zinc/52/81/14/557528114.db2.gz FOFQVLBEOBHQNC-KRWDZBQOSA-N 0 0 449.422 5.603 40 0 IKABRN Cc1cc(Br)cnc1NC(=S)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000223914840 557528281 /nfs/dbraw/zinc/52/82/81/557528281.db2.gz WLWQWORZBKDWSZ-UHFFFAOYSA-N 0 0 436.762 5.553 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000223914952 557528382 /nfs/dbraw/zinc/52/83/82/557528382.db2.gz CGNQVUJPKRZPKB-CQSZACIVSA-N 0 0 441.786 5.133 40 0 IKABRN Cc1cccc(Nc2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)c1 ZINC000223917543 557528546 /nfs/dbraw/zinc/52/85/46/557528546.db2.gz KRVBAASLVYLHDJ-UHFFFAOYSA-N 0 0 448.979 6.534 40 0 IKABRN CN(c1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223918172 557528786 /nfs/dbraw/zinc/52/87/86/557528786.db2.gz SQJRCRDCFKVULS-UHFFFAOYSA-N 0 0 437.005 5.110 40 0 IKABRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C(C)(C)C)cc1 ZINC000223922869 557529577 /nfs/dbraw/zinc/52/95/77/557529577.db2.gz XRHYCDOPRVKLOE-GOSISDBHSA-N 0 0 436.577 5.276 40 0 IKABRN CC(C)[C@@H](O)[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000003864903 557529798 /nfs/dbraw/zinc/52/97/98/557529798.db2.gz ITBZCTBEJMCLOU-LUVQKMASSA-N 0 0 430.610 7.109 40 0 IKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F ZINC000003865101 557529948 /nfs/dbraw/zinc/52/99/48/557529948.db2.gz KVALJVQIKPOBBW-TYDKAVGKSA-N 0 0 447.531 5.964 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)(C)C ZINC000004079182 557530423 /nfs/dbraw/zinc/53/04/23/557530423.db2.gz MFXRPKFYWKDYMI-SNVCHVKOSA-N 0 0 444.637 7.499 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000223933854 557530765 /nfs/dbraw/zinc/53/07/65/557530765.db2.gz TUKMFVSJFWLJFF-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223939496 557531583 /nfs/dbraw/zinc/53/15/83/557531583.db2.gz XBFLGECJEIWDDS-KRWDZBQOSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000223940127 557531683 /nfs/dbraw/zinc/53/16/83/557531683.db2.gz WTLWBADHDKOHAW-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCC1 ZINC000223939543 557531737 /nfs/dbraw/zinc/53/17/37/557531737.db2.gz XBFLGECJEIWDDS-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000223942586 557531786 /nfs/dbraw/zinc/53/17/86/557531786.db2.gz UUSBVIYJKNHHEV-XMMPIXPASA-N 0 0 436.577 5.313 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000223943344 557532110 /nfs/dbraw/zinc/53/21/10/557532110.db2.gz QOVCXMCTHPBSHR-QGZVFWFLSA-N 0 0 447.406 5.402 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)c(C)c1 ZINC000223945015 557532132 /nfs/dbraw/zinc/53/21/32/557532132.db2.gz UJMGLRLJLOZBMR-HSZRJFAPSA-N 0 0 436.577 5.294 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2C)C(C)C)c1 ZINC000223945701 557532381 /nfs/dbraw/zinc/53/23/81/557532381.db2.gz ZYBPESSKJQPYRL-XMMPIXPASA-N 0 0 436.577 5.231 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2C)C(C)C)c1 ZINC000223945760 557532492 /nfs/dbraw/zinc/53/24/92/557532492.db2.gz ZYBPESSKJQPYRL-DEOSSOPVSA-N 0 0 436.577 5.231 40 0 IKABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 ZINC000223951967 557533147 /nfs/dbraw/zinc/53/31/47/557533147.db2.gz LKRHSJCZSDYTDX-VNLJKWRZSA-N 0 0 446.572 5.030 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](CC(C)C)c3ccccc3)c2)c1 ZINC000223950667 557533191 /nfs/dbraw/zinc/53/31/91/557533191.db2.gz RZLRDISALURGRF-XMMPIXPASA-N 0 0 436.577 5.313 40 0 IKABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)c(C)c1 ZINC000223952579 557533493 /nfs/dbraw/zinc/53/34/93/557533493.db2.gz GGHJCLZBWKCTCT-DEOSSOPVSA-N 0 0 436.577 5.294 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 ZINC000223954231 557533820 /nfs/dbraw/zinc/53/38/20/557533820.db2.gz ZCQBXJXPZYSDMP-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223954115 557533851 /nfs/dbraw/zinc/53/38/51/557533851.db2.gz DWBJKNGQZBBIAO-QGZVFWFLSA-N 0 0 433.986 5.588 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(CC)cc1 ZINC000223957602 557534304 /nfs/dbraw/zinc/53/43/04/557534304.db2.gz YZWFJTKSTFAKAD-MRXNPFEDSA-N 0 0 435.395 5.042 40 0 IKABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)cc1C ZINC000223959214 557534503 /nfs/dbraw/zinc/53/45/03/557534503.db2.gz QYXJBKJYVDGGJY-DEOSSOPVSA-N 0 0 436.577 5.294 40 0 IKABRN CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223960704 557534847 /nfs/dbraw/zinc/53/48/47/557534847.db2.gz GLIHESMPKKBUMH-VGOFRKELSA-N 0 0 449.422 5.648 40 0 IKABRN CCN1c2cc(F)c(F)cc2N[C@H]2C(C(=O)OC3CCC(C(C)(C)C)CC3)=C(C)O[C@H]21 ZINC000027062564 557535156 /nfs/dbraw/zinc/53/51/56/557535156.db2.gz XJHWBHNGPXTZCD-PUPHMTLISA-N 0 0 434.527 5.364 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223969398 557536383 /nfs/dbraw/zinc/53/63/83/557536383.db2.gz TWNQVOHWYGQCRP-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccc(C)cc1C ZINC000223969661 557536417 /nfs/dbraw/zinc/53/64/17/557536417.db2.gz SNRUVIXHWIFUAG-HSZRJFAPSA-N 0 0 440.540 5.124 40 0 IKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223970430 557536598 /nfs/dbraw/zinc/53/65/98/557536598.db2.gz CMXRFOSQRMXVAQ-ZEQRLZLVSA-N 0 0 447.608 5.216 40 0 IKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223970479 557536601 /nfs/dbraw/zinc/53/66/01/557536601.db2.gz CMXRFOSQRMXVAQ-RPWUZVMVSA-N 0 0 447.608 5.216 40 0 IKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223970581 557536687 /nfs/dbraw/zinc/53/66/87/557536687.db2.gz CMXRFOSQRMXVAQ-DNQXCXABSA-N 0 0 447.608 5.216 40 0 IKABRN Cc1c(Br)cnc(NC(=S)NCC2(c3ccccc3)CCCC2)c1Cl ZINC000223972000 557536907 /nfs/dbraw/zinc/53/69/07/557536907.db2.gz DJLMOQAYWXFPKA-UHFFFAOYSA-N 0 0 438.822 5.604 40 0 IKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2CCc3ccccc3C2)nc1 ZINC000223974313 557537241 /nfs/dbraw/zinc/53/72/41/557537241.db2.gz ZKAPUGHJIXPLEL-UHFFFAOYSA-N 0 0 442.632 5.443 40 0 IKABRN CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000223975345 557537575 /nfs/dbraw/zinc/53/75/75/557537575.db2.gz KGLXLUGMVGEETJ-UHFFFAOYSA-N 0 0 432.954 5.115 40 0 IKABRN Cc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000223976722 557537699 /nfs/dbraw/zinc/53/76/99/557537699.db2.gz CJNSOFKOEJLHAK-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223976816 557537785 /nfs/dbraw/zinc/53/77/85/557537785.db2.gz BZKHNKUZJCGHHE-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(C)cc1 ZINC000223978205 557537972 /nfs/dbraw/zinc/53/79/72/557537972.db2.gz PTEGXZIBPJMSCM-QFIPXVFZSA-N 0 0 442.968 5.330 40 0 IKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000223978774 557538297 /nfs/dbraw/zinc/53/82/97/557538297.db2.gz IBDTVAAZSRPTEC-SFHVURJKSA-N 0 0 443.060 5.912 40 0 IKABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000223978999 557538333 /nfs/dbraw/zinc/53/83/33/557538333.db2.gz YTBAZFOBCLKEAN-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000223978715 557538360 /nfs/dbraw/zinc/53/83/60/557538360.db2.gz IBDTVAAZSRPTEC-GOSISDBHSA-N 0 0 443.060 5.912 40 0 IKABRN CC1CCN(c2ccc(NC(=S)NCC3(c4ccc(Cl)cc4)CCCC3)cn2)CC1 ZINC000223978506 557538369 /nfs/dbraw/zinc/53/83/69/557538369.db2.gz LKVCNLBEGWXSNJ-UHFFFAOYSA-N 0 0 443.060 5.770 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl ZINC000223983217 557539162 /nfs/dbraw/zinc/53/91/62/557539162.db2.gz KFAYHIWQWXQKAH-HSZRJFAPSA-N 0 0 445.003 5.005 40 0 IKABRN Fc1ccc(C2(CNC(=S)Nc3ccc(N4Cc5ccccc5C4)nc3)CCCC2)cc1 ZINC000223984311 557539187 /nfs/dbraw/zinc/53/91/87/557539187.db2.gz VICMJRRQPSQDJI-UHFFFAOYSA-N 0 0 446.595 5.539 40 0 IKABRN C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)C1 ZINC000223983508 557539189 /nfs/dbraw/zinc/53/91/89/557539189.db2.gz BLYPIKOMTKKYLS-GOSISDBHSA-N 0 0 426.605 5.255 40 0 IKABRN CC1CCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)CC1 ZINC000223983433 557539200 /nfs/dbraw/zinc/53/92/00/557539200.db2.gz YXOPKMOWPGTOAK-UHFFFAOYSA-N 0 0 426.605 5.255 40 0 IKABRN Cc1c(Cl)cnc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)c1Cl ZINC000223986648 557539748 /nfs/dbraw/zinc/53/97/48/557539748.db2.gz FQFNKBQTMZZHGY-UHFFFAOYSA-N 0 0 428.816 6.149 40 0 IKABRN S=C(NCC1(c2ccccc2)CCCCC1)Nc1ncc(Br)cc1Cl ZINC000223990259 557540472 /nfs/dbraw/zinc/54/04/72/557540472.db2.gz LCEARQWFHPJMDU-UHFFFAOYSA-N 0 0 438.822 5.686 40 0 IKABRN Cc1cccc(Nc2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)c1 ZINC000223994552 557541067 /nfs/dbraw/zinc/54/10/67/557541067.db2.gz JHYKUIOMAWLARN-UHFFFAOYSA-N 0 0 430.621 6.322 40 0 IKABRN Cc1ccc(Nc2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)cc1 ZINC000223994630 557541162 /nfs/dbraw/zinc/54/11/62/557541162.db2.gz KDNMZKRALIZARO-UHFFFAOYSA-N 0 0 430.621 6.322 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223996228 557541359 /nfs/dbraw/zinc/54/13/59/557541359.db2.gz LBYCMDAEXUPHLJ-UHFFFAOYSA-N 0 0 440.590 5.332 40 0 IKABRN Cc1c(Cl)cnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)c1Cl ZINC000223996271 557541432 /nfs/dbraw/zinc/54/14/32/557541432.db2.gz IXVVOPRXRZCSPU-UHFFFAOYSA-N 0 0 442.843 6.539 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3)cc2)cc1 ZINC000223997439 557541564 /nfs/dbraw/zinc/54/15/64/557541564.db2.gz 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COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1CSc1ccccc1 ZINC000224328577 557592475 /nfs/dbraw/zinc/59/24/75/557592475.db2.gz UWDUOMBRDHTXRB-UHFFFAOYSA-N 0 0 431.601 6.082 40 0 IKABRN Cc1cc(C)cc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000224329791 557592488 /nfs/dbraw/zinc/59/24/88/557592488.db2.gz LKFYZEQTLLNMFB-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN CN(c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2)c1)S(=O)(=O)c1ccccc1 ZINC000224330241 557592629 /nfs/dbraw/zinc/59/26/29/557592629.db2.gz LOVJPWSCBHPRQB-UHFFFAOYSA-N 0 0 435.332 5.071 40 0 IKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1 ZINC000224330290 557592657 /nfs/dbraw/zinc/59/26/57/557592657.db2.gz GIJYSOVURPOJHD-LOSJGSFVSA-N 0 0 439.588 5.066 40 0 IKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1 ZINC000224330715 557592682 /nfs/dbraw/zinc/59/26/82/557592682.db2.gz MVBJJFJKIUIRJM-RPBOFIJWSA-N 0 0 439.588 5.315 40 0 IKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 ZINC000224331371 557592793 /nfs/dbraw/zinc/59/27/93/557592793.db2.gz OUWDSHOLYULSSO-BJKOFHAPSA-N 0 0 428.561 5.264 40 0 IKABRN COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1CSc1ccccc1 ZINC000224331744 557592833 /nfs/dbraw/zinc/59/28/33/557592833.db2.gz IFXLAPAOTPKLOH-UHFFFAOYSA-N 0 0 439.580 6.507 40 0 IKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 ZINC000224331347 557592870 /nfs/dbraw/zinc/59/28/70/557592870.db2.gz OUWDSHOLYULSSO-RPWUZVMVSA-N 0 0 428.561 5.264 40 0 IKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1 ZINC000224332923 557593013 /nfs/dbraw/zinc/59/30/13/557593013.db2.gz IMYPEYKJFGHVSJ-IZZNHLLZSA-N 0 0 444.648 6.355 40 0 IKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1 ZINC000224332835 557593045 /nfs/dbraw/zinc/59/30/45/557593045.db2.gz IMYPEYKJFGHVSJ-UIOOFZCWSA-N 0 0 444.648 6.355 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1CSc1ccc(C)cc1 ZINC000224337863 557593538 /nfs/dbraw/zinc/59/35/38/557593538.db2.gz ZJFUNMJGPPOFCZ-UHFFFAOYSA-N 0 0 431.479 6.567 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 ZINC000224339493 557593716 /nfs/dbraw/zinc/59/37/16/557593716.db2.gz CZNDJWXYPFSDAX-UHFFFAOYSA-N 0 0 435.545 5.725 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3ccccc3C)c2)cc1 ZINC000224339586 557593755 /nfs/dbraw/zinc/59/37/55/557593755.db2.gz IJBSADLAOWJOKK-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1CSc1ccc(C)cc1 ZINC000224340829 557594079 /nfs/dbraw/zinc/59/40/79/557594079.db2.gz BSDVEVXLZLCGOA-UHFFFAOYSA-N 0 0 432.589 5.258 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3ccccc3Cl)c2)cc1 ZINC000224340297 557594142 /nfs/dbraw/zinc/59/41/42/557594142.db2.gz XCLMOXVFMBFVFZ-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1cccc2ccccc21 ZINC000027905498 557594533 /nfs/dbraw/zinc/59/45/33/557594533.db2.gz OTQNUIKXYBVHGK-MHZLTWQESA-N 0 0 440.568 6.514 40 0 IKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000224342549 557594877 /nfs/dbraw/zinc/59/48/77/557594877.db2.gz SENYIBDCMFMEDV-LOSJGSFVSA-N 0 0 430.621 6.128 40 0 IKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000224344979 557595228 /nfs/dbraw/zinc/59/52/28/557595228.db2.gz DXCMCNORTNKWMQ-RPBOFIJWSA-N 0 0 440.572 5.317 40 0 IKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000224345055 557595232 /nfs/dbraw/zinc/59/52/32/557595232.db2.gz DXCMCNORTNKWMQ-JWQCQUIFSA-N 0 0 440.572 5.317 40 0 IKABRN COc1ccc(C(=O)NCc2ccccc2Cl)cc1CSc1ccc(Cl)cc1 ZINC000224345482 557595240 /nfs/dbraw/zinc/59/52/40/557595240.db2.gz RRFRSQIXUPMQPA-UHFFFAOYSA-N 0 0 432.372 6.224 40 0 IKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1 ZINC000224346828 557595454 /nfs/dbraw/zinc/59/54/54/557595454.db2.gz KDQKEXDEOOKGQK-RPBOFIJWSA-N 0 0 439.588 5.066 40 0 IKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000224347480 557595626 /nfs/dbraw/zinc/59/56/26/557595626.db2.gz BUXVXPKHODDDFH-JWQCQUIFSA-N 0 0 425.557 6.081 40 0 IKABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 ZINC000224349850 557596150 /nfs/dbraw/zinc/59/61/50/557596150.db2.gz WDDPOPMYYZFVGE-UHFFFAOYSA-N 0 0 427.953 6.292 40 0 IKABRN Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C ZINC000224350281 557596225 /nfs/dbraw/zinc/59/62/25/557596225.db2.gz PXECUJHOXZOLJM-QGZVFWFLSA-N 0 0 435.395 5.034 40 0 IKABRN COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1Cl ZINC000224350732 557596400 /nfs/dbraw/zinc/59/64/00/557596400.db2.gz AKPDLSUNUDHCPO-UHFFFAOYSA-N 0 0 448.371 6.555 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1CSc1ccc(Cl)cc1 ZINC000224351447 557596551 /nfs/dbraw/zinc/59/65/51/557596551.db2.gz VPKIUTFUZWRJRM-UHFFFAOYSA-N 0 0 440.952 5.852 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000224351524 557596597 /nfs/dbraw/zinc/59/65/97/557596597.db2.gz ZCSVWCWJSXQVDA-IBGZPJMESA-N 0 0 441.786 5.133 40 0 IKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000224352217 557596802 /nfs/dbraw/zinc/59/68/02/557596802.db2.gz XBLVMCHGXBZMDE-DQEYMECFSA-N 0 0 430.621 6.128 40 0 IKABRN CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)CC1 ZINC000224352068 557596829 /nfs/dbraw/zinc/59/68/29/557596829.db2.gz PGZPKCSXWCGUEX-UHFFFAOYSA-N 0 0 447.984 5.056 40 0 IKABRN CCN(c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224354738 557597035 /nfs/dbraw/zinc/59/70/35/557597035.db2.gz IFBRSSHFEAMGDH-UHFFFAOYSA-N 0 0 430.529 5.307 40 0 IKABRN CCN(c1ccc(C(=O)Nc2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000224354665 557597064 /nfs/dbraw/zinc/59/70/64/557597064.db2.gz VDVJIVNAHPBIGB-UHFFFAOYSA-N 0 0 430.529 5.307 40 0 IKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224353663 557597072 /nfs/dbraw/zinc/59/70/72/557597072.db2.gz KKFCHQFJJXLMFQ-XMMPIXPASA-N 0 0 441.015 5.366 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 ZINC000224357578 557597483 /nfs/dbraw/zinc/59/74/83/557597483.db2.gz JIXIAITVHOHREE-LOSJGSFVSA-N 0 0 439.588 5.568 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C1CC1 ZINC000224360836 557597705 /nfs/dbraw/zinc/59/77/05/557597705.db2.gz CQMLOLCXICVOJD-RPBOFIJWSA-N 0 0 430.621 6.135 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)cc1 ZINC000224363045 557597934 /nfs/dbraw/zinc/59/79/34/557597934.db2.gz FHZDHJOYPDWZAZ-TUSQITKMSA-N 0 0 446.620 5.363 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 ZINC000224363347 557597956 /nfs/dbraw/zinc/59/79/56/557597956.db2.gz NJLWZYPBNKNMNS-JWQCQUIFSA-N 0 0 442.588 5.825 40 0 IKABRN O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000224364156 557598157 /nfs/dbraw/zinc/59/81/57/557598157.db2.gz VSBVNNBERGLTPG-UHFFFAOYSA-N 0 0 447.391 5.363 40 0 IKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 ZINC000224366060 557598550 /nfs/dbraw/zinc/59/85/50/557598550.db2.gz DMRJLKFTKLSKAM-HSZRJFAPSA-N 0 0 426.988 5.057 40 0 IKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 ZINC000224368646 557598772 /nfs/dbraw/zinc/59/87/72/557598772.db2.gz VQFNOBUGFOKJOI-HSZRJFAPSA-N 0 0 442.600 5.174 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccccc1C ZINC000224372702 557598950 /nfs/dbraw/zinc/59/89/50/557598950.db2.gz HONAOLVKRYHWKV-UHFFFAOYSA-N 0 0 440.337 5.988 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224372151 557598977 /nfs/dbraw/zinc/59/89/77/557598977.db2.gz GBQYBTMALZGDPD-GOSISDBHSA-N 0 0 449.422 5.424 40 0 IKABRN CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1C ZINC000224373975 557599188 /nfs/dbraw/zinc/59/91/88/557599188.db2.gz YTURQXNABGNPJS-UHFFFAOYSA-N 0 0 429.438 6.244 40 0 IKABRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000224381436 557599468 /nfs/dbraw/zinc/59/94/68/557599468.db2.gz CAQKTDMUWFDBCH-UHFFFAOYSA-N 0 0 440.568 6.096 40 0 IKABRN CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1cccc(C)c1 ZINC000224381474 557599699 /nfs/dbraw/zinc/59/96/99/557599699.db2.gz IUOFYAJESRDLSH-UHFFFAOYSA-N 0 0 444.358 6.210 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1cccc(C)c1 ZINC000224384215 557599865 /nfs/dbraw/zinc/59/98/65/557599865.db2.gz WRMKFSRONLFQLI-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224386638 557600272 /nfs/dbraw/zinc/60/02/72/557600272.db2.gz JYNDGTTYXGCXKB-GOSISDBHSA-N 0 0 449.422 5.342 40 0 IKABRN CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000224389844 557600498 /nfs/dbraw/zinc/60/04/98/557600498.db2.gz FNZYXDYWTQWXNG-QGZVFWFLSA-N 0 0 435.395 5.116 40 0 IKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 ZINC000224389009 557600504 /nfs/dbraw/zinc/60/05/04/557600504.db2.gz SBOOTRZMEBFHOQ-IRXDYDNUSA-N 0 0 434.359 5.222 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1nccs1 ZINC000224391437 557600624 /nfs/dbraw/zinc/60/06/24/557600624.db2.gz FCMPCXRZKCACQT-RTWAWAEBSA-N 0 0 449.580 5.262 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 ZINC000224390993 557600630 /nfs/dbraw/zinc/60/06/30/557600630.db2.gz GEIQXHPDWPRNAM-UHFFFAOYSA-N 0 0 440.008 7.236 40 0 IKABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 ZINC000224393325 557601183 /nfs/dbraw/zinc/60/11/83/557601183.db2.gz HVTXMEJTENBAAU-BJKOFHAPSA-N 0 0 444.535 5.197 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1Cc1ccco1 ZINC000224392868 557601190 /nfs/dbraw/zinc/60/11/90/557601190.db2.gz QFYQPFUHESOCTM-DNQXCXABSA-N 0 0 446.551 5.457 40 0 IKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1CSc1ccc(Cl)cc1 ZINC000224392535 557601192 /nfs/dbraw/zinc/60/11/92/557601192.db2.gz WTMWAVMUHDYNKW-OAHLLOKOSA-N 0 0 446.399 6.785 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1Cc1ccco1 ZINC000224392991 557601207 /nfs/dbraw/zinc/60/12/07/557601207.db2.gz QFYQPFUHESOCTM-ZEQRLZLVSA-N 0 0 446.551 5.457 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CCCC1 ZINC000224396768 557601635 /nfs/dbraw/zinc/60/16/35/557601635.db2.gz TYPMGZOYZOPEGN-RPWUZVMVSA-N 0 0 434.584 5.931 40 0 IKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 ZINC000224407404 557602906 /nfs/dbraw/zinc/60/29/06/557602906.db2.gz YFUNIVDUHADXHH-XZOQPEGZSA-N 0 0 432.499 5.328 40 0 IKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000224407645 557602950 /nfs/dbraw/zinc/60/29/50/557602950.db2.gz HLKJGZXNLRUMEZ-DHIUTWEWSA-N 0 0 432.499 5.328 40 0 IKABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 ZINC000224408317 557602983 /nfs/dbraw/zinc/60/29/83/557602983.db2.gz VKLMGWAHHUSCQA-DNQXCXABSA-N 0 0 444.535 5.197 40 0 IKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000224407567 557602986 /nfs/dbraw/zinc/60/29/86/557602986.db2.gz HLKJGZXNLRUMEZ-PKTZIBPZSA-N 0 0 432.499 5.328 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2Cl)cc1 ZINC000224409699 557603160 /nfs/dbraw/zinc/60/31/60/557603160.db2.gz VRMSAQUTJSEKBB-UHFFFAOYSA-N 0 0 437.005 5.394 40 0 IKABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224408646 557603192 /nfs/dbraw/zinc/60/31/92/557603192.db2.gz XXIDQGGIVOFPPH-ZEQRLZLVSA-N 0 0 444.535 5.197 40 0 IKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1 ZINC000224410292 557603367 /nfs/dbraw/zinc/60/33/67/557603367.db2.gz BWIIXZSNTGBEJG-YADHBBJMSA-N 0 0 449.942 5.237 40 0 IKABRN CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000224409995 557603383 /nfs/dbraw/zinc/60/33/83/557603383.db2.gz MMDHZPQCERQPPO-KRWDZBQOSA-N 0 0 437.005 5.395 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1C ZINC000224410648 557603400 /nfs/dbraw/zinc/60/34/00/557603400.db2.gz MAMHXSZMTBSOBZ-SFHVURJKSA-N 0 0 449.422 5.342 40 0 IKABRN CN(Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224412123 557603622 /nfs/dbraw/zinc/60/36/22/557603622.db2.gz 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557712890 /nfs/dbraw/zinc/71/28/90/557712890.db2.gz YGIOJLHGDDYXOR-SJORKVTESA-N 0 0 435.395 5.176 40 0 IKABRN CCOC(=O)c1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000225346005 557712894 /nfs/dbraw/zinc/71/28/94/557712894.db2.gz OJCVMEJAVUJDIQ-UHFFFAOYSA-N 0 0 443.421 5.390 40 0 IKABRN COC(=O)c1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1C ZINC000225345482 557712919 /nfs/dbraw/zinc/71/29/19/557712919.db2.gz FLNMZJRWKDIUIU-UHFFFAOYSA-N 0 0 443.421 5.308 40 0 IKABRN COC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000225345202 557712927 /nfs/dbraw/zinc/71/29/27/557712927.db2.gz UDSGYTYKYBKZKW-UHFFFAOYSA-N 0 0 443.421 5.308 40 0 IKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000225349942 557713410 /nfs/dbraw/zinc/71/34/10/557713410.db2.gz KEJQYFMSJKZKFU-UHFFFAOYSA-N 0 0 427.331 5.495 40 0 IKABRN Cc1ccc(N2N[C@](Cc3ccccc3)(c3ccc(-c4ccccc4)cc3)NC2=S)cc1 ZINC000225351144 557713413 /nfs/dbraw/zinc/71/34/13/557713413.db2.gz HFOMNPLUUZGIBI-MUUNZHRXSA-N 0 0 435.596 5.957 40 0 IKABRN CC(C)(C)SCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000225351945 557713437 /nfs/dbraw/zinc/71/34/37/557713437.db2.gz GGIDCPMDYYDEJM-UHFFFAOYSA-N 0 0 428.667 6.033 40 0 IKABRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000225357886 557713858 /nfs/dbraw/zinc/71/38/58/557713858.db2.gz LNKVATVCFIAZOX-RPBOFIJWSA-N 0 0 446.620 5.963 40 0 IKABRN O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000225358830 557713884 /nfs/dbraw/zinc/71/38/84/557713884.db2.gz PQNBOGXYWUYMGB-UHFFFAOYSA-N 0 0 432.322 5.961 40 0 IKABRN O=C(CCc1c(Cl)cccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000225358034 557713938 /nfs/dbraw/zinc/71/39/38/557713938.db2.gz VOIUBUUSNSUHSU-UHFFFAOYSA-N 0 0 431.285 5.294 40 0 IKABRN CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000225361720 557714134 /nfs/dbraw/zinc/71/41/34/557714134.db2.gz SCEYBOWGBIYQOF-FQEVSTJZSA-N 0 0 439.358 5.009 40 0 IKABRN CC(C)c1ccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000225362466 557714370 /nfs/dbraw/zinc/71/43/70/557714370.db2.gz VDXIIUHNLLMYGM-MOHJPFBDSA-N 0 0 432.589 5.391 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)[nH]1 ZINC000225362646 557714373 /nfs/dbraw/zinc/71/43/73/557714373.db2.gz XYIOFSDQWMLDOX-ZEQRLZLVSA-N 0 0 432.593 5.525 40 0 IKABRN COC(=O)c1ccc(C)c(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000225364735 557714598 /nfs/dbraw/zinc/71/45/98/557714598.db2.gz GSBWXMAEMCOXMF-UHFFFAOYSA-N 0 0 443.421 5.308 40 0 IKABRN Fc1cccc(Cl)c1CSCCNC(=S)Nc1ccc(Br)cc1 ZINC000225367306 557714899 /nfs/dbraw/zinc/71/48/99/557714899.db2.gz WHJIRYMZWQIBKU-UHFFFAOYSA-N 0 0 433.799 5.461 40 0 IKABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCSCc2c(F)cccc2Cl)c1 ZINC000225368799 557714950 /nfs/dbraw/zinc/71/49/50/557714950.db2.gz IPGUVWUPZKLOTP-UHFFFAOYSA-N 0 0 447.384 5.139 40 0 IKABRN O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1Cl ZINC000225369722 557715304 /nfs/dbraw/zinc/71/53/04/557715304.db2.gz NCBIPEIQNZAURQ-UHFFFAOYSA-N 0 0 437.219 6.282 40 0 IKABRN CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225371528 557715444 /nfs/dbraw/zinc/71/54/44/557715444.db2.gz JUGSLGBSSVENCX-AREMUKBSSA-N 0 0 434.624 5.145 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225374469 557715636 /nfs/dbraw/zinc/71/56/36/557715636.db2.gz KDOTXIWXNGMECM-NHCUHLMSSA-N 0 0 438.612 5.083 40 0 IKABRN CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 ZINC000225375207 557715669 /nfs/dbraw/zinc/71/56/69/557715669.db2.gz SQTNCTXVLNAHND-RPBOFIJWSA-N 0 0 446.620 5.963 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccc4c(c3)OCO4)c2)cc1 ZINC000225377293 557715803 /nfs/dbraw/zinc/71/58/03/557715803.db2.gz NCMVVNCMRHWHRQ-UHFFFAOYSA-N 0 0 446.572 5.430 40 0 IKABRN O=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000225376102 557715816 /nfs/dbraw/zinc/71/58/16/557715816.db2.gz SFSXKVVNLGNKLY-UHFFFAOYSA-N 0 0 431.285 5.294 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc21 ZINC000225377035 557715846 /nfs/dbraw/zinc/71/58/46/557715846.db2.gz NBMOHUFFWSVXMY-NHCUHLMSSA-N 0 0 446.591 5.113 40 0 IKABRN CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000225378571 557716016 /nfs/dbraw/zinc/71/60/16/557716016.db2.gz QRYQGYVHSFPGCR-DEOSSOPVSA-N 0 0 441.015 5.181 40 0 IKABRN CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225379050 557716214 /nfs/dbraw/zinc/71/62/14/557716214.db2.gz MMXPUKNPDZGWFM-SANMLTNESA-N 0 0 434.624 5.145 40 0 IKABRN CCOc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)cc3Cl)n2)cc1 ZINC000225381453 557716594 /nfs/dbraw/zinc/71/65/94/557716594.db2.gz NOBQDEWNPQZHFC-UHFFFAOYSA-N 0 0 434.323 5.033 40 0 IKABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc21 ZINC000225386613 557717255 /nfs/dbraw/zinc/71/72/55/557717255.db2.gz YXQRMVPWNVCWQH-AREMUKBSSA-N 0 0 446.591 5.115 40 0 IKABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc21 ZINC000225386645 557717258 /nfs/dbraw/zinc/71/72/58/557717258.db2.gz YXQRMVPWNVCWQH-SANMLTNESA-N 0 0 446.591 5.115 40 0 IKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000225398334 557718382 /nfs/dbraw/zinc/71/83/82/557718382.db2.gz DJYCAKCAHSDDOS-HWWKNPRSSA-N 0 0 429.604 6.439 40 0 IKABRN C[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000225405437 557718852 /nfs/dbraw/zinc/71/88/52/557718852.db2.gz XUDWXVRIRZWZDQ-LJQANCHMSA-N 0 0 434.674 7.324 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3SCc3ccccc3)s2)cc1 ZINC000225403518 557718913 /nfs/dbraw/zinc/71/89/13/557718913.db2.gz BAOBNFZFPVRERL-UHFFFAOYSA-N 0 0 433.558 5.758 40 0 IKABRN Fc1ccccc1CSCCNC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000225412931 557719990 /nfs/dbraw/zinc/71/99/90/557719990.db2.gz YZAPGBAADIOPLM-UHFFFAOYSA-N 0 0 433.799 5.461 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc21 ZINC000225415181 557720422 /nfs/dbraw/zinc/72/04/22/557720422.db2.gz VGNBMEVJQDASLL-LEWJYISDSA-N 0 0 446.591 5.113 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccc(Cl)cc2)c1 ZINC000225418301 557720796 /nfs/dbraw/zinc/72/07/96/557720796.db2.gz NXUCCICBWLMGCU-JWGURIENSA-N 0 0 438.980 5.230 40 0 IKABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc21 ZINC000225419811 557721015 /nfs/dbraw/zinc/72/10/15/557721015.db2.gz RKMFWIKONVHICN-SANMLTNESA-N 0 0 446.591 5.115 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000225423482 557721725 /nfs/dbraw/zinc/72/17/25/557721725.db2.gz SOIWMVNYJLOWQC-RBUKOAKNSA-N 0 0 447.044 5.197 40 0 IKABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000225424775 557721957 /nfs/dbraw/zinc/72/19/57/557721957.db2.gz GLNPEMMPYGFBII-QFIPXVFZSA-N 0 0 447.044 5.198 40 0 IKABRN Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000225450284 557724087 /nfs/dbraw/zinc/72/40/87/557724087.db2.gz UBZHMEPRNSMSBF-UHFFFAOYSA-N 0 0 435.778 5.083 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 ZINC000225458867 557724979 /nfs/dbraw/zinc/72/49/79/557724979.db2.gz JUTWPPYENHSKQY-UTKZUKDTSA-N 0 0 433.017 5.154 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000225459697 557725268 /nfs/dbraw/zinc/72/52/68/557725268.db2.gz CYTMOOVHPPITFI-AVRDEDQJSA-N 0 0 447.044 5.295 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000225459622 557725307 /nfs/dbraw/zinc/72/53/07/557725307.db2.gz CYTMOOVHPPITFI-PGRDOPGGSA-N 0 0 447.044 5.295 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000225460447 557725422 /nfs/dbraw/zinc/72/54/22/557725422.db2.gz KQBQPGMNKCPDPS-AVRDEDQJSA-N 0 0 447.044 5.544 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000225460742 557725474 /nfs/dbraw/zinc/72/54/74/557725474.db2.gz BDRGTTBCXTVRKR-REWPJTCUSA-N 0 0 426.626 5.199 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000225460635 557725478 /nfs/dbraw/zinc/72/54/78/557725478.db2.gz BDRGTTBCXTVRKR-NFBKMPQASA-N 0 0 426.626 5.199 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)N[C@@H]3CCCc4ccccc43)c2)cc1 ZINC000225461453 557725687 /nfs/dbraw/zinc/72/56/87/557725687.db2.gz KWDWATCHACZZQC-RUZDIDTESA-N 0 0 442.628 6.579 40 0 IKABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000225474419 557727130 /nfs/dbraw/zinc/72/71/30/557727130.db2.gz FBBCUGOKDMTIJP-SFHVURJKSA-N 0 0 433.017 5.154 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000225477177 557727510 /nfs/dbraw/zinc/72/75/10/557727510.db2.gz GMDUPRLVKLJMIW-BWKNWUBXSA-N 0 0 436.640 5.639 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000225478624 557727728 /nfs/dbraw/zinc/72/77/28/557727728.db2.gz UPWPZHJZJZAJDL-CVDCTZTESA-N 0 0 445.003 5.221 40 0 IKABRN CC[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 ZINC000225481296 557727842 /nfs/dbraw/zinc/72/78/42/557727842.db2.gz XHRWSLLPAWPLJG-DEOSSOPVSA-N 0 0 430.617 6.653 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000225481491 557728068 /nfs/dbraw/zinc/72/80/68/557728068.db2.gz NYDSEGNPKRNZGR-UGKGYDQZSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C ZINC000225490227 557729209 /nfs/dbraw/zinc/72/92/09/557729209.db2.gz CUFBCLWSPFIGHW-OFNKIYASSA-N 0 0 438.612 5.085 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000225491612 557729414 /nfs/dbraw/zinc/72/94/14/557729414.db2.gz NEIFMNJYVREZIU-KKSFZXQISA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000225491663 557729433 /nfs/dbraw/zinc/72/94/33/557729433.db2.gz BUVMKDAZYICYHC-IIBYNOLFSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000225491495 557729445 /nfs/dbraw/zinc/72/94/45/557729445.db2.gz NEIFMNJYVREZIU-IIBYNOLFSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 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/nfs/dbraw/zinc/82/04/85/557820485.db2.gz OZZDYWLCTZNLFT-UHFFFAOYSA-N 0 0 439.231 5.096 40 0 IKABRN CSc1ccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 ZINC000059457315 557821182 /nfs/dbraw/zinc/82/11/82/557821182.db2.gz GEJKDKLYUARENZ-MHWRWJLKSA-N 0 0 435.368 5.277 40 0 IKABRN COc1ccccc1NC(=O)c1c(C)c(C)c(C(=O)Nc2ccccc2OC)c(C)c1C ZINC000059461458 557821553 /nfs/dbraw/zinc/82/15/53/557821553.db2.gz ULYBTCLRNSQGCL-UHFFFAOYSA-N 0 0 432.520 5.442 40 0 IKABRN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000059399027 557822575 /nfs/dbraw/zinc/82/25/75/557822575.db2.gz JJPDVSRANSMFTH-NHDPSOOVSA-N 0 0 442.273 6.056 40 0 IKABRN COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1Cl ZINC000059409169 557822635 /nfs/dbraw/zinc/82/26/35/557822635.db2.gz HGJZQTXCHRODDF-JOCHJYFZSA-N 0 0 445.371 6.278 40 0 IKABRN Cc1[nH]c2ccccc2c1CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000059417507 557822767 /nfs/dbraw/zinc/82/27/67/557822767.db2.gz KCPADBLOTDINBC-UHFFFAOYSA-N 0 0 426.545 5.928 40 0 IKABRN CCCCCOc1ccc(NC(=O)C(=O)NCCOc2ccc(-c3ccccc3)cc2)cc1 ZINC000059417414 557822786 /nfs/dbraw/zinc/82/27/86/557822786.db2.gz PRUGCOKXDHQGSN-UHFFFAOYSA-N 0 0 446.547 5.056 40 0 IKABRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000059417216 557822838 /nfs/dbraw/zinc/82/28/38/557822838.db2.gz NWKNUZNYOVWYTJ-UHFFFAOYSA-N 0 0 426.221 7.057 40 0 IKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1c1cccc(Cl)c1 ZINC000059418215 557823410 /nfs/dbraw/zinc/82/34/10/557823410.db2.gz SAYUPTKTAFEYPL-CIAFOILYSA-N 0 0 439.895 6.299 40 0 IKABRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(CC)c4ccccc4C3c3ccccc32)cc1 ZINC000059433366 557823893 /nfs/dbraw/zinc/82/38/93/557823893.db2.gz OQPPFTCYHJDUAM-NSIFAMOJSA-N 0 0 437.539 5.436 40 0 IKABRN O=C(CSc1nc2ccccc2o1)Nc1cc(Br)ccc1Br ZINC000059434860 557824055 /nfs/dbraw/zinc/82/40/55/557824055.db2.gz UEIFSWQIWROTJC-UHFFFAOYSA-N 0 0 442.132 5.084 40 0 IKABRN Clc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000059596631 557824278 /nfs/dbraw/zinc/82/42/78/557824278.db2.gz SQXLIHUZNBSFEC-UHFFFAOYSA-N 0 0 442.093 6.114 40 0 IKABRN CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C(=S)N[C@H]1c1ccccc1 ZINC000059596930 557824290 /nfs/dbraw/zinc/82/42/90/557824290.db2.gz UNQAABGYZZSZBL-IBGZPJMESA-N 0 0 435.376 5.262 40 0 IKABRN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000059639210 557824332 /nfs/dbraw/zinc/82/43/32/557824332.db2.gz FYUXSGYLJPSRNS-MRXNPFEDSA-N 0 0 429.687 5.098 40 0 IKABRN Cc1cc(Cl)cc(Cl)c1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000059474561 557824407 /nfs/dbraw/zinc/82/44/07/557824407.db2.gz ATTQHSMGZZCLBR-UHFFFAOYSA-N 0 0 449.359 5.033 40 0 IKABRN O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3c[nH]c4ccccc34)sc2c1 ZINC000059474763 557824479 /nfs/dbraw/zinc/82/44/79/557824479.db2.gz KMAAENQRHUFIHA-UHFFFAOYSA-N 0 0 441.537 5.871 40 0 IKABRN Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000059474667 557824494 /nfs/dbraw/zinc/82/44/94/557824494.db2.gz PPPCMJDZSQECNH-NRFANRHFSA-N 0 0 434.750 6.109 40 0 IKABRN COc1ccc(N(C)C(=O)CC2(CC(=O)N(C)c3ccc(OC)cc3)CCCCC2)cc1 ZINC000059475416 557824865 /nfs/dbraw/zinc/82/48/65/557824865.db2.gz WAXCLZUKVFCNRE-UHFFFAOYSA-N 0 0 438.568 5.060 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000059477575 557824886 /nfs/dbraw/zinc/82/48/86/557824886.db2.gz NYPVTEXNASQRID-NTCAYCPXSA-N 0 0 440.886 7.060 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000059477590 557824912 /nfs/dbraw/zinc/82/49/12/557824912.db2.gz BJYPNPVNXBOCTO-NTCAYCPXSA-N 0 0 440.886 7.060 40 0 IKABRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000059483213 557825043 /nfs/dbraw/zinc/82/50/43/557825043.db2.gz BGKWPUZWFWVCRT-MHZLTWQESA-N 0 0 442.603 7.324 40 0 IKABRN O=C(Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1)c1ccccc1 ZINC000059488294 557825678 /nfs/dbraw/zinc/82/56/78/557825678.db2.gz PYRZQORLVFQYCF-NDENLUEZSA-N 0 0 438.266 5.557 40 0 IKABRN COc1ccc(C2=N[C@H](c3ccc(Br)cc3)N=C(c3ccccc3)S2)cc1 ZINC000059488718 557825690 /nfs/dbraw/zinc/82/56/90/557825690.db2.gz HAOCVUPWBGQENG-HXUWFJFHSA-N 0 0 437.362 6.097 40 0 IKABRN C[C@@H](Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1)C(=O)Nc1nccs1 ZINC000059489613 557825821 /nfs/dbraw/zinc/82/58/21/557825821.db2.gz DVNWOCBSPHFQLQ-GFCCVEGCSA-N 0 0 440.575 5.124 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)c4ccc(F)cc4)sc3c2)cc1 ZINC000059489725 557826043 /nfs/dbraw/zinc/82/60/43/557826043.db2.gz SOYMTWSFKIAMQV-UHFFFAOYSA-N 0 0 436.533 5.971 40 0 IKABRN CCC(=O)Nc1ccc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000059497918 557826336 /nfs/dbraw/zinc/82/63/36/557826336.db2.gz HBQHXIJSIFTTNP-UHFFFAOYSA-N 0 0 432.570 6.287 40 0 IKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000059500417 557826531 /nfs/dbraw/zinc/82/65/31/557826531.db2.gz GNTDGAJRAGDPMV-ZQFKLAOWSA-N 0 0 448.349 5.954 40 0 IKABRN O=C(Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1)c1ccc(Cl)cc1 ZINC000059507297 557826893 /nfs/dbraw/zinc/82/68/93/557826893.db2.gz QSDFCYKBMYOCNM-MOSHPQCFSA-N 0 0 438.266 5.557 40 0 IKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000059960947 557828162 /nfs/dbraw/zinc/82/81/62/557828162.db2.gz YMMKABHAHAVIKN-ASXFNGKXSA-N 0 0 426.025 6.927 40 0 IKABRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000123288534 557837175 /nfs/dbraw/zinc/83/71/75/557837175.db2.gz DVIUCIPCTDVQAP-NEVXCOBLSA-N 0 0 432.645 6.166 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)/C=C/CC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000123241587 557837221 /nfs/dbraw/zinc/83/72/21/557837221.db2.gz CJUZRVVXJPNXNH-PZXUXOGXSA-N 0 0 426.685 7.736 40 0 IKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C ZINC000123321155 557837570 /nfs/dbraw/zinc/83/75/70/557837570.db2.gz KNHGHMDIHVHLKX-DXTSGOFCSA-N 0 0 446.628 5.345 40 0 IKABRN O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000098031647 557839515 /nfs/dbraw/zinc/83/95/15/557839515.db2.gz BUUYDFWRTGCDNM-GIDUJCDVSA-N 0 0 442.693 5.184 40 0 IKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000000888250 557856824 /nfs/dbraw/zinc/85/68/24/557856824.db2.gz PKMCGOJBGIEBCW-UHFFFAOYSA-N 0 0 442.588 5.514 40 0 IKABRN CC(=O)N[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3CC[C@H]2C1 ZINC000247647269 560036937 /nfs/dbraw/zinc/03/69/37/560036937.db2.gz KSPIGVXMBWTYCY-KSTCTXRXSA-N 0 0 429.733 7.612 40 0 biogenic,in-vitro IKABRN C[C@H](C(=O)N1CCCC1)[C@H]1CC[C@@]2(C)Cc3sc(-c4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000003840624 560190122 /nfs/dbraw/zinc/19/01/22/560190122.db2.gz JFAIKPVNVLPUTI-KMZQWJRRSA-N 0 0 438.637 5.122 40 0 biogenic,in-vitro IKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4 ZINC000004083903 560193345 /nfs/dbraw/zinc/19/33/45/560193345.db2.gz MCSMMGJCXCBSKD-OHVZWJMZSA-N 0 0 426.729 8.313 40 0 in-vitro IKABRN O=C(C1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccc4ccccc4c3)ccc12 ZINC000004237086 560197655 /nfs/dbraw/zinc/19/76/55/560197655.db2.gz JSENNNHXUAFKET-YADARESESA-N 0 0 426.560 5.195 40 0 biogenic,in-vitro IKABRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NCc2ccccc2)C1 ZINC000008636121 560210547 /nfs/dbraw/zinc/21/05/47/560210547.db2.gz FJYKMOLHFBLKRQ-NHCUHLMSSA-N 0 0 434.971 5.362 40 0 biogenic,in-vitro IKABRN Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NCc2ccccc2)C1 ZINC000015673949 560230779 /nfs/dbraw/zinc/23/07/79/560230779.db2.gz CCEXGLXGJOOQKJ-ISKFKSNPSA-N 0 0 442.607 5.698 40 0 biogenic,in-vitro IKABRN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000004074095 562941443 /nfs/dbraw/zinc/94/14/43/562941443.db2.gz XGDVSJLOTVQNKY-CCJYTWKCSA-N 0 0 440.712 7.446 40 0 biogenic IKABRN NC(=O)c1ccc(-c2nnc(Nc3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 ZINC000014944600 563015242 /nfs/dbraw/zinc/01/52/42/563015242.db2.gz UPMAOTVCKCIDRZ-UHFFFAOYSA-N 0 0 446.510 5.718 40 0 IKABRN CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000028639021 563059986 /nfs/dbraw/zinc/05/99/86/563059986.db2.gz NVNUNRUPWXZKAL-YKHKZODKSA-N 0 0 442.728 7.428 40 0 IKABRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000032604146 568626070 /nfs/dbraw/zinc/62/60/70/568626070.db2.gz XKHRQAGNGJJRGG-UHFFFAOYSA-N 0 0 437.327 5.457 40 0 IKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000223014904 568626589 /nfs/dbraw/zinc/62/65/89/568626589.db2.gz JMEVPIJYEPCREP-IBGZPJMESA-N 0 0 430.372 5.648 40 0 IKABRN Cc1cc(C)nc(SCc2nc3ccccc3c(=O)n2-c2ccc(C(F)(F)F)cc2)n1 ZINC000000995379 568649391 /nfs/dbraw/zinc/64/93/91/568649391.db2.gz UOVGNEXUWRKZEE-UHFFFAOYSA-N 0 0 442.466 5.104 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccc(C)cc2)c2ccccc2)c1C ZINC000026770771 568738751 /nfs/dbraw/zinc/73/87/51/568738751.db2.gz OMOLETYQAPJVGW-VWLOTQADSA-N 0 0 426.585 7.127 40 0 IKABRN COc1ccccc1N[C@@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)c1ccccc1 ZINC000026770817 568738795 /nfs/dbraw/zinc/73/87/95/568738795.db2.gz YHKWIULYGNIQBU-RUZDIDTESA-N 0 0 442.584 6.827 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2ccc(F)cc2)c1C ZINC000026770858 568738831 /nfs/dbraw/zinc/73/88/31/568738831.db2.gz KAISQDHSPDASKX-XMMPIXPASA-N 0 0 430.548 6.958 40 0 IKABRN COc1ccccc1N[C@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)c1ccccc1 ZINC000026770815 568738865 /nfs/dbraw/zinc/73/88/65/568738865.db2.gz YHKWIULYGNIQBU-VWLOTQADSA-N 0 0 442.584 6.827 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(F)c2)c2ccccn2)c1C ZINC000026770919 568738868 /nfs/dbraw/zinc/73/88/68/568738868.db2.gz VITIGZVQMOMUFS-QHCPKHFHSA-N 0 0 431.536 6.353 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)cc(C)c2)c2ccccc2)c1C ZINC000026770833 568738889 /nfs/dbraw/zinc/73/88/89/568738889.db2.gz JGFKBRHKPVGJHK-SANMLTNESA-N 0 0 440.612 7.436 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2ccccc2Cl)c1C ZINC000026770898 568738895 /nfs/dbraw/zinc/73/88/95/568738895.db2.gz QQYWRKNLWDONPM-DEOSSOPVSA-N 0 0 447.003 7.472 40 0 IKABRN O=C(Nc1ccc(COc2ccccc2)cc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000026780154 568738932 /nfs/dbraw/zinc/73/89/32/568738932.db2.gz CVMYFIPEBRIKTG-UHFFFAOYSA-N 0 0 431.495 6.128 40 0 IKABRN CCN(C(=S)Nc1ccc(F)cc1)c1ccc(Oc2ccc(C(C)(C)CC)cc2)cc1 ZINC000026780225 568738966 /nfs/dbraw/zinc/73/89/66/568738966.db2.gz UYQZAAXQIIVNAM-UHFFFAOYSA-N 0 0 436.596 7.529 40 0 IKABRN COc1ccc(NC(=S)NCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000026780075 568738985 /nfs/dbraw/zinc/73/89/85/568738985.db2.gz ULLSIWNPNUJCDK-UHFFFAOYSA-N 0 0 448.979 5.688 40 0 IKABRN O=C(OCc1ccccc1)c1cc(O)c(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000044136197 568748545 /nfs/dbraw/zinc/74/85/45/568748545.db2.gz FYKMZXGMRCGQKQ-UHFFFAOYSA-N 0 0 440.495 5.907 40 0 in-vitro IKABRN CC(C)N(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 ZINC000015303681 568754967 /nfs/dbraw/zinc/75/49/67/568754967.db2.gz SEWIGMTXIXWPLN-UHFFFAOYSA-N 0 0 440.572 5.739 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072229983 568783229 /nfs/dbraw/zinc/78/32/29/568783229.db2.gz IIYDBJWLTFQDMI-LJQANCHMSA-N 0 0 436.722 5.989 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1Br ZINC000072229973 568783237 /nfs/dbraw/zinc/78/32/37/568783237.db2.gz TZFMVTMMBSTZBW-HXUWFJFHSA-N 0 0 446.728 5.445 40 0 IKABRN Nc1nc(-c2ccccc2)nc(Sc2ccc(Cl)cc2)c1NC(=O)c1ccccc1 ZINC000027562775 568783238 /nfs/dbraw/zinc/78/32/38/568783238.db2.gz FPIAIVACOVNASN-UHFFFAOYSA-N 0 0 432.936 5.783 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc(C)c1Cl ZINC000072230060 568783247 /nfs/dbraw/zinc/78/32/47/568783247.db2.gz CDNNDIINYDSCSF-QHCPKHFHSA-N 0 0 430.331 5.709 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc(C)c1Cl ZINC000072230059 568783251 /nfs/dbraw/zinc/78/32/51/568783251.db2.gz CDNNDIINYDSCSF-HSZRJFAPSA-N 0 0 430.331 5.709 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000027642630 568787540 /nfs/dbraw/zinc/78/75/40/568787540.db2.gz JNSGAKNBLCDOPK-UHFFFAOYSA-N 0 0 438.314 6.595 40 0 IKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000951139 568787722 /nfs/dbraw/zinc/78/77/22/568787722.db2.gz QZYMRKVLSFNSOT-UHFFFAOYSA-N 0 0 448.478 5.319 40 0 IKABRN CC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001770313 568788001 /nfs/dbraw/zinc/78/80/01/568788001.db2.gz KMNHOJOPHHNRRR-UHFFFAOYSA-N 0 0 445.382 5.888 40 0 IKABRN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000001782436 568788010 /nfs/dbraw/zinc/78/80/10/568788010.db2.gz HNNFTDXMDUKCSB-BJMVGYQFSA-N 0 0 447.329 5.762 40 0 IKABRN Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000001838910 568788056 /nfs/dbraw/zinc/78/80/56/568788056.db2.gz LUTVREOTUYVIKD-RUZDIDTESA-N 0 0 435.907 5.535 40 0 IKABRN O=C(N[C@H](C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000001436687 568788235 /nfs/dbraw/zinc/78/82/35/568788235.db2.gz TXLDMFOYROGSCL-IBGZPJMESA-N 0 0 433.722 5.757 40 0 IKABRN CCCCCCOC(=O)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 ZINC000001809049 568788311 /nfs/dbraw/zinc/78/83/11/568788311.db2.gz YBLDFKRUJNHYPO-SILNSSARSA-N 0 0 430.342 5.798 40 0 IKABRN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OC(=O)c3ccccc3)cc21 ZINC000001522204 568788548 /nfs/dbraw/zinc/78/85/48/568788548.db2.gz IUBLIGGHURQOHN-UHFFFAOYSA-N 0 0 429.472 5.343 40 0 IKABRN COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccc1C ZINC000002889691 568789579 /nfs/dbraw/zinc/78/95/79/568789579.db2.gz XJJQWMVHNDVUQB-UHFFFAOYSA-N 0 0 430.323 5.525 40 0 IKABRN Cc1ccc(C)c(OCc2cccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)c2)c1 ZINC000002804433 568789567 /nfs/dbraw/zinc/78/95/67/568789567.db2.gz OILOCQPSDGAQQY-UHFFFAOYSA-N 0 0 446.514 5.326 40 0 IKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1OC ZINC000004289883 568790851 /nfs/dbraw/zinc/79/08/51/568790851.db2.gz ATAYASAKEZQQOD-MHWRWJLKSA-N 0 0 437.536 5.625 40 0 IKABRN Clc1cc(Br)c(I)c(Br)c1Cl ZINC000065356404 568793938 /nfs/dbraw/zinc/79/39/38/568793938.db2.gz UBVGBNFHSQPUSX-UHFFFAOYSA-N 0 0 430.692 5.123 40 0 IKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1sc2cccc(Cl)c2c1Cl ZINC000013382141 568824150 /nfs/dbraw/zinc/82/41/50/568824150.db2.gz HJIJIJKQGAMZBZ-UHFFFAOYSA-N 0 0 425.551 7.421 40 0 IKABRN CCc1ccc(-c2cs/c(=N\c3ccc(SC(F)F)cc3)n2[C@@H](C)COC)cc1 ZINC000015913713 568858717 /nfs/dbraw/zinc/85/87/17/568858717.db2.gz ZGSGZYHQNBCHDI-APDGPGDQSA-N 0 0 434.577 6.534 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccc(C)cc1 ZINC000002449291 568859453 /nfs/dbraw/zinc/85/94/53/568859453.db2.gz HTXUKUBFTALNFY-UHFFFAOYSA-N 0 0 445.386 5.075 40 0 IKABRN Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000003202816 568859626 /nfs/dbraw/zinc/85/96/26/568859626.db2.gz QYFIAPRKIBYFHE-PXLXIMEGSA-N 0 0 431.333 5.900 40 0 IKABRN Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)OCc3c(F)cccc3Cl)c2)cc1 ZINC000024522593 568860667 /nfs/dbraw/zinc/86/06/67/568860667.db2.gz QCNQPHXGSJQTOD-UHFFFAOYSA-N 0 0 432.900 5.118 40 0 IKABRN O=C(c1ccccc1)c1c(NCc2ccc(Cl)c(Cl)c2)ccnc1C(F)(F)F ZINC000027062613 568863051 /nfs/dbraw/zinc/86/30/51/568863051.db2.gz MGXGHTXLGPHBBH-UHFFFAOYSA-N 0 0 425.237 6.250 40 0 IKABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1sc(-c2ccccc2)nc1C ZINC000028540192 568864560 /nfs/dbraw/zinc/86/45/60/568864560.db2.gz WYUFNGJXDJQKJN-UHFFFAOYSA-N 0 0 428.535 5.120 40 0 IKABRN Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(-c2nc3cc(C(C)C)ccc3o2)c1O ZINC000030830738 568865722 /nfs/dbraw/zinc/86/57/22/568865722.db2.gz SLNBYLSDGKKOSI-UHFFFAOYSA-N 0 0 427.715 5.941 40 0 IKABRN COC(=O)c1ccc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2c1 ZINC000584577519 568865806 /nfs/dbraw/zinc/86/58/06/568865806.db2.gz JLNHPCVHPGFEEB-UHFFFAOYSA-N 0 0 426.556 6.770 40 0 IKABRN CC1=C2C[C@H](O)CC[C@@]2(C)[C@@H]2CC[C@]3(C)[C@H](C[C@H]4O[C@@]5(CC[C@@H](C)CO5)[C@H](C)[C@H]43)[C@H]2C1 ZINC000584578039 568865958 /nfs/dbraw/zinc/86/59/58/568865958.db2.gz RJQCTQMDJCNDGK-XUKDSFMXSA-N 0 0 428.657 6.104 40 0 IKABRN Fc1ccccc1COc1nc2ccccc2nc1/C=C\c1ccc(Cl)cc1Cl ZINC000036092278 568867325 /nfs/dbraw/zinc/86/73/25/568867325.db2.gz AYPJWJLDINPTMW-BENRWUELSA-N 0 0 425.290 6.825 40 0 IKABRN Cc1ccc(C(=O)N2CC3(CCOCC3)c3cc(-c4cnn(CC5CC5)c4)ccc32)s1 ZINC000585105899 568872800 /nfs/dbraw/zinc/87/28/00/568872800.db2.gz XATWPMXATYUVFG-UHFFFAOYSA-N 0 0 433.577 5.039 40 0 IKABRN S=C(NCCCCNC(=S)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000016210884 568873182 /nfs/dbraw/zinc/87/31/82/568873182.db2.gz GQTVHLLUJRGGBO-UHFFFAOYSA-N 0 0 427.426 5.047 40 0 IKABRN CC1(C)Oc2ccc(OCc3ccccc3)cc2[C@H]2O[C@@H](CCc3ccccc3)CC[C@@H]21 ZINC000585263297 568873471 /nfs/dbraw/zinc/87/34/71/568873471.db2.gz WCQLGSXTLWITCI-PAUTXSKSSA-N 0 0 428.572 6.906 40 0 IKABRN CCCc1cnc(Nc2cc(C)nc(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 ZINC000585263453 568873588 /nfs/dbraw/zinc/87/35/88/568873588.db2.gz KCQULUKAGTWTNH-UHFFFAOYSA-N 0 0 431.606 5.127 40 0 IKABRN O=C(c1ccccc1Nc1ccccc1)N1CCC2(C[C@@H](Oc3ccccc3F)CO2)CC1 ZINC000585261779 568873616 /nfs/dbraw/zinc/87/36/16/568873616.db2.gz JLWXCJSYRVZKFW-OAQYLSRUSA-N 0 0 446.522 5.412 40 0 IKABRN O=C(N1CCC2(C[C@H](Oc3ccccc3F)CO2)CC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000585261844 568873620 /nfs/dbraw/zinc/87/36/20/568873620.db2.gz XEGAOZHZTQHXFY-FQEVSTJZSA-N 0 0 443.946 5.130 40 0 IKABRN O=C(N1CCC[C@@H](Cc2ccc3ncccc3c2)C1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000585262012 568873655 /nfs/dbraw/zinc/87/36/55/568873655.db2.gz WYKUKUKNEJVMMG-QHCPKHFHSA-N 0 0 446.566 5.195 40 0 IKABRN CCCc1cnc(Nc2cc(C)nc(CC3CCN(C(=O)C4CCCCC4)CC3)n2)s1 ZINC000585263387 568873658 /nfs/dbraw/zinc/87/36/58/568873658.db2.gz GOHQDSSATPUWAE-UHFFFAOYSA-N 0 0 441.645 5.299 40 0 IKABRN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585262911 568873862 /nfs/dbraw/zinc/87/38/62/568873862.db2.gz OXZXLMFEQWGJET-QGZVFWFLSA-N 0 0 434.902 5.209 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(F)cn3)cs2)cc1 ZINC000585268790 568874460 /nfs/dbraw/zinc/87/44/60/568874460.db2.gz PKYNRBUBWCUMSV-OAQYLSRUSA-N 0 0 438.572 5.564 40 0 IKABRN CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(C)nc3Cl)cs2)cc1 ZINC000585295105 568874485 /nfs/dbraw/zinc/87/44/85/568874485.db2.gz LWWZVPCKLWMWGQ-HXUWFJFHSA-N 0 0 441.000 5.652 40 0 IKABRN CCCCCC(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585268755 568874562 /nfs/dbraw/zinc/87/45/62/568874562.db2.gz ILZLDOKQBZWCQU-VWLOTQADSA-N 0 0 449.035 5.311 40 0 IKABRN Cc1cc(CN2CCC[C@H]2c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)no1 ZINC000585268795 568874584 /nfs/dbraw/zinc/87/45/84/568874584.db2.gz RXEWCQNCBIIOLD-KRWDZBQOSA-N 0 0 436.459 5.048 40 0 IKABRN CC(C)NC(=O)COc1cccc([C@@H]2OC[C@@H](c3ccc(Cl)cc3)C[C@H]2C(C)C)c1 ZINC000585293370 568874647 /nfs/dbraw/zinc/87/46/47/568874647.db2.gz VULFSOVJYFLURK-OPHFCASCSA-N 0 0 429.988 5.761 40 0 IKABRN COc1ccc(-c2cccc(C(=O)N3CC[C@@H](Cc4ccnc5ccccc45)C3)c2C)cc1 ZINC000585294308 568874735 /nfs/dbraw/zinc/87/47/35/568874735.db2.gz WTDLSXMZOLFTSV-NRFANRHFSA-N 0 0 436.555 5.924 40 0 IKABRN O=C(Cc1cccc2ccccc21)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 ZINC000008872256 568877770 /nfs/dbraw/zinc/87/77/70/568877770.db2.gz JTDDFUYPQQBTJS-UHFFFAOYSA-N 0 0 448.547 6.376 40 0 IKABRN COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000001236154 568886155 /nfs/dbraw/zinc/88/61/55/568886155.db2.gz NKPRFZGSTQTGKD-QHCPKHFHSA-N 0 0 436.577 5.047 40 0 IKABRN COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000001236182 568886238 /nfs/dbraw/zinc/88/62/38/568886238.db2.gz LPRZUPVYUTVFNV-NRFANRHFSA-N 0 0 442.606 5.109 40 0 IKABRN COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@@H](c2ccsc2)N2CCOCC2)cc1 ZINC000001236179 568886243 /nfs/dbraw/zinc/88/62/43/568886243.db2.gz FTUIHSZENVVENA-OAQYLSRUSA-N 0 0 442.606 5.109 40 0 IKABRN C=C/C=C(\C=C(/COC)OC)C1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000013482112 568892905 /nfs/dbraw/zinc/89/29/05/568892905.db2.gz MVQVXSFPVVYWAX-VPGZUFKVSA-N 0 0 426.340 5.018 40 0 IKABRN O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000033747808 568896111 /nfs/dbraw/zinc/89/61/11/568896111.db2.gz UUENVKHVYBAYBA-ZBYWLPPUSA-N 0 0 440.518 6.028 40 0 IKABRN CCc1ccc(-c2cs/c(=N/c3ccc(SC(F)F)cc3)n2[C@@H](C)COC)cc1 ZINC000103370279 568896139 /nfs/dbraw/zinc/89/61/39/568896139.db2.gz ZGSGZYHQNBCHDI-XBWRSUJGSA-N 0 0 434.577 6.534 40 0 IKABRN CCc1cc([C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298711 568897391 /nfs/dbraw/zinc/89/73/91/568897391.db2.gz GXDXEDQFFMXWET-HSZRJFAPSA-N 0 0 437.584 5.039 40 0 IKABRN CCOc1ccc(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)C[C@@H]2c2ccccc2)cc1 ZINC000000841663 568897795 /nfs/dbraw/zinc/89/77/95/568897795.db2.gz BHHYYKURYGQDOL-FQRUVTKNSA-N 0 0 430.500 5.439 40 0 IKABRN CC(=O)c1ccc(-n2c(-c3ccc(Cl)cc3)csc2=NC(=O)c2ccccc2)cc1 ZINC000100840831 568900281 /nfs/dbraw/zinc/90/02/81/568900281.db2.gz LHZNKHFGDSDGSP-LCUIJRPUSA-N 0 0 432.932 5.803 40 0 IKABRN Fc1ccc(/N=c2/scc(-c3ccccc3Cl)n2Cc2ccc(Cl)cc2)cc1 ZINC000102962671 568900577 /nfs/dbraw/zinc/90/05/77/568900577.db2.gz AKBZGNFXWUWXDH-XTCLZLMSSA-N 0 0 429.347 6.943 40 0 IKABRN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1cc(C)cc(C)c1 ZINC000001944156 568923687 /nfs/dbraw/zinc/92/36/87/568923687.db2.gz KMUHUFNWYCADRJ-UHFFFAOYSA-N 0 0 427.497 5.365 40 0 IKABRN CCSC1=NN2[C@H](c3ccc(-c4ccccc4Cl)o3)Nc3ccccc3[C@@H]2C(=O)N1 ZINC000588229261 568927025 /nfs/dbraw/zinc/92/70/25/568927025.db2.gz QADFWMJXARIJPA-WOJBJXKFSA-N 0 0 438.940 5.221 40 0 IKABRN CCc1ccc(C(=O)Nc2c(C)c(Br)c(N)c(Br)c2CC)cc1 ZINC000045890932 568927813 /nfs/dbraw/zinc/92/78/13/568927813.db2.gz YEHCBSUHZRXZCT-UHFFFAOYSA-N 0 0 440.179 5.479 40 0 IKABRN CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(F)cc1 ZINC000045891035 568927849 /nfs/dbraw/zinc/92/78/49/568927849.db2.gz IXSJDBLANGGLQG-UHFFFAOYSA-N 0 0 430.115 5.056 40 0 IKABRN Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1Cl ZINC000045890992 568927915 /nfs/dbraw/zinc/92/79/15/568927915.db2.gz VOLCYYVWEONVMU-UHFFFAOYSA-N 0 0 432.543 5.316 40 0 IKABRN CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(C)cc1 ZINC000045890911 568927966 /nfs/dbraw/zinc/92/79/66/568927966.db2.gz SASJQVKIWJNNLH-UHFFFAOYSA-N 0 0 426.152 5.225 40 0 IKABRN CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2OC)o1 ZINC000057353789 568930298 /nfs/dbraw/zinc/93/02/98/568930298.db2.gz JBMHROIMAHWCCN-FNORWQNLSA-N 0 0 430.092 5.057 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c1C ZINC000002546454 569097438 /nfs/dbraw/zinc/09/74/38/569097438.db2.gz XKRJOCZTXQEHDJ-HSZRJFAPSA-N 0 0 447.991 6.867 40 0 IKABRN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000004428299 569155380 /nfs/dbraw/zinc/15/53/80/569155380.db2.gz YXHQCPFGXOFHLR-GCXHJFECSA-N 0 0 442.558 7.122 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000016739421 569160611 /nfs/dbraw/zinc/16/06/11/569160611.db2.gz HUHOBYPMBGSPER-UHFFFAOYSA-N 0 0 438.336 5.249 40 0 IKABRN O=C(Cn1nc(-c2ccc(Br)cc2)oc1=S)c1ccc(OC(F)F)cc1 ZINC000016768778 569161481 /nfs/dbraw/zinc/16/14/81/569161481.db2.gz TUCBVNXNDGFQDG-UHFFFAOYSA-N 0 0 441.253 5.119 40 0 IKABRN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3Cl)n(-c3ccccc3)c2=S)c(C)c1 ZINC000016768804 569161510 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ODOSGAXLCZRSGI-DEOSSOPVSA-N 0 0 432.543 5.269 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3ccc4c(c3)ncn4C)CC2)n1 ZINC000019691193 569227687 /nfs/dbraw/zinc/22/76/87/569227687.db2.gz LCQIGNLWKQFKSZ-UHFFFAOYSA-N 0 0 428.511 5.103 40 0 IKABRN COCCOc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 ZINC000019691252 569227688 /nfs/dbraw/zinc/22/76/88/569227688.db2.gz LYGXHUKWQLWNPA-RUZDIDTESA-N 0 0 434.511 5.199 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CC2)n1 ZINC000019691228 569227704 /nfs/dbraw/zinc/22/77/04/569227704.db2.gz NVQSLHIRJTTYGX-HSZRJFAPSA-N 0 0 443.522 5.028 40 0 IKABRN COc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1OC ZINC000019691499 569227775 /nfs/dbraw/zinc/22/77/75/569227775.db2.gz NTLWKXQOCXUOGF-QHCPKHFHSA-N 0 0 434.511 5.120 40 0 IKABRN CCOc1ccccc1Cc1ccc([C@@H]2CN(Cc3c(C)nn(C(C)C)c3C)CCO2)nc1 ZINC000019692282 569227783 /nfs/dbraw/zinc/22/77/83/569227783.db2.gz RTZJLUNWWLCVFG-MHZLTWQESA-N 0 0 448.611 5.039 40 0 IKABRN COCCOc1ccc(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1 ZINC000019691414 569227824 /nfs/dbraw/zinc/22/78/24/569227824.db2.gz BXCGYQMBKQGJDM-UHFFFAOYSA-N 0 0 430.548 5.102 40 0 IKABRN CCOc1ccccc1Cc1ccc([C@H]2CN(Cc3c(C)nn(C(C)C)c3C)CCO2)nc1 ZINC000019692283 569227943 /nfs/dbraw/zinc/22/79/43/569227943.db2.gz RTZJLUNWWLCVFG-HHHXNRCGSA-N 0 0 448.611 5.039 40 0 IKABRN Cc1c(CN2CCO[C@H](c3c4cccnc4sc3C(=O)NC(C)C)C2)oc2ccccc12 ZINC000019703306 569233051 /nfs/dbraw/zinc/23/30/51/569233051.db2.gz STAFLXCTDUJHQH-NRFANRHFSA-N 0 0 449.576 5.063 40 0 IKABRN CCN(C(=O)c1cnn(C)c1C)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 ZINC000019711912 569235089 /nfs/dbraw/zinc/23/50/89/569235089.db2.gz YDTBEAZMYNEOBZ-GBXCKJPGSA-N 0 0 439.506 5.056 40 0 IKABRN CCN(C(=O)c1snnc1C)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 ZINC000019711971 569235096 /nfs/dbraw/zinc/23/50/96/569235096.db2.gz YZZVPLDRIFZOGL-LEWJYISDSA-N 0 0 443.519 5.174 40 0 IKABRN CCN(C(=O)C1CCCCC1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712681 569235278 /nfs/dbraw/zinc/23/52/78/569235278.db2.gz DQHRTVXDXYXTNE-RTWAWAEBSA-N 0 0 441.597 5.044 40 0 IKABRN CCN(C(=O)c1ccccc1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3ncccc3C)cc2)C1 ZINC000019712685 569235320 /nfs/dbraw/zinc/23/53/20/569235320.db2.gz FQALMZMFWACAPW-RPWUZVMVSA-N 0 0 443.547 5.025 40 0 IKABRN COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2Cc2ccc(C)c(C)c2)nc1C ZINC000019755655 569236856 /nfs/dbraw/zinc/23/68/56/569236856.db2.gz YFEUEYRAMGSYAF-DEOSSOPVSA-N 0 0 444.579 5.390 40 0 IKABRN Cc1nc([C@H]2CCCCN2Cc2cccc3ncccc23)ncc1C(=O)Nc1ccccc1 ZINC000019755776 569236862 /nfs/dbraw/zinc/23/68/62/569236862.db2.gz MKTLIYMYMZJBGZ-RUZDIDTESA-N 0 0 437.547 5.313 40 0 IKABRN Cc1nc([C@H]2CCCCN2C(=O)CC2CCCCC2)ncc1C(=O)Nc1ccccc1F ZINC000019764696 569238475 /nfs/dbraw/zinc/23/84/75/569238475.db2.gz AAMQPUWSIVFYHT-JOCHJYFZSA-N 0 0 438.547 5.200 40 0 IKABRN Cc1nc([C@@H]2CCCCN2C(=O)CC2CCCCC2)ncc1C(=O)Nc1ccccc1F ZINC000019764694 569238480 /nfs/dbraw/zinc/23/84/80/569238480.db2.gz AAMQPUWSIVFYHT-QFIPXVFZSA-N 0 0 438.547 5.200 40 0 IKABRN Cc1ccc(CN2CCCC[C@@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)cc1C ZINC000019764740 569238532 /nfs/dbraw/zinc/23/85/32/569238532.db2.gz IQCPJICIZLOOBD-XMMPIXPASA-N 0 0 432.543 5.520 40 0 IKABRN Cc1nc([C@@H]2CCCCN2C(=O)CC2CCCC2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019764875 569238672 /nfs/dbraw/zinc/23/86/72/569238672.db2.gz SGRHWJLGCJHEFP-NRFANRHFSA-N 0 0 440.975 5.325 40 0 IKABRN Cc1nc([C@H]2CCCCN2C(=O)CC2CCCC2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019764877 569238679 /nfs/dbraw/zinc/23/86/79/569238679.db2.gz SGRHWJLGCJHEFP-OAQYLSRUSA-N 0 0 440.975 5.325 40 0 IKABRN O=C(NCCSCc1cccc(Cl)c1)c1ccc(CSCc2ccccc2)cc1 ZINC000020238905 569241064 /nfs/dbraw/zinc/24/10/64/569241064.db2.gz DVRJASVCMWFLIQ-UHFFFAOYSA-N 0 0 442.049 6.437 40 0 IKABRN COc1ccc(C)cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000020239771 569241261 /nfs/dbraw/zinc/24/12/61/569241261.db2.gz SAMMUFNXXJYVTJ-VWLOTQADSA-N 0 0 432.545 5.030 40 0 IKABRN CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000023163189 569241740 /nfs/dbraw/zinc/24/17/40/569241740.db2.gz NMGIEHZDMZFICT-WUXMJOGZSA-N 0 0 425.699 5.600 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000024719850 569241820 /nfs/dbraw/zinc/24/18/20/569241820.db2.gz ZSVQTCUTAQXGOH-UHFFFAOYSA-N 0 0 443.576 5.239 40 0 IKABRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000032789372 569243561 /nfs/dbraw/zinc/24/35/61/569243561.db2.gz DGQCNDQKGHDKCO-OQLLNIDSSA-N 0 0 435.324 5.072 40 0 IKABRN CCOC(=O)c1c(NC(=O)CSc2cccc3ccccc32)sc2c1CCCC2 ZINC000032692432 569243589 /nfs/dbraw/zinc/24/35/89/569243589.db2.gz RJEBHESAFLCEBT-UHFFFAOYSA-N 0 0 425.575 5.688 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccccc1 ZINC000032686108 569243597 /nfs/dbraw/zinc/24/35/97/569243597.db2.gz HHNKXCJRAVMKAV-UHFFFAOYSA-N 0 0 428.561 5.536 40 0 IKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000033388997 569243727 /nfs/dbraw/zinc/24/37/27/569243727.db2.gz OKQRQCXRVDDKDT-CYBMUJFWSA-N 0 0 435.380 5.388 40 0 IKABRN CCc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccncc2)cc1 ZINC000033408767 569243982 /nfs/dbraw/zinc/24/39/82/569243982.db2.gz GUQPHTHFDCZIGV-UHFFFAOYSA-N 0 0 441.387 6.491 40 0 IKABRN Cc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)c1 ZINC000033451189 569244094 /nfs/dbraw/zinc/24/40/94/569244094.db2.gz LHJZMMTYFFTESZ-UHFFFAOYSA-N 0 0 439.427 6.224 40 0 IKABRN CCOc1cc(C)ccc1OCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000033439035 569244106 /nfs/dbraw/zinc/24/41/06/569244106.db2.gz SWNBSYLWNXJYER-UHFFFAOYSA-N 0 0 438.380 5.700 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)c1 ZINC000033475631 569244208 /nfs/dbraw/zinc/24/42/08/569244208.db2.gz OVJDEKRTQVDGKT-UHFFFAOYSA-N 0 0 444.556 5.818 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5o4)c3)o2)cc1C ZINC000033508656 569244288 /nfs/dbraw/zinc/24/42/88/569244288.db2.gz PEKDLRNJOPMPKL-UHFFFAOYSA-N 0 0 442.902 7.277 40 0 IKABRN CC1CCN(C(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)CC1 ZINC000033525317 569244366 /nfs/dbraw/zinc/24/43/66/569244366.db2.gz GRSVJHWPDYKGEA-UHFFFAOYSA-N 0 0 428.812 6.633 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(Br)cc3C)o2)c1 ZINC000033570532 569244599 /nfs/dbraw/zinc/24/45/99/569244599.db2.gz CGSRQIKLNIFRQD-UHFFFAOYSA-N 0 0 432.343 5.155 40 0 IKABRN Clc1ccc(-c2nnc(SCc3cccc4ccccc43)n2-c2ccccc2)cc1 ZINC000033591297 569244843 /nfs/dbraw/zinc/24/48/43/569244843.db2.gz DRYSGBKKXNKXMG-UHFFFAOYSA-N 0 0 427.960 7.033 40 0 IKABRN Cc1cc(C)cc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033590985 569244854 /nfs/dbraw/zinc/24/48/54/569244854.db2.gz IZGPGTMXNZWPRU-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN O=C(NC(=S)Nc1cccc2cc(O)ccc21)c1cc(Br)ccc1Cl ZINC000033612289 569244997 /nfs/dbraw/zinc/24/49/97/569244997.db2.gz ZLMLDLGRHLEZGZ-UHFFFAOYSA-N 0 0 435.730 5.088 40 0 IKABRN CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033634399 569245187 /nfs/dbraw/zinc/24/51/87/569245187.db2.gz WHFXMDAPJLOJQK-UHFFFAOYSA-N 0 0 442.918 5.816 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000033652883 569245342 /nfs/dbraw/zinc/24/53/42/569245342.db2.gz QGVSRQLSOAPFSG-UHFFFAOYSA-N 0 0 436.766 7.237 40 0 IKABRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000033658268 569245464 /nfs/dbraw/zinc/24/54/64/569245464.db2.gz KQHOSDXXQVAXTA-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)NC1CCCCC1 ZINC000033658216 569245513 /nfs/dbraw/zinc/24/55/13/569245513.db2.gz ISOOBHRMKCNULQ-UHFFFAOYSA-N 0 0 441.380 5.165 40 0 IKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2cccc(C)c2)cc1 ZINC000033662097 569245527 /nfs/dbraw/zinc/24/55/27/569245527.db2.gz KNFJYJVLEMURSB-UHFFFAOYSA-N 0 0 430.367 5.461 40 0 IKABRN COc1cc(CNc2cccc(Cl)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000033666815 569245580 /nfs/dbraw/zinc/24/55/80/569245580.db2.gz UMVHDZMIBSRINY-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3n2)cc1 ZINC000033664031 569245605 /nfs/dbraw/zinc/24/56/05/569245605.db2.gz DUELRFFZGKJXCY-UHFFFAOYSA-N 0 0 436.515 6.112 40 0 IKABRN CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000033662752 569245610 /nfs/dbraw/zinc/24/56/10/569245610.db2.gz YEVNHHCCGCTLFF-UHFFFAOYSA-N 0 0 432.564 5.949 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3)nc2c1 ZINC000033664681 569245642 /nfs/dbraw/zinc/24/56/42/569245642.db2.gz BCBBHCAZBOMOQI-UHFFFAOYSA-N 0 0 436.511 7.186 40 0 IKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000033710945 569245953 /nfs/dbraw/zinc/24/59/53/569245953.db2.gz JVAFFSIOPYEOTE-NRFANRHFSA-N 0 0 440.952 5.687 40 0 IKABRN CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000033705039 569245980 /nfs/dbraw/zinc/24/59/80/569245980.db2.gz XAQNVUYVMRDDDJ-UHFFFAOYSA-N 0 0 435.549 5.429 40 0 IKABRN O=C(NC(=S)Nc1ccc2ccccc2c1)c1sc2cc(Cl)ccc2c1Cl ZINC000033714539 569246126 /nfs/dbraw/zinc/24/61/26/569246126.db2.gz ZALNXHKBTSZLED-UHFFFAOYSA-N 0 0 431.369 6.488 40 0 IKABRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Cl)cc2)n1C ZINC000033716509 569246161 /nfs/dbraw/zinc/24/61/61/569246161.db2.gz FXOIBKAUDLHGQV-SFHVURJKSA-N 0 0 449.407 5.541 40 0 IKABRN COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1Cl ZINC000033729292 569246226 /nfs/dbraw/zinc/24/62/26/569246226.db2.gz PFZOTJAZXJNWSF-UHFFFAOYSA-N 0 0 431.319 5.632 40 0 IKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1c(OCC)ccc2ccc(OCC)cc21 ZINC000033751050 569246459 /nfs/dbraw/zinc/24/64/59/569246459.db2.gz FIOYVBHBMRCJIN-JOCHJYFZSA-N 0 0 438.549 5.405 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2C)cc1C ZINC000033775788 569246740 /nfs/dbraw/zinc/24/67/40/569246740.db2.gz YWDYYQUTIULXTC-UHFFFAOYSA-N 0 0 444.556 5.818 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(Cl)c3)cc2Cl)cc1C ZINC000033784035 569246825 /nfs/dbraw/zinc/24/68/25/569246825.db2.gz QNGZCEBPJDHEGP-UHFFFAOYSA-N 0 0 443.374 6.548 40 0 IKABRN CCCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2Cl)cc1OCC ZINC000033785103 569246841 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ZINC000257274135 569277645 /nfs/dbraw/zinc/27/76/45/569277645.db2.gz NJRVTBKNZPWBJH-LJAQVGFWSA-N 0 0 449.635 5.300 40 0 IKABRN Cc1nc(-c2cccnc2)sc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257271377 569277696 /nfs/dbraw/zinc/27/76/96/569277696.db2.gz MYAJOQFBULUEHC-HXUWFJFHSA-N 0 0 444.560 5.112 40 0 IKABRN COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4ncc(Cc5cccc(Cl)c5)o4)C3)c2c1 ZINC000257271465 569277698 /nfs/dbraw/zinc/27/76/98/569277698.db2.gz MYLCIIXTOWVHCU-QGZVFWFLSA-N 0 0 449.938 5.429 40 0 IKABRN O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@]2(CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000257277926 569277765 /nfs/dbraw/zinc/27/77/65/569277765.db2.gz OABFEDVJSNECNS-XMMPIXPASA-N 0 0 438.911 5.104 40 0 IKABRN CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000257277631 569277768 /nfs/dbraw/zinc/27/77/68/569277768.db2.gz NYUGYUCHYWMPIA-UHFFFAOYSA-N 0 0 440.587 5.345 40 0 IKABRN Cc1nccn1Cc1cccc(C(=O)N2CCC[C@@H](Cc3cccc4cccnc43)CC2)c1 ZINC000257278775 569277806 /nfs/dbraw/zinc/27/78/06/569277806.db2.gz 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CCCCCOc1ccc(C(=O)Oc2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1 ZINC000329070639 569285746 /nfs/dbraw/zinc/28/57/46/569285746.db2.gz ZIPVEHGURPTFEO-RQNOJGIXSA-N 0 0 436.636 8.329 40 0 IKABRN C[C@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@]1(C)C[C@H](Cc1cccnc1)[C@H]2O ZINC000252495774 569287985 /nfs/dbraw/zinc/28/79/85/569287985.db2.gz OZTJWHHQFTUXEG-RGLPTZQCSA-N 0 0 439.684 6.175 40 0 IKABRN COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1OCc1c(Cl)cccc1Cl ZINC000062714841 569288550 /nfs/dbraw/zinc/28/85/50/569288550.db2.gz PTOWHDHDGDLOMK-WUXMJOGZSA-N 0 0 444.314 5.939 40 0 IKABRN COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000062715807 569288708 /nfs/dbraw/zinc/28/87/08/569288708.db2.gz NLPWPSYOOUOQQC-LZYBPNLTSA-N 0 0 431.532 5.929 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253497741 569289129 /nfs/dbraw/zinc/28/91/29/569289129.db2.gz AHQGBTJUQBJWCN-NHCJRXCKSA-N 0 0 436.592 6.107 40 0 IKABRN COc1ccc(N[C@H](c2ccc(Br)cc2)[P@@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000008763954 569290329 /nfs/dbraw/zinc/29/03/29/569290329.db2.gz OWKYCHXIPTVBLP-ALRVBVLOSA-N 0 0 426.247 5.587 40 0 IKABRN Cc1ccc2sc(-c3ccc(NC(=O)[C@H]4CCCN4C(=O)c4cccs4)cc3)nc2c1 ZINC000008816053 569290793 /nfs/dbraw/zinc/29/07/93/569290793.db2.gz SSZGUOJBZBTMDG-LJQANCHMSA-N 0 0 447.585 5.577 40 0 IKABRN FC(F)(F)c1nnc2n1N=C(c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)S2 ZINC000008894157 569292055 /nfs/dbraw/zinc/29/20/55/569292055.db2.gz NMXOXVYGBYKIPW-UHFFFAOYSA-N 0 0 441.265 6.003 40 0 IKABRN C[C@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@H]2CCCC[C@H]12 ZINC000009059393 569293423 /nfs/dbraw/zinc/29/34/23/569293423.db2.gz QANJKHRCIWLGFM-XEOJFFABSA-N 0 0 446.517 5.584 40 0 IKABRN CC1(C)c2ccccc2N2[C@@H](C(=O)Nc3ccccc3)[C@@H]3C[C@@]21Oc1ccc2ccccc2c13 ZINC000009185614 569294073 /nfs/dbraw/zinc/29/40/73/569294073.db2.gz PMHSFIULDHIJHK-MBBMMDPKSA-N 0 0 446.550 6.221 40 0 IKABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000009462245 569296464 /nfs/dbraw/zinc/29/64/64/569296464.db2.gz VFLVERBIEIQBPN-HBMCJLEFSA-N 0 0 439.298 5.045 40 0 IKABRN O=C1[C@H]2[C@H](C(=O)N1c1cccc3cccnc31)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000009600911 569297444 /nfs/dbraw/zinc/29/74/44/569297444.db2.gz TZTZHUYTZKHNCN-OQUNMALSSA-N 0 0 430.507 5.478 40 0 IKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000070664507 569315229 /nfs/dbraw/zinc/31/52/29/569315229.db2.gz KEOLCBLQBIWDBI-MQESPVGQSA-N 0 0 446.672 5.155 40 0 biogenic IKABRN CN(C)C(=O)c1cc([C@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2ccccc21 ZINC000019760957 569328739 /nfs/dbraw/zinc/32/87/39/569328739.db2.gz VYXASMSFKCBXOC-NRFANRHFSA-N 0 0 449.554 5.233 40 0 IKABRN COc1cc(C)ccc1CN1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000019765107 569329117 /nfs/dbraw/zinc/32/91/17/569329117.db2.gz XVYAGNZWTPVULG-HSZRJFAPSA-N 0 0 448.542 5.221 40 0 IKABRN c1ccc(Sc2nc(Nc3ccc4ccccc4c3)sc2Sc2ccccc2)cc1 ZINC000019958656 569332290 /nfs/dbraw/zinc/33/22/90/569332290.db2.gz ZDVGJRFYRRNENM-UHFFFAOYSA-N 0 0 442.634 8.342 40 0 IKABRN Cc1ccccc1Cn1c2c(-c3ccc(Cl)cc3)sc(=S)n2c2ccccc2c1=O ZINC000020378362 569362417 /nfs/dbraw/zinc/36/24/17/569362417.db2.gz CVZYTHCXKAOLCU-UHFFFAOYSA-N 0 0 449.000 6.722 40 0 IKABRN Cc1ccc(-c2sc(=S)n3c2n(Cc2ccccc2F)c(=O)c2ccccc23)cc1 ZINC000020378566 569362425 /nfs/dbraw/zinc/36/24/25/569362425.db2.gz JKKMDBYHGPGGRE-UHFFFAOYSA-N 0 0 432.545 6.208 40 0 IKABRN Cc1c2ccccc2oc1-c1nnc2sc(COc3ccc(Cl)cc3Cl)nn21 ZINC000096194335 569386234 /nfs/dbraw/zinc/38/62/34/569386234.db2.gz RGGCCYCFJFDRKE-UHFFFAOYSA-N 0 0 431.304 5.793 40 0 IKABRN C[C@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@]1(C)C[C@H](Cc1ccccc1)[C@@H]2O ZINC000242495352 569396316 /nfs/dbraw/zinc/39/63/16/569396316.db2.gz GCLTXTVXGOMTNM-LMBGGLNVSA-N 0 0 438.696 6.780 40 0 IKABRN O=C(Cn1ccc(=NC(=O)c2ccccc2)c2ccccc21)c1ccc(Br)cc1 ZINC000334157165 569402139 /nfs/dbraw/zinc/40/21/39/569402139.db2.gz AMBXNKMSKOUVPR-UHFFFAOYSA-N 0 0 445.316 5.028 40 0 IKABRN O=C(c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CCCCCC1 ZINC000002474676 569404449 /nfs/dbraw/zinc/40/44/49/569404449.db2.gz NNYZHYNXLTWYPL-LSDHHAIUSA-N 0 0 426.870 5.213 40 0 IKABRN COC(=O)c1c(NC(=O)c2cccc(Br)c2)sc(C)c1-c1ccc(F)cc1 ZINC000028048211 569406539 /nfs/dbraw/zinc/40/65/39/569406539.db2.gz AXQKQQQALDDUDF-UHFFFAOYSA-N 0 0 448.313 5.664 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(OCC(=O)NCCOc2cccc3ccccc32)cc1 ZINC000002553822 569409176 /nfs/dbraw/zinc/40/91/76/569409176.db2.gz NOCXKPDPAZVIIB-UHFFFAOYSA-N 0 0 439.555 5.740 40 0 IKABRN COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc(C)c1-c1ccc(F)cc1 ZINC000028284439 569409500 /nfs/dbraw/zinc/40/95/00/569409500.db2.gz VPLBDFNTGJRTFD-UHFFFAOYSA-N 0 0 427.497 5.284 40 0 IKABRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)COc1cc(C)cc(C)c1 ZINC000028284445 569409567 /nfs/dbraw/zinc/40/95/67/569409567.db2.gz QJXHPLVPDXIYRB-UHFFFAOYSA-N 0 0 437.561 5.843 40 0 IKABRN O=C(Nc1ccccc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(Br)cc1 ZINC000028527178 569410568 /nfs/dbraw/zinc/41/05/68/569410568.db2.gz DGRSCZQHTRXFDJ-UHFFFAOYSA-N 0 0 440.345 5.006 40 0 IKABRN CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000028527779 569410705 /nfs/dbraw/zinc/41/07/05/569410705.db2.gz SBMBPLQNSVRNPG-UHFFFAOYSA-N 0 0 439.947 5.295 40 0 IKABRN COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)c(Cl)c2)cc1 ZINC000028528005 569410752 /nfs/dbraw/zinc/41/07/52/569410752.db2.gz PLEYXRDGOJDEPH-UHFFFAOYSA-N 0 0 439.947 5.214 40 0 IKABRN COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)c(Cl)c2)c1 ZINC000028534709 569410856 /nfs/dbraw/zinc/41/08/56/569410856.db2.gz NKAAHFNKQFQKIH-UHFFFAOYSA-N 0 0 439.947 5.214 40 0 IKABRN COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(F)c(Cl)c2)c1 ZINC000028534641 569410879 /nfs/dbraw/zinc/41/08/79/569410879.db2.gz JAQHZIOKHGRPHG-UHFFFAOYSA-N 0 0 443.910 5.044 40 0 IKABRN Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1C(=O)c1cccs1 ZINC000028535392 569410944 /nfs/dbraw/zinc/41/09/44/569410944.db2.gz BEQLSAKOFBGUFW-UHFFFAOYSA-N 0 0 430.316 5.533 40 0 IKABRN Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 ZINC000028535234 569410958 /nfs/dbraw/zinc/41/09/58/569410958.db2.gz QALPNXHYDFSSIU-UHFFFAOYSA-N 0 0 437.421 5.492 40 0 IKABRN Cc1ccccc1Cn1c2c(-c3ccccc3C)sc(=S)n2c2ccccc2c1=O ZINC000002693337 569417115 /nfs/dbraw/zinc/41/71/15/569417115.db2.gz DXDKHWXWZSMKCJ-UHFFFAOYSA-N 0 0 428.582 6.377 40 0 IKABRN CCc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000002799263 569422250 /nfs/dbraw/zinc/42/22/50/569422250.db2.gz YWGUSKVCTFZTCL-AWEZNQCLSA-N 0 0 431.483 5.844 40 0 IKABRN CCCOc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3)c2C(=O)OC)cc1 ZINC000002889755 569424284 /nfs/dbraw/zinc/42/42/84/569424284.db2.gz MZGGXPBDHYPGNT-UHFFFAOYSA-N 0 0 439.533 5.316 40 0 IKABRN CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)C1 ZINC000227056182 569431437 /nfs/dbraw/zinc/43/14/37/569431437.db2.gz KWLHNLSVNFCTMO-AUBMYDRESA-N 0 0 425.956 5.106 40 0 IKABRN FC(F)(F)c1cccc(Nc2nc3nonc3nc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000003146372 569440897 /nfs/dbraw/zinc/44/08/97/569440897.db2.gz MYEWADJVWRYMFL-UHFFFAOYSA-N 0 0 440.307 5.538 40 0 IKABRN CC(C)(C)C(=O)N[C@H](Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003150451 569440961 /nfs/dbraw/zinc/44/09/61/569440961.db2.gz STKJOJXWEOXECZ-JTQLQIEISA-N 0 0 426.986 5.917 40 0 IKABRN CC(C)(C)C(=O)N[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003150452 569440973 /nfs/dbraw/zinc/44/09/73/569440973.db2.gz STKJOJXWEOXECZ-SNVBAGLBSA-N 0 0 426.986 5.917 40 0 IKABRN Cc1ccc(-c2nc(Oc3ccc(Br)cc3)nc(-c3ccc(C)cc3)n2)cc1 ZINC000003179034 569441326 /nfs/dbraw/zinc/44/13/26/569441326.db2.gz OOXBYAPZHPHJKV-UHFFFAOYSA-N 0 0 432.321 6.377 40 0 IKABRN Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)Nc1cccc(Cl)c1C ZINC000041076842 569526562 /nfs/dbraw/zinc/52/65/62/569526562.db2.gz QGFWMVOOYULZQM-UHFFFAOYSA-N 0 0 435.980 6.086 40 0 IKABRN O=[S@@](Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1Br ZINC000390822572 569533407 /nfs/dbraw/zinc/53/34/07/569533407.db2.gz CYFQONPEXLWMDW-XMMPIXPASA-N 0 0 432.183 5.621 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1Cl ZINC000032126284 569584112 /nfs/dbraw/zinc/58/41/12/569584112.db2.gz AMXAPOMIMHCBHN-UHFFFAOYSA-N 0 0 430.769 5.692 40 0 IKABRN COc1ccc(Oc2cc(C)c(-c3csc(N=C(C)c4ccncc4)n3)c(C)c2)cc1 ZINC000584567158 569582790 /nfs/dbraw/zinc/58/27/90/569582790.db2.gz RIHDNDGYTTXMDR-UHFFFAOYSA-N 0 0 429.545 6.706 40 0 IKABRN CC(C)(C)Nc1nc(Nc2ccc3c(c2)OCO3)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328956980 569582931 /nfs/dbraw/zinc/58/29/31/569582931.db2.gz AHTYRTAXBBRPQD-UHFFFAOYSA-N 0 0 446.429 5.725 40 0 IKABRN CC(C)(C)Nc1nc(Nc2c(F)cccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329004352 569582954 /nfs/dbraw/zinc/58/29/54/569582954.db2.gz KRTZNJUJCUHODV-UHFFFAOYSA-N 0 0 438.400 6.274 40 0 IKABRN CC(C)(C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)n1 ZINC000328966668 569582980 /nfs/dbraw/zinc/58/29/80/569582980.db2.gz CNPHUOQLXCLFJK-UHFFFAOYSA-N 0 0 429.284 6.089 40 0 IKABRN Fc1cc(Br)ccc1Nc1cc(Cl)nc(-c2cccc(C(F)(F)F)c2)n1 ZINC000329068700 569582991 /nfs/dbraw/zinc/58/29/91/569582991.db2.gz YSDFFRARYXHBOJ-UHFFFAOYSA-N 0 0 446.629 6.461 40 0 IKABRN Fc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1 ZINC000328958367 569583002 /nfs/dbraw/zinc/58/30/02/569583002.db2.gz ANBSAHCVLVLCCE-UHFFFAOYSA-N 0 0 446.448 6.670 40 0 IKABRN Cc1c(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)cccc1C(F)(F)F ZINC000328980359 569583198 /nfs/dbraw/zinc/58/31/98/569583198.db2.gz GLLBXQDTTROPLY-HXUWFJFHSA-N 0 0 430.474 5.643 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc2c(cccc2Cl)s1 ZINC000059294553 569583242 /nfs/dbraw/zinc/58/32/42/569583242.db2.gz HTLMFYYAAZRMQO-ZRDIBKRKSA-N 0 0 439.949 5.736 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc(-c2ccccc2)cs1 ZINC000057313930 569583262 /nfs/dbraw/zinc/58/32/62/569583262.db2.gz DCPWMRYSJGIXJE-WYMLVPIESA-N 0 0 431.542 5.597 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)sc2c1 ZINC000032119008 569583606 /nfs/dbraw/zinc/58/36/06/569583606.db2.gz TTXLPTOVSJRQBE-GXDHUFHOSA-N 0 0 437.634 6.289 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cc(Cl)ccc3OC)sc2c1 ZINC000032118611 569583646 /nfs/dbraw/zinc/58/36/46/569583646.db2.gz UUDYCRUJFBQADU-UHFFFAOYSA-N 0 0 433.986 5.428 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)sc2c1 ZINC000032119105 569583657 /nfs/dbraw/zinc/58/36/57/569583657.db2.gz PEYCPATWWBRAGP-XYOKQWHBSA-N 0 0 429.998 5.819 40 0 IKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1 ZINC000328955281 569583980 /nfs/dbraw/zinc/58/39/80/569583980.db2.gz ABGVCJCWCQWGTP-UHFFFAOYSA-N 0 0 428.458 6.449 40 0 IKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000328965681 569584005 /nfs/dbraw/zinc/58/40/05/569584005.db2.gz CFCYOSQIFSWRIB-UHFFFAOYSA-N 0 0 442.485 6.839 40 0 IKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000328970360 569584052 /nfs/dbraw/zinc/58/40/52/569584052.db2.gz DJYDDXKITUSFIA-UHFFFAOYSA-N 0 0 443.473 6.234 40 0 IKABRN Cc1ccc(C)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)c1 ZINC000329033865 569584200 /nfs/dbraw/zinc/58/42/00/569584200.db2.gz QWMXDCMDNJBDPH-UHFFFAOYSA-N 0 0 430.474 6.613 40 0 IKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1 ZINC000329030294 569584250 /nfs/dbraw/zinc/58/42/50/569584250.db2.gz QCOHLACSANAQOE-UHFFFAOYSA-N 0 0 428.458 6.449 40 0 IKABRN Oc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1 ZINC000329043589 569584290 /nfs/dbraw/zinc/58/42/90/569584290.db2.gz SRZZCMGQFUKZOS-UHFFFAOYSA-N 0 0 444.457 6.236 40 0 IKABRN COc1cc2sc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)nc2cc1Cl ZINC000032127110 569584399 /nfs/dbraw/zinc/58/43/99/569584399.db2.gz LDFUGBGDUWFPDM-UHFFFAOYSA-N 0 0 433.986 5.383 40 0 IKABRN Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)(C)C)n1 ZINC000328971636 569584503 /nfs/dbraw/zinc/58/45/03/569584503.db2.gz DQTYCCBHCRXJTD-UHFFFAOYSA-N 0 0 430.474 6.173 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2ccc(F)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329012569 569584747 /nfs/dbraw/zinc/58/47/47/569584747.db2.gz MKMOGGBPGJYUGE-AWEZNQCLSA-N 0 0 434.437 6.444 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329049054 569584761 /nfs/dbraw/zinc/58/47/61/569584761.db2.gz UNEYXQMGQSOQQE-ZDUSSCGKSA-N 0 0 436.865 6.650 40 0 IKABRN COc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)c1 ZINC000329039132 569584768 /nfs/dbraw/zinc/58/47/68/569584768.db2.gz RVWDPFDUZALYMJ-UHFFFAOYSA-N 0 0 432.446 6.005 40 0 IKABRN COc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)(C)C)n1 ZINC000329000680 569584837 /nfs/dbraw/zinc/58/48/37/569584837.db2.gz KBJGMEJVGGTKKZ-UHFFFAOYSA-N 0 0 446.473 5.873 40 0 IKABRN Clc1ccc(NN=c2cc(-c3ccccn3)nc(NC3CCCCC3)[nH]2)c(Cl)c1 ZINC000329013098 569585048 /nfs/dbraw/zinc/58/50/48/569585048.db2.gz MOLKPAQUSIJZGV-UHFFFAOYSA-N 0 0 429.355 6.029 40 0 IKABRN CC1(C)CC[C@]2(C)CC=C3[C@](C)(CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]34C)[C@@H]2C1 ZINC000005699594 574412550 /nfs/dbraw/zinc/41/25/50/574412550.db2.gz GGGUGZHBAOMSFJ-PFGCRWBMSA-N 0 0 426.729 8.169 40 0 endogenous,in-man IKABRN C/C=C/[C@@H]1C(C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)=CC(C)[C@H]2CC[C@H](C)C[C@H]12 ZINC000014515801 291394148 /nfs/dbraw/zinc/39/41/48/291394148.db2.gz BYVVOONSAAQMKI-ILVDVSRFSA-N 0 0 433.548 5.457 40 0 biogenic,in-vitro IKABRN CC(=O)N[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC[C@H]12 ZINC000118913893 291395688 /nfs/dbraw/zinc/39/56/88/291395688.db2.gz ZVBBVQAJSUFYKD-BCJNDUEPSA-N 0 0 429.733 7.612 40 0 biogenic,in-vitro IKABRN CC1=C[C@@H](CNC(=O)Nc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 ZINC000030881850 291400937 /nfs/dbraw/zinc/40/09/37/291400937.db2.gz QPCJUBKLUQTIPX-LSQMVHIFSA-N 0 0 448.611 5.106 40 0 biogenic,in-vitro IKABRN O=C(c1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cc4ccccc4s3)c12 ZINC000004237404 291411259 /nfs/dbraw/zinc/41/12/59/291411259.db2.gz WCYPATKSFBKXIQ-DOTOQJQBSA-N 0 0 432.570 5.051 40 0 biogenic,in-vitro IKABRN O=C(c1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cc4ccccc4s3)c12 ZINC000004237407 291411281 /nfs/dbraw/zinc/41/12/81/291411281.db2.gz XDLKDMVVPRVDPE-QFBILLFUSA-N 0 0 444.531 5.129 40 0 biogenic,in-vitro IKABRN CCc1ccccc1NC(=S)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000006135480 193880705 /nfs/dbraw/zinc/88/07/05/193880705.db2.gz FACVJPMQXXFQGP-UHFFFAOYSA-N 0 0 447.648 6.239 40 0 IKABRN CCOc1ccc(OCC)c(NC(=O)CSc2cc(C)nc3ccc(OC)cc32)c1 ZINC000006089786 193879004 /nfs/dbraw/zinc/87/90/04/193879004.db2.gz GMFKACQROUGIOS-UHFFFAOYSA-N 0 0 426.538 5.080 40 0 IKABRN Cc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc(C)ccc3[nH]c2=O)c(C)c1 ZINC000006195444 193890611 /nfs/dbraw/zinc/89/06/11/193890611.db2.gz LVPDZFZKCDVBLL-UHFFFAOYSA-N 0 0 442.588 5.248 40 0 IKABRN Cc1ccc(NC(=O)N(CC(=O)O[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C2CCCCC2)cc1 ZINC000006212758 193892557 /nfs/dbraw/zinc/89/25/57/193892557.db2.gz FFZPKBOIZNYVTR-GSPPDTAYSA-N 0 0 426.601 5.920 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000006264758 193894927 /nfs/dbraw/zinc/89/49/27/193894927.db2.gz KINRVHRTXCXJSG-UHFFFAOYSA-N 0 0 426.564 6.447 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000223226747 193954604 /nfs/dbraw/zinc/95/46/04/193954604.db2.gz ROSKOAMCRQVFPC-JOCHJYFZSA-N 0 0 426.626 5.199 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000223237013 193956034 /nfs/dbraw/zinc/95/60/34/193956034.db2.gz VKZFGDJGCZXJGE-GOSISDBHSA-N 0 0 435.951 6.409 40 0 IKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1C(C)C ZINC000223323276 193966638 /nfs/dbraw/zinc/96/66/38/193966638.db2.gz CCAGYPBHPLWGPU-AWEZNQCLSA-N 0 0 430.397 5.614 40 0 IKABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000223262424 193958976 /nfs/dbraw/zinc/95/89/76/193958976.db2.gz FWVPPRCJFXSHHF-SANMLTNESA-N 0 0 448.607 5.052 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000223322243 193966787 /nfs/dbraw/zinc/96/67/87/193966787.db2.gz IUUHJCMGVQRGTI-LJQANCHMSA-N 0 0 441.786 5.133 40 0 IKABRN COc1cc(C)c([C@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1C(C)C ZINC000223270126 193960358 /nfs/dbraw/zinc/96/03/58/193960358.db2.gz VWNYAQCRVMNJIW-KXWHUPIZSA-N 0 0 448.006 7.198 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc21 ZINC000223302071 193964401 /nfs/dbraw/zinc/96/44/01/193964401.db2.gz CLFYLNFNUNSYAJ-DEOSSOPVSA-N 0 0 446.591 5.249 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000223314012 193965798 /nfs/dbraw/zinc/96/57/98/193965798.db2.gz WLXHMTARLDNJQJ-YIXXDRMTSA-N 0 0 442.603 5.092 40 0 IKABRN COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccccc1Cl ZINC000408606378 193974991 /nfs/dbraw/zinc/97/49/91/193974991.db2.gz IOBQUXCNVFHXSU-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223340713 193968533 /nfs/dbraw/zinc/96/85/33/193968533.db2.gz OKWLKNDTDPFPLD-GOTSBHOMSA-N 0 0 447.585 5.900 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 ZINC000223344821 193969410 /nfs/dbraw/zinc/96/94/10/193969410.db2.gz XLYTUDYWALMTER-QFIPXVFZSA-N 0 0 445.003 5.221 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223358757 193971003 /nfs/dbraw/zinc/97/10/03/193971003.db2.gz COQQEERTPZUMMC-HXUWFJFHSA-N 0 0 435.395 5.258 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccco1 ZINC000223361409 193971342 /nfs/dbraw/zinc/97/13/42/193971342.db2.gz GHCQNKGNBOXQNI-FGZHOGPDSA-N 0 0 435.936 5.761 40 0 IKABRN CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223360505 193971452 /nfs/dbraw/zinc/97/14/52/193971452.db2.gz HZDRTJPGBLUBCL-SANMLTNESA-N 0 0 448.994 5.425 40 0 IKABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000408615291 193981462 /nfs/dbraw/zinc/98/14/62/193981462.db2.gz OKKHYNYCIAKNMM-UHFFFAOYSA-N 0 0 430.548 5.565 40 0 IKABRN Cc1cc2c(cc1C)N(C(=O)CSc1ncn(C)n1)C(C)(C)c1ssc(=S)c1-2 ZINC000009059423 132226611 /nfs/dbraw/zinc/22/66/11/132226611.db2.gz IBRPBQTVRYEMGI-UHFFFAOYSA-N 0 0 448.664 5.325 40 0 IKABRN COc1cc(Br)cc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)c(Cl)c1 ZINC000009849140 132241677 /nfs/dbraw/zinc/24/16/77/132241677.db2.gz HSHUEUUUGTWZJD-KXBFYZLASA-N 0 0 437.721 5.189 40 0 IKABRN O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000001635189 132246188 /nfs/dbraw/zinc/24/61/88/132246188.db2.gz ODFWILWVXGXJRJ-UHFFFAOYSA-N 0 0 435.980 5.094 40 0 IKABRN Cc1ccc(N2C(=O)c3cccc4c(NCc5ccccc5)ccc(c43)C2=O)cc1Cl ZINC000003021103 132260610 /nfs/dbraw/zinc/26/06/10/132260610.db2.gz HCKIBDXUPVNSHG-UHFFFAOYSA-N 0 0 426.903 6.214 40 0 IKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000008832673 132295740 /nfs/dbraw/zinc/29/57/40/132295740.db2.gz QUEMSABDRCILCY-CQSZACIVSA-N 0 0 441.786 6.289 40 0 IKABRN Cc1sc2ncnc(S[C@@H](C)C(=O)N3c4ccccc4Sc4ccccc43)c2c1C ZINC000012833711 132340862 /nfs/dbraw/zinc/34/08/62/132340862.db2.gz WHBLZTLLGHPYCP-HNNXBMFYSA-N 0 0 449.626 6.618 40 0 aggregator IKABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013686816 132353495 /nfs/dbraw/zinc/35/34/95/132353495.db2.gz RWLDHPGBLUJXBR-QGZVFWFLSA-N 0 0 445.544 5.430 40 0 IKABRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000013717257 132354049 /nfs/dbraw/zinc/35/40/49/132354049.db2.gz SWVJAQKQEGSXDM-UHFFFAOYSA-N 0 0 443.572 6.538 40 0 IKABRN O=C(NCCSCc1ccccc1Cl)N1c2ccccc2Sc2ccccc21 ZINC000013717104 132354053 /nfs/dbraw/zinc/35/40/53/132354053.db2.gz ZINOCHPPFOULJQ-UHFFFAOYSA-N 0 0 426.994 6.586 40 0 IKABRN O=C(Nc1ccc(I)cc1)N1c2ccccc2Sc2ccccc21 ZINC000013717084 132354059 /nfs/dbraw/zinc/35/40/59/132354059.db2.gz NLZOINMICWKCHS-UHFFFAOYSA-N 0 0 444.297 6.126 40 0 IKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)N1c2ccccc2Sc2ccccc21 ZINC000013717142 132354063 /nfs/dbraw/zinc/35/40/63/132354063.db2.gz LHRINGDHRSTTMD-UHFFFAOYSA-N 0 0 440.593 7.814 40 0 IKABRN O=C(NCCSCc1c(F)cccc1Cl)N1c2ccccc2Sc2ccccc21 ZINC000013717169 132354073 /nfs/dbraw/zinc/35/40/73/132354073.db2.gz CSNKJCQXIBBGPE-UHFFFAOYSA-N 0 0 444.984 6.725 40 0 IKABRN O=C(Nc1ccc(Br)c(Cl)c1)N1c2ccccc2Sc2ccccc21 ZINC000013717221 132354082 /nfs/dbraw/zinc/35/40/82/132354082.db2.gz JFSCIGKDBCWIMA-UHFFFAOYSA-N 0 0 431.742 6.937 40 0 IKABRN Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)Nc3ccc(Cl)cc3)c2=S)c1 ZINC000016769367 518190136 /nfs/dbraw/zinc/19/01/36/518190136.db2.gz VKSSFHOIOAJBRJ-UHFFFAOYSA-N 0 0 434.952 5.671 40 0 IKABRN Brc1ccc(C2=Nc3c4ccccc4ccc3C(c3ccncc3)=NN2)cc1 ZINC000012486076 518209833 /nfs/dbraw/zinc/20/98/33/518209833.db2.gz GKLYIQRUYUAGPP-UHFFFAOYSA-N 0 0 427.305 5.431 40 0 IKABRN CC(=O)c1ccc(NC(=O)c2ccccc2C(=O)OCC(Cl)=C(Cl)Cl)cc1 ZINC000001085108 518381155 /nfs/dbraw/zinc/38/11/55/518381155.db2.gz SIGUUGIEUPVDEA-UHFFFAOYSA-N 0 0 426.683 5.184 40 0 IKABRN CC(C)(C)C(=O)N1CCC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000012219824 518563926 /nfs/dbraw/zinc/56/39/26/518563926.db2.gz LXZDXQKICGMAMX-ZDUSSCGKSA-N 0 0 436.503 5.229 40 0 IKABRN CC(C)(C)C(=O)N1CCC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)C1 ZINC000012183504 518564711 /nfs/dbraw/zinc/56/47/11/518564711.db2.gz TUOKQHQQFXDVEX-JLJPHGGASA-N 0 0 440.535 5.357 40 0 IKABRN CC(C)(C)C(=O)N1CCC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)C1 ZINC000012183501 518564799 /nfs/dbraw/zinc/56/47/99/518564799.db2.gz TUOKQHQQFXDVEX-UKPHBRMFSA-N 0 0 440.535 5.357 40 0 IKABRN CC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1Cl)C(=O)C(C)(C)O2 ZINC000012875244 518751508 /nfs/dbraw/zinc/75/15/08/518751508.db2.gz YRAGRSWHQCMTKY-UHFFFAOYSA-N 0 0 435.351 5.226 40 0 IKABRN CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)C1 ZINC000012364945 518936073 /nfs/dbraw/zinc/93/60/73/518936073.db2.gz KWLHNLSVNFCTMO-HUJREVKFSA-N 0 0 425.956 5.106 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000032125309 519020777 /nfs/dbraw/zinc/02/07/77/519020777.db2.gz OFSTZBGWUOLOOI-UHFFFAOYSA-N 0 0 441.575 5.199 40 0 IKABRN CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017969447 519051730 /nfs/dbraw/zinc/05/17/30/519051730.db2.gz IUTLYTNICBKNHE-DSITVLBTSA-N 0 0 440.543 5.031 40 0 IKABRN CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000019084747 519107640 /nfs/dbraw/zinc/10/76/40/519107640.db2.gz XVKCYQJDJXYHGA-UHFFFAOYSA-N 0 0 434.971 5.509 40 0 IKABRN CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000019084739 519108566 /nfs/dbraw/zinc/10/85/66/519108566.db2.gz BQTGVAUPYILJOM-UHFFFAOYSA-N 0 0 434.971 5.509 40 0 IKABRN CC(C)C[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020482267 519245679 /nfs/dbraw/zinc/24/56/79/519245679.db2.gz DZDWJNVEAZRVEJ-HSZRJFAPSA-N 0 0 436.577 5.029 40 0 IKABRN CC(C)C[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020482269 519392410 /nfs/dbraw/zinc/39/24/10/519392410.db2.gz DZDWJNVEAZRVEJ-QHCPKHFHSA-N 0 0 436.577 5.029 40 0 IKABRN CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)[C@@H](C)c4ccccc4)n3)ccc21 ZINC000012220026 519468672 /nfs/dbraw/zinc/46/86/72/519468672.db2.gz INUGOLXYNDTTCP-SFHVURJKSA-N 0 0 447.604 5.512 40 0 IKABRN CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)c4cccs4)n3)ccc21 ZINC000012220046 519471466 /nfs/dbraw/zinc/47/14/66/519471466.db2.gz JWXRTVVMSASKAK-UHFFFAOYSA-N 0 0 425.579 5.083 40 0 IKABRN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000020468337 519523899 /nfs/dbraw/zinc/52/38/99/519523899.db2.gz QVOFEELWYOFHQN-FYWRMAATSA-N 0 0 433.533 5.068 40 0 IKABRN CC(=O)Nc1ccc(C(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1 ZINC000012878805 519709560 /nfs/dbraw/zinc/70/95/60/519709560.db2.gz MOVMNNYNUOQXCE-UHFFFAOYSA-N 0 0 442.953 5.045 40 0 IKABRN CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)cc1 ZINC000012881887 519722920 /nfs/dbraw/zinc/72/29/20/519722920.db2.gz BMHHZJNJBNLISW-UHFFFAOYSA-N 0 0 439.968 5.456 40 0 IKABRN CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc(Cl)cc1Cl ZINC000015319452 519750117 /nfs/dbraw/zinc/75/01/17/519750117.db2.gz ZAAJAYHCQRYBPD-UHFFFAOYSA-N 0 0 438.314 6.141 40 0 IKABRN CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl ZINC000022059330 519751867 /nfs/dbraw/zinc/75/18/67/519751867.db2.gz FKLQIONHGSFYJY-UHFFFAOYSA-N 0 0 443.622 5.226 40 0 in-vitro IKABRN CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@H](OC(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000012655837 519758305 /nfs/dbraw/zinc/75/83/05/519758305.db2.gz NZDFRHCQINXFLI-WBLKXBLGSA-N 0 0 428.613 5.800 40 0 IKABRN CC(C)Oc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020461103 519783305 /nfs/dbraw/zinc/78/33/05/519783305.db2.gz FORTZTVUOARPNM-UHFFFAOYSA-N 0 0 444.940 5.180 40 0 IKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 ZINC000020610488 519834170 /nfs/dbraw/zinc/83/41/70/519834170.db2.gz CBJAZYRMXQWHMN-UHFFFAOYSA-N 0 0 425.319 6.103 40 0 IKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3n2)cc1 ZINC000020610479 519834193 /nfs/dbraw/zinc/83/41/93/519834193.db2.gz CWNSRLHPYKNCLM-UHFFFAOYSA-N 0 0 435.325 5.559 40 0 IKABRN 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CCCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 ZINC000035289003 521633044 /nfs/dbraw/zinc/63/30/44/521633044.db2.gz GWYWGXSDCDRPBG-UHFFFAOYSA-N 0 0 429.549 5.207 40 0 IKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020610645 521774333 /nfs/dbraw/zinc/77/43/33/521774333.db2.gz CLXFGSBKJHEUFT-SFHVURJKSA-N 0 0 428.536 5.974 40 0 IKABRN CCSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000022520503 521777990 /nfs/dbraw/zinc/77/79/90/521777990.db2.gz LVCBQBYAQJOTMV-UHFFFAOYSA-N 0 0 426.563 5.160 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000022519856 521778890 /nfs/dbraw/zinc/77/88/90/521778890.db2.gz VXBIYRYNQDWPLL-UHFFFAOYSA-N 0 0 440.590 5.469 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)c(C)c4)c3)nc2c1 ZINC000016610708 522043793 /nfs/dbraw/zinc/04/37/93/522043793.db2.gz GWIITDJOPKEIAB-INIZCTEOSA-N 0 0 448.950 6.988 40 0 IKABRN CC[C@@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022255685 522103378 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447.579 5.198 40 0 IKABRN COc1ccc(CN(Cc2cc3cccc(C)c3nc2Cl)C(=O)c2cccc(C)c2)cc1 ZINC000012482414 524014269 /nfs/dbraw/zinc/01/42/69/524014269.db2.gz YPQOIISETAAYMR-UHFFFAOYSA-N 0 0 444.962 6.356 40 0 IKABRN COc1ccc(CN(Cc2cc3cccc(C)c3nc2Cl)C(=O)c2ccc(F)cc2)cc1 ZINC000012482430 524014952 /nfs/dbraw/zinc/01/49/52/524014952.db2.gz RPUPGXIUKYJHBM-UHFFFAOYSA-N 0 0 448.925 6.187 40 0 IKABRN COc1ccc(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c(OC)c1OC ZINC000012185712 524025691 /nfs/dbraw/zinc/02/56/91/524025691.db2.gz WSGWUZVUVXPTAE-OAQYLSRUSA-N 0 0 440.515 5.624 40 0 IKABRN CCc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020969911 524034038 /nfs/dbraw/zinc/03/40/38/524034038.db2.gz WFQDBYGMEAJOFS-XMMPIXPASA-N 0 0 426.495 5.665 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020495381 524069251 /nfs/dbraw/zinc/06/92/51/524069251.db2.gz FXHLOBBEXMNFRQ-UHFFFAOYSA-N 0 0 442.968 5.518 40 0 IKABRN COc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000022076761 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ZINC000012185273 524266240 /nfs/dbraw/zinc/26/62/40/524266240.db2.gz KNZJNPHTZXERJK-LJQANCHMSA-N 0 0 449.532 5.824 40 0 IKABRN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000016773959 524294577 /nfs/dbraw/zinc/29/45/77/524294577.db2.gz HFKCIVAIOTWEEA-IBGZPJMESA-N 0 0 443.576 5.125 40 0 IKABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 ZINC000012478321 524339105 /nfs/dbraw/zinc/33/91/05/524339105.db2.gz SGCGCKJPYAASIK-VWLOTQADSA-N 0 0 446.547 5.434 40 0 IKABRN Cc1cc(C)c2cc(CN(Cc3ccccc3Cl)C(=O)c3cccc(F)c3)c(=O)[nH]c2c1 ZINC000012644367 524349715 /nfs/dbraw/zinc/34/97/15/524349715.db2.gz LCJGETMOJRJJIO-UHFFFAOYSA-N 0 0 448.925 5.780 40 0 IKABRN Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020489885 524382098 /nfs/dbraw/zinc/38/20/98/524382098.db2.gz KPKPHARINGGLFC-UHFFFAOYSA-N 0 0 442.968 5.030 40 0 IKABRN Cc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000012711231 524418071 /nfs/dbraw/zinc/41/80/71/524418071.db2.gz JHKLOHHVYBOEHV-UHFFFAOYSA-N 0 0 445.950 6.033 40 0 IKABRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2Cc2ccccc2)c1 ZINC000012496630 524420861 /nfs/dbraw/zinc/42/08/61/524420861.db2.gz CNSZMJGEOJPXKH-UHFFFAOYSA-N 0 0 444.560 5.047 40 0 IKABRN Cc1cc(C)cc(NC(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1 ZINC000012878219 524426002 /nfs/dbraw/zinc/42/60/02/524426002.db2.gz CWKIOKIAYIVGHM-UHFFFAOYSA-N 0 0 426.973 5.434 40 0 IKABRN Cc1cc(C)cc(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1 ZINC000012878403 524437018 /nfs/dbraw/zinc/43/70/18/524437018.db2.gz PLYBPVPNZRDINW-UHFFFAOYSA-N 0 0 443.041 5.599 40 0 IKABRN COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1ccccc1C ZINC000012644158 524442109 /nfs/dbraw/zinc/44/21/09/524442109.db2.gz GETIHJXUYDPDQS-UHFFFAOYSA-N 0 0 440.543 5.305 40 0 IKABRN Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccc(Cl)c2)C4)c1 ZINC000020796203 524463942 /nfs/dbraw/zinc/46/39/42/524463942.db2.gz HBJIULQCYHHYIJ-QGZVFWFLSA-N 0 0 434.952 5.291 40 0 IKABRN 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/nfs/dbraw/zinc/60/00/75/524600075.db2.gz SOVZTTDZJMQBDP-UHFFFAOYSA-N 0 0 436.581 5.114 40 0 IKABRN COc1ccccc1NC(=S)N(CCc1nc2ccccc2[nH]1)Cc1ccc(C)cc1 ZINC000035314018 524631603 /nfs/dbraw/zinc/63/16/03/524631603.db2.gz VUPRIDWPFCSEPZ-UHFFFAOYSA-N 0 0 430.577 5.322 40 0 IKABRN Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(C(C)C)cc2)C4)cc1 ZINC000020671802 524649526 /nfs/dbraw/zinc/64/95/26/524649526.db2.gz SOYBCWOAEIYZEO-OAQYLSRUSA-N 0 0 442.588 5.761 40 0 IKABRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000020455793 524771428 /nfs/dbraw/zinc/77/14/28/524771428.db2.gz DHTIXOKNZOPCNA-QHCPKHFHSA-N 0 0 428.576 5.005 40 0 IKABRN C[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C(=O)Nc1cccc2ccccc21 ZINC000016609586 524832519 /nfs/dbraw/zinc/83/25/19/524832519.db2.gz VATSMXRAUCMQGX-LJQANCHMSA-N 0 0 438.531 5.763 40 0 IKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000041091590 524873564 /nfs/dbraw/zinc/87/35/64/524873564.db2.gz QASHDUVQKQRAPT-UHFFFAOYSA-N 0 0 443.330 5.501 40 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Cc1ccccc1-c1sc(=S)n2c1n(Cc1ccc(F)cc1)c(=O)c1ccccc12 ZINC000020378744 525023146 /nfs/dbraw/zinc/02/31/46/525023146.db2.gz JOEAWDNYSWYVQQ-UHFFFAOYSA-N 0 0 432.545 6.208 40 0 IKABRN Cc1ccccc1CC(=O)N1CC[C@@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000012160778 525096644 /nfs/dbraw/zinc/09/66/44/525096644.db2.gz WCKFLZIELMIGRP-RLLQIKCJSA-N 0 0 448.533 5.084 40 0 IKABRN COc1ccc(S[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000020036843 525107956 /nfs/dbraw/zinc/10/79/56/525107956.db2.gz NFMXJLHPYSQJKM-ZDUSSCGKSA-N 0 0 430.422 5.532 40 0 IKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000020451018 525110126 /nfs/dbraw/zinc/11/01/26/525110126.db2.gz SZUSTHQRWKNIOS-MSOLQXFVSA-N 0 0 434.561 5.306 40 0 IKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1OC ZINC000020456619 525111347 /nfs/dbraw/zinc/11/13/47/525111347.db2.gz BBECYMVNTBRLNR-QGZVFWFLSA-N 0 0 439.602 6.115 40 0 IKABRN Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 ZINC000020671781 525187823 /nfs/dbraw/zinc/18/78/23/525187823.db2.gz QJLPEUWBDVDUMI-NRFANRHFSA-N 0 0 442.588 5.761 40 0 IKABRN Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(Cl)c1)C3 ZINC000020796306 525187970 /nfs/dbraw/zinc/18/79/70/525187970.db2.gz KJNUOLWDMDGSNX-QGZVFWFLSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 ZINC000020970465 525230268 /nfs/dbraw/zinc/23/02/68/525230268.db2.gz QIRUCPRFVIIHRE-QHCPKHFHSA-N 0 0 428.923 5.926 40 0 IKABRN Cc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1Cl ZINC000035290469 525243229 /nfs/dbraw/zinc/24/32/29/525243229.db2.gz ZAQUETRJYVSSOD-UHFFFAOYSA-N 0 0 435.940 5.022 40 0 IKABRN Cc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)c(C)c1 ZINC000035291235 525265442 /nfs/dbraw/zinc/26/54/42/525265442.db2.gz HFTXXKHGWXBVBK-UHFFFAOYSA-N 0 0 432.568 5.761 40 0 IKABRN Cc1ccccc1N[C@@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000017379500 525273608 /nfs/dbraw/zinc/27/36/08/525273608.db2.gz OYHXPMDLQJEAAI-AREMUKBSSA-N 0 0 429.456 7.457 40 0 IKABRN Cc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1C ZINC000035533872 525282991 /nfs/dbraw/zinc/28/29/91/525282991.db2.gz NGIMWROWZSSUJA-UHFFFAOYSA-N 0 0 434.971 5.894 40 0 IKABRN COc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1OC ZINC000012371246 525286001 /nfs/dbraw/zinc/28/60/01/525286001.db2.gz JNOOFDPCFXLRJZ-XPWALMASSA-N 0 0 445.317 6.066 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc(C)c1Cl ZINC000020610674 525365037 /nfs/dbraw/zinc/36/50/37/525365037.db2.gz HIPDSWLSAGNVSK-UHFFFAOYSA-N 0 0 448.954 5.832 40 0 IKABRN Cc1ccccc1[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000020491011 525368753 /nfs/dbraw/zinc/36/87/53/525368753.db2.gz SQAGUBQWQPVXJX-QFIPXVFZSA-N 0 0 444.756 5.696 40 0 IKABRN Cc1ccc(OCCCOc2cc(C)ccc2C)c(/C=C2/N=C(c3cccs3)OC2=O)c1 ZINC000041082745 525413856 /nfs/dbraw/zinc/41/38/56/525413856.db2.gz CDNWIRHUENUICO-LTGZKZEYSA-N 0 0 447.556 5.866 40 0 IKABRN Cc1ccccc1[C@H]1C(C(=O)Nc2ccc(Cl)cc2)=C(C)Nc2nc3ccccc3n21 ZINC000020797490 525433550 /nfs/dbraw/zinc/43/35/50/525433550.db2.gz WFZXFACMJLWOCJ-QHCPKHFHSA-N 0 0 428.923 5.926 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCCC3)cc2Cl)cc1 ZINC000020455860 525597659 /nfs/dbraw/zinc/59/76/59/525597659.db2.gz LUIRBKRAAAPNOD-UHFFFAOYSA-N 0 0 434.989 5.292 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2Cl)cc1 ZINC000020456190 525599411 /nfs/dbraw/zinc/59/94/11/525599411.db2.gz HZUJXUSKKHLYKA-OAHLLOKOSA-N 0 0 446.931 5.079 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2Cl)cc1 ZINC000020459357 525603266 /nfs/dbraw/zinc/60/32/66/525603266.db2.gz VAEMWOKAVQSSGL-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000020492439 525603360 /nfs/dbraw/zinc/60/33/60/525603360.db2.gz XZYCYBRXROAUFS-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 ZINC000022520658 525603406 /nfs/dbraw/zinc/60/34/06/525603406.db2.gz ANCIGUXEZRXUPI-UHFFFAOYSA-N 0 0 442.968 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/nfs/dbraw/zinc/67/78/80/525677880.db2.gz NERHVWFALWJVGT-VWLOTQADSA-N 0 0 448.538 5.560 40 0 IKABRN Cc1ccc([C@@H](C(=O)NCc2cccs2)N(C(=O)c2cccs2)C2CCCC2)cc1 ZINC000012635796 525680719 /nfs/dbraw/zinc/68/07/19/525680719.db2.gz JJWDKONGVOKRAL-QFIPXVFZSA-N 0 0 438.618 5.561 40 0 IKABRN Cc1cc2sc(NC(=O)c3ccc(I)cc3)nc2cc1Cl ZINC000016284220 525700990 /nfs/dbraw/zinc/70/09/90/525700990.db2.gz WUHWODLMKPDCDZ-UHFFFAOYSA-N 0 0 428.682 5.115 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc21 ZINC000012372466 525765276 /nfs/dbraw/zinc/76/52/76/525765276.db2.gz DYLMBDSANBABTA-UHFFFAOYSA-N 0 0 437.927 6.129 40 0 IKABRN Cc1ccc(-c2csc3nnc(SCC(=O)Nc4ccc(N5CCCC5)cc4)n23)cc1 ZINC000012878638 525786955 /nfs/dbraw/zinc/78/69/55/525786955.db2.gz NVBWIUJMBJNTMF-UHFFFAOYSA-N 0 0 449.605 5.097 40 0 IKABRN Cc1ccc(-c2nnc(CSc3nc(C4CC4)nc4sc5c(c43)CCCC5)o2)cc1 ZINC000012636084 525845566 /nfs/dbraw/zinc/84/55/66/525845566.db2.gz RLIIIJCBAGSGOV-UHFFFAOYSA-N 0 0 434.590 6.098 40 0 IKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CC2)cc1 ZINC000012475053 525873464 /nfs/dbraw/zinc/87/34/64/525873464.db2.gz JBCHNYLHGSUKCU-HHHXNRCGSA-N 0 0 443.591 5.200 40 0 IKABRN Cc1ccc(-c2noc(CN(CC(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 ZINC000022256939 525877237 /nfs/dbraw/zinc/87/72/37/525877237.db2.gz OOGTWMKXKBUKTC-UHFFFAOYSA-N 0 0 427.570 5.015 40 0 IKABRN Cc1ccc(-c2noc(CN(C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)C(C)(C)C)n2)cc1 ZINC000022255770 525878371 /nfs/dbraw/zinc/87/83/71/525878371.db2.gz DUSFVEOVGIYXCQ-JOCHJYFZSA-N 0 0 446.595 5.397 40 0 IKABRN Cc1ccc(-c2sc(=S)n3c2n(Cc2cccc(C)c2)c(=O)c2ccccc23)cc1 ZINC000020378582 525889773 /nfs/dbraw/zinc/88/97/73/525889773.db2.gz VIEKOFKNZQQWGR-UHFFFAOYSA-N 0 0 428.582 6.377 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000022529191 525912287 /nfs/dbraw/zinc/91/22/87/525912287.db2.gz LBHFKJGABQGOPS-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022533969 525930288 /nfs/dbraw/zinc/93/02/88/525930288.db2.gz GCFKZSYLXSDEPJ-QGZVFWFLSA-N 0 0 434.511 5.782 40 0 IKABRN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020609994 525930788 /nfs/dbraw/zinc/93/07/88/525930788.db2.gz YKUHGUCMVCHIIZ-UHFFFAOYSA-N 0 0 427.291 5.053 40 0 IKABRN C[C@H](C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1ccccc1 ZINC000012220846 525947395 /nfs/dbraw/zinc/94/73/95/525947395.db2.gz NAFDHZYJHNYRHK-KRWDZBQOSA-N 0 0 445.588 5.266 40 0 IKABRN Cc1ccc([C@H](NC(=O)COc2ccc(Cl)cc2Br)c2ccccc2)cc1 ZINC000020481818 525966706 /nfs/dbraw/zinc/96/67/06/525966706.db2.gz QKUABDZECDRJGQ-JOCHJYFZSA-N 0 0 444.756 5.696 40 0 IKABRN C[C@H](Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C)C(=O)N(c1ccccc1)c1ccccc1 ZINC000012488025 526014650 /nfs/dbraw/zinc/01/46/50/526014650.db2.gz UTSDCHSVMLISRD-PMZDYUJOSA-N 0 0 444.604 5.892 40 0 IKABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)Cc3ccccc3F)cc2)on1 ZINC000012159087 526043496 /nfs/dbraw/zinc/04/34/96/526043496.db2.gz XDMCCWIPILSPHO-UHFFFAOYSA-N 0 0 444.510 5.228 40 0 IKABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3ccccc3F)cc2)on1 ZINC000012159058 526044321 /nfs/dbraw/zinc/04/43/21/526044321.db2.gz SUCITCRSBOQQCU-UHFFFAOYSA-N 0 0 430.483 5.300 40 0 IKABRN CSc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797325 526062227 /nfs/dbraw/zinc/06/22/27/526062227.db2.gz QUCHDSBCAXHAJE-XMMPIXPASA-N 0 0 440.572 5.994 40 0 IKABRN Cc1ccc(C(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C3CC3)cs2)cc1 ZINC000012237223 526069241 /nfs/dbraw/zinc/06/92/41/526069241.db2.gz OQKMBLHRJRKVOI-UHFFFAOYSA-N 0 0 431.561 5.084 40 0 IKABRN Cc1ccc(C(C)C)c(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000035146483 526247930 /nfs/dbraw/zinc/24/79/30/526247930.db2.gz SHRMSEZDZWRPOD-HXUWFJFHSA-N 0 0 433.596 5.662 40 0 IKABRN Cc1ccc(C(C)C)c(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000035146484 526248347 /nfs/dbraw/zinc/24/83/47/526248347.db2.gz SHRMSEZDZWRPOD-FQEVSTJZSA-N 0 0 433.596 5.662 40 0 IKABRN 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Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000022237760 526953128 /nfs/dbraw/zinc/95/31/28/526953128.db2.gz CHRAFRUAWURERK-UHFFFAOYSA-N 0 0 425.863 6.144 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000016429710 526955889 /nfs/dbraw/zinc/95/58/89/526955889.db2.gz LTPCPTHVDUIIRJ-UHFFFAOYSA-N 0 0 431.250 5.958 40 0 IKABRN Clc1cccc(-n2nc3c(c2-c2cccc(Br)c2)-c2ccccc2CC3)c1 ZINC000016524040 526973234 /nfs/dbraw/zinc/97/32/34/526973234.db2.gz IBWYWIJEDCGQJD-UHFFFAOYSA-N 0 0 435.752 6.721 40 0 IKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000022245883 527003134 /nfs/dbraw/zinc/00/31/34/527003134.db2.gz WAEVFIIWPUZPON-UHFFFAOYSA-N 0 0 433.508 6.166 40 0 IKABRN O=C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000016477642 527011704 /nfs/dbraw/zinc/01/17/04/527011704.db2.gz NHPWWVAVKREDIS-UHFFFAOYSA-N 0 0 428.984 7.248 40 0 IKABRN Cn1c(SC/C=C/c2ccccc2)nnc1-c1sc2cc(Cl)ccc2c1Cl ZINC000002668684 527079693 /nfs/dbraw/zinc/07/96/93/527079693.db2.gz AEIYYXUUVOXKGB-VMPITWQZSA-N 0 0 432.401 6.809 40 0 IKABRN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000020509818 527092597 /nfs/dbraw/zinc/09/25/97/527092597.db2.gz KCDWHLCOMIFVEY-KGENOOAVSA-N 0 0 434.289 5.373 40 0 IKABRN O=C1OC(c2ccccc2)=N/C1=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000015305871 527092715 /nfs/dbraw/zinc/09/27/15/527092715.db2.gz WQKUMKXXVLAECV-XSFVSMFZSA-N 0 0 434.289 5.373 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235604 527102767 /nfs/dbraw/zinc/10/27/67/527102767.db2.gz VLNHPIULHGQNCN-UHFFFAOYSA-N 0 0 440.343 5.238 40 0 IKABRN O=C1S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1Cc1c(F)cccc1Cl ZINC000016383687 527103091 /nfs/dbraw/zinc/10/30/91/527103091.db2.gz DKEAWPSUKJXPCL-ODLFYWEKSA-N 0 0 428.872 5.212 40 0 IKABRN O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000022072342 527156982 /nfs/dbraw/zinc/15/69/82/527156982.db2.gz FRCNUZJKHHUPJS-UHFFFAOYSA-N 0 0 437.124 6.147 40 0 IKABRN O=C(Nc1ccc(Br)cc1F)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258500 527159312 /nfs/dbraw/zinc/15/93/12/527159312.db2.gz OJADQAKYWHNUPC-UHFFFAOYSA-N 0 0 434.692 6.073 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000022053632 527164115 /nfs/dbraw/zinc/16/41/15/527164115.db2.gz AGZZKNWDQAQINF-UHFFFAOYSA-N 0 0 441.331 5.995 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1cccc(Br)c1 ZINC000022053609 527164233 /nfs/dbraw/zinc/16/42/33/527164233.db2.gz CVCYORFBXCGZBW-UHFFFAOYSA-N 0 0 436.231 5.859 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccc(Br)cc1 ZINC000022053585 527164741 /nfs/dbraw/zinc/16/47/41/527164741.db2.gz RIIXMHAAFDPRST-UHFFFAOYSA-N 0 0 436.231 5.859 40 0 IKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258005 527173938 /nfs/dbraw/zinc/17/39/38/527173938.db2.gz LXKZKGMYNVRJBA-UHFFFAOYSA-N 0 0 440.248 6.844 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000035377098 527174247 /nfs/dbraw/zinc/17/42/47/527174247.db2.gz SOCBNNHEIHDKAT-UHFFFAOYSA-N 0 0 447.771 5.074 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ZINC000001669393 555708891 /nfs/dbraw/zinc/70/88/91/555708891.db2.gz HTURIBWDXCVLSM-UHFFFAOYSA-N 0 0 426.472 5.308 40 0 IKABRN CCN(CC)c1cc(C)c2cc(Cc3ccc4nc(N(CC)CC)cc(C)c4c3)ccc2n1 ZINC000001701490 555709819 /nfs/dbraw/zinc/70/98/19/555709819.db2.gz YXBHFGNXAAKVAP-UHFFFAOYSA-N 0 0 440.635 6.683 40 0 IKABRN C[C@]1(Br)C2c3ccccc3C(c3ccccc32)[C@@]1(C)C(Cl)(Cl)Cl ZINC000001711918 555710591 /nfs/dbraw/zinc/71/05/91/555710591.db2.gz JNUYLKYUSXCNOV-HIEASXQVSA-N 0 0 430.600 6.808 40 0 IKABRN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1c(Cl)cc(Cl)cc1Cl ZINC000001732169 555711181 /nfs/dbraw/zinc/71/11/81/555711181.db2.gz JQCLHEPBRRRFKB-UHFFFAOYSA-N 0 0 433.933 6.625 40 0 IKABRN O=C1c2ccccc2C(=O)N1c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000001742651 555711783 /nfs/dbraw/zinc/71/17/83/555711783.db2.gz WYIHLOQACRFYNG-UHFFFAOYSA-N 0 0 435.479 5.645 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1ccc(Cl)cc1Br ZINC000001754101 555712371 /nfs/dbraw/zinc/71/23/71/555712371.db2.gz QYVQLRVKTBUZCX-UHFFFAOYSA-N 0 0 429.019 6.386 40 0 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429.545 5.855 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4Cl)c3)nc2c1 ZINC000001864300 555721608 /nfs/dbraw/zinc/72/16/08/555721608.db2.gz AOYJGIFIPIBUMK-CYBMUJFWSA-N 0 0 440.330 6.962 40 0 IKABRN CCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N)cc3)cc2)cc1 ZINC000001866156 555721945 /nfs/dbraw/zinc/72/19/45/555721945.db2.gz MXRRYJULORAXHI-UHFFFAOYSA-N 0 0 433.504 5.666 40 0 IKABRN Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl ZINC000002521601 555785621 /nfs/dbraw/zinc/78/56/21/555785621.db2.gz HHXNVASVVVNNDG-UHFFFAOYSA-N 0 0 429.772 8.581 40 0 IKABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000035103506 555772114 /nfs/dbraw/zinc/77/21/14/555772114.db2.gz RAZUSBPSZHRZOT-GEYIUBJWSA-N 0 0 445.968 6.071 40 0 IKABRN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccc2ccccc2c1 ZINC000002368538 555773025 /nfs/dbraw/zinc/77/30/25/555773025.db2.gz RANBFRJLKUUUHD-UHFFFAOYSA-N 0 0 426.501 5.110 40 0 IKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000035104633 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CCCC(=O)NC(=S)Nc1cc(-c2nc3cc([C@H](C)CC)ccc3o2)ccc1Cl ZINC000002594744 555789556 /nfs/dbraw/zinc/78/95/56/555789556.db2.gz SPYOLSJEEZDIMQ-CYBMUJFWSA-N 0 0 429.973 6.275 40 0 IKABRN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)ccc4C)c3N2)cc1 ZINC000003012764 555879658 /nfs/dbraw/zinc/87/96/58/555879658.db2.gz HUGDTICCNXCSBI-PMACEKPBSA-N 0 0 428.458 5.721 40 0 IKABRN CCOc1cc(C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552841 555881208 /nfs/dbraw/zinc/88/12/08/555881208.db2.gz KOJCLZRPMFHTMS-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN CCCCCCC(C(=O)Nc1cccc2ccccc21)C(=O)Nc1cccc2ccccc21 ZINC000003033010 555882043 /nfs/dbraw/zinc/88/20/43/555882043.db2.gz HUOQEVZOTWXZIY-UHFFFAOYSA-N 0 0 438.571 7.157 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C(=O)NC1CCCCC1 ZINC000408553442 555882712 /nfs/dbraw/zinc/88/27/12/555882712.db2.gz WJFPKZABQPHPEF-UHFFFAOYSA-N 0 0 428.598 5.290 40 0 IKABRN O=C(COc1cccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)c1)Nc1ccccc1 ZINC000408555048 555885804 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O=C1CS[C@@H](c2ccc(OCc3cccc(Cl)c3)cc2)N1c1ccc(Cl)cc1 ZINC000408560406 555901173 /nfs/dbraw/zinc/90/11/73/555901173.db2.gz ZDIYCGCGJOJPDU-QFIPXVFZSA-N 0 0 430.356 6.351 40 0 IKABRN O=C1CS[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)N1c1ccc(Cl)cc1 ZINC000408560403 555901178 /nfs/dbraw/zinc/90/11/78/555901178.db2.gz ZDIYCGCGJOJPDU-JOCHJYFZSA-N 0 0 430.356 6.351 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(F)cc1 ZINC000408560900 555902322 /nfs/dbraw/zinc/90/23/22/555902322.db2.gz FMSUOKVMLUPFHC-FLFQWRMESA-N 0 0 447.373 5.832 40 0 IKABRN COC(=O)c1cc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc(C(=O)OC)c1 ZINC000408563125 555907087 /nfs/dbraw/zinc/90/70/87/555907087.db2.gz JDQPDFYNOYFSCT-RCCKNPSSSA-N 0 0 449.890 5.093 40 0 IKABRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408563209 555907570 /nfs/dbraw/zinc/90/75/70/555907570.db2.gz ACMILXISDZBEIV-COVFOYHZSA-N 0 0 446.616 5.159 40 0 IKABRN CC(C)Oc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000408563310 555907828 /nfs/dbraw/zinc/90/78/28/555907828.db2.gz LGNAVPZOSHZYLB-AREMUKBSSA-N 0 0 446.572 5.500 40 0 IKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000408568950 555912332 /nfs/dbraw/zinc/91/23/32/555912332.db2.gz VKBLZYPCALOQNH-UHFFFAOYSA-N 0 0 425.381 5.394 40 0 IKABRN Cc1ccc(C(C)C)c(OCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)c1 ZINC000408572038 555915640 /nfs/dbraw/zinc/91/56/40/555915640.db2.gz QMNVFNKEBAUNLY-UHFFFAOYSA-N 0 0 432.564 5.347 40 0 IKABRN CCOc1cc(C(=S)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408572629 555916230 /nfs/dbraw/zinc/91/62/30/555916230.db2.gz HMBJSGNVEHHTSA-KRWDZBQOSA-N 0 0 440.392 5.415 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408572758 555916889 /nfs/dbraw/zinc/91/68/89/555916889.db2.gz IBRYJCSRZLGKNX-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000408573383 555923350 /nfs/dbraw/zinc/92/33/50/555923350.db2.gz DIBXNHIMNSTDRZ-RDRPBHBLSA-N 0 0 433.595 7.334 40 0 IKABRN Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C)cc1I ZINC000408573832 555923999 /nfs/dbraw/zinc/92/39/99/555923999.db2.gz OQTXNTQENXSVCE-PKNBQFBNSA-N 0 0 443.284 5.820 40 0 IKABRN O=C(CSCc1ccccc1Br)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408574053 555924558 /nfs/dbraw/zinc/92/45/58/555924558.db2.gz HVQIZJMQILFQMC-UHFFFAOYSA-N 0 0 438.696 5.993 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000408574333 555925127 /nfs/dbraw/zinc/92/51/27/555925127.db2.gz LWKWRCHXGVMCHB-UHFFFAOYSA-N 0 0 425.981 6.091 40 0 IKABRN COc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000408574943 555925453 /nfs/dbraw/zinc/92/54/53/555925453.db2.gz NEFHTLSWPWTTJJ-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408574650 555925526 /nfs/dbraw/zinc/92/55/26/555925526.db2.gz JPPCRBBGDWFDMJ-CQSZACIVSA-N 0 0 428.907 5.188 40 0 IKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408574646 555925540 /nfs/dbraw/zinc/92/55/40/555925540.db2.gz JPPCRBBGDWFDMJ-AWEZNQCLSA-N 0 0 428.907 5.188 40 0 IKABRN Cc1nnc2sc(-c3ccccc3NC(=O)COc3ccc(C4CCCCC4)cc3)nn12 ZINC000408575199 555925629 /nfs/dbraw/zinc/92/56/29/555925629.db2.gz SNMTZWGTILNEGW-UHFFFAOYSA-N 0 0 447.564 5.226 40 0 IKABRN Cc1cccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000408575714 555926396 /nfs/dbraw/zinc/92/63/96/555926396.db2.gz FMSZPIBJKYFMCY-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN COc1cccc(C(=S)NCc2ccc(C)cc2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408576748 555927335 /nfs/dbraw/zinc/92/73/35/555927335.db2.gz QWYWIUIMYATHDL-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN Cc1ccc(CNC(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 ZINC000408577414 555927900 /nfs/dbraw/zinc/92/79/00/555927900.db2.gz SLQLCVOBKINFSB-UHFFFAOYSA-N 0 0 434.363 6.485 40 0 IKABRN CCc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408577451 555928379 /nfs/dbraw/zinc/92/83/79/555928379.db2.gz SPKOIGZMCFMQEF-UHFFFAOYSA-N 0 0 430.400 6.600 40 0 IKABRN Cc1cccc(CNC(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c1 ZINC000408578147 555929495 /nfs/dbraw/zinc/92/94/95/555929495.db2.gz WDKGVJYRMLSFMX-UHFFFAOYSA-N 0 0 434.363 6.485 40 0 IKABRN Fc1ccc(N2CCN(C(=S)c3ccccc3OCc3ccc(Cl)cc3)CC2)cc1 ZINC000408578129 555929583 /nfs/dbraw/zinc/92/95/83/555929583.db2.gz VVEQGTXOJJNGEG-UHFFFAOYSA-N 0 0 440.971 5.556 40 0 IKABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000408583608 555930185 /nfs/dbraw/zinc/93/01/85/555930185.db2.gz IQOGIWJGAPSECO-UHFFFAOYSA-N 0 0 429.586 5.020 40 0 IKABRN Fc1ccc(CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)cc1 ZINC000408583686 555930614 /nfs/dbraw/zinc/93/06/14/555930614.db2.gz WNCQBXANBJLPQQ-UHFFFAOYSA-N 0 0 443.263 6.356 40 0 IKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCc3nc4ccccc4c(=O)[nH]3)n2)cc1 ZINC000408580802 555933649 /nfs/dbraw/zinc/93/36/49/555933649.db2.gz DZEIVENAEMDMIF-UHFFFAOYSA-N 0 0 444.438 5.112 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1OCc1ccccc1 ZINC000408589090 555943952 /nfs/dbraw/zinc/94/39/52/555943952.db2.gz YNRCPUDADPCPHG-UHFFFAOYSA-N 0 0 430.729 6.242 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)c1 ZINC000035167900 555946337 /nfs/dbraw/zinc/94/63/37/555946337.db2.gz AJXHNEGBSWFSDY-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN C[C@@H]1CC[C@@](C)(COC(=O)c2ccccc2C(=O)OC[C@]2(C)CC[C@H](C)C2(C)C)C1(C)C ZINC000003846140 555948071 /nfs/dbraw/zinc/94/80/71/555948071.db2.gz NKAAAQIOGVGJLI-LZBZAAENSA-N 0 0 442.640 6.925 40 0 IKABRN CC(=O)C(C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000003846281 555948381 /nfs/dbraw/zinc/94/83/81/555948381.db2.gz RGMXZJHDZJTGFP-WDJPJFJCSA-N 0 0 448.559 5.332 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000003846392 555948481 /nfs/dbraw/zinc/94/84/81/555948481.db2.gz KRLZDCUGJCHXMY-UPZGGJIKSA-N 0 0 448.688 6.801 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CC[C@H](C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000003846381 555948505 /nfs/dbraw/zinc/94/85/05/555948505.db2.gz VPVSCDLLMXELSN-LXBAJFBKSA-N 0 0 446.672 6.721 40 0 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IKABRN CCCCc1ccc(NC(=O)C(=O)c2c(-c3ccc(OC)cc3)cc3ccccn32)cc1 ZINC000408675803 556068255 /nfs/dbraw/zinc/06/82/55/556068255.db2.gz KQFOLLMYXIJEDR-UHFFFAOYSA-N 0 0 426.516 5.779 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1 ZINC000005950093 556070774 /nfs/dbraw/zinc/07/07/74/556070774.db2.gz ACCPATVSLMPXHQ-UHFFFAOYSA-N 0 0 431.517 5.198 40 0 IKABRN C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000006067010 556073531 /nfs/dbraw/zinc/07/35/31/556073531.db2.gz XCDQFROEGGNAER-PFOIMGGJSA-N 0 0 428.745 8.249 40 0 biogenic,in-vitro IKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)N[C@H](c1ccncc1)O2 ZINC000006177176 556079547 /nfs/dbraw/zinc/07/95/47/556079547.db2.gz GQBPSVFAWAYQDU-QKVFXAPYSA-N 0 0 430.291 5.298 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Br)cc1 ZINC000035341132 556079606 /nfs/dbraw/zinc/07/96/06/556079606.db2.gz LFELLXXFJUAGRK-UHFFFAOYSA-N 0 0 425.326 5.387 40 0 IKABRN CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000035351497 556080641 /nfs/dbraw/zinc/08/06/41/556080641.db2.gz ARULIFWPUXMFKW-CQSZACIVSA-N 0 0 449.407 5.697 40 0 IKABRN CCOC(=O)N[C@@H](CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 ZINC000035351465 556080691 /nfs/dbraw/zinc/08/06/91/556080691.db2.gz NYJHSSURALDSFU-QWRLVCTISA-N 0 0 446.591 5.970 40 0 IKABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000006288854 556084302 /nfs/dbraw/zinc/08/43/02/556084302.db2.gz ITOKJHYPXFYXIC-UHFFFAOYSA-N 0 0 449.557 5.107 40 0 IKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(C)c(C)c2)cc1 ZINC000035376248 556088586 /nfs/dbraw/zinc/08/85/86/556088586.db2.gz BVOSRBSYSFIDAX-UHFFFAOYSA-N 0 0 434.388 6.314 40 0 IKABRN Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000035375141 556088596 /nfs/dbraw/zinc/08/85/96/556088596.db2.gz RTXYTGLWCJNSEN-UHFFFAOYSA-N 0 0 430.511 6.916 40 0 IKABRN COc1ccc(OC)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000035375971 556088625 /nfs/dbraw/zinc/08/86/25/556088625.db2.gz KOUCUUMBOMVUAG-UHFFFAOYSA-N 0 0 441.361 5.352 40 0 IKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408694355 556096137 /nfs/dbraw/zinc/09/61/37/556096137.db2.gz JKDQYSROYHJYLW-UHFFFAOYSA-N 0 0 447.336 5.566 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2-c2ccccc2)c(C)c1 ZINC000408694325 556096212 /nfs/dbraw/zinc/09/62/12/556096212.db2.gz JBCMCMMZTSTYEX-UHFFFAOYSA-N 0 0 447.336 5.566 40 0 IKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)c(Cl)c2)c1 ZINC000408695478 556097870 /nfs/dbraw/zinc/09/78/70/556097870.db2.gz QTNRESSDJRJBBM-UHFFFAOYSA-N 0 0 437.330 6.110 40 0 IKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2-c2ccccc2)c1 ZINC000408695691 556098083 /nfs/dbraw/zinc/09/80/83/556098083.db2.gz SECVIWGXPHEINH-UHFFFAOYSA-N 0 0 446.510 6.287 40 0 IKABRN O=C(Nc1cccc(Cl)c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000408698773 556101589 /nfs/dbraw/zinc/10/15/89/556101589.db2.gz PKYAAUDJDUJRSX-UHFFFAOYSA-N 0 0 443.721 6.147 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)cc1Cl ZINC000408698803 556101647 /nfs/dbraw/zinc/10/16/47/556101647.db2.gz PQUNLLULULPTFJ-UHFFFAOYSA-N 0 0 437.330 6.110 40 0 IKABRN CC(=O)Nc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000006761437 556103571 /nfs/dbraw/zinc/10/35/71/556103571.db2.gz DESCEMIHKAPNMY-UHFFFAOYSA-N 0 0 428.576 6.255 40 0 IKABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 ZINC000408722831 556149992 /nfs/dbraw/zinc/14/99/92/556149992.db2.gz GONQSHFACSVDIH-UXRGOTNFSA-N 0 0 437.539 5.220 40 0 IKABRN O=C1c2cc3c(cc2[C@H]2C[C@@H](OCc4ccccc4)CC[C@H]2N1Cc1ccccc1)OCO3 ZINC000008382455 556158533 /nfs/dbraw/zinc/15/85/33/556158533.db2.gz DSTSQAROMMWVIN-QQKQFIJSSA-N 0 0 441.527 5.293 40 0 biogenic,in-vitro IKABRN Clc1cccc(Cl)c1[C@@H]1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2 ZINC000008665392 556197588 /nfs/dbraw/zinc/19/75/88/556197588.db2.gz QJKYPKWPSHZWHV-RGHJJJJLSA-N 0 0 427.375 6.655 40 0 IKABRN Cc1cc(C)cc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 ZINC000008666766 556197842 /nfs/dbraw/zinc/19/78/42/556197842.db2.gz OGVNZOFNAYNXOJ-DEOSSOPVSA-N 0 0 447.604 5.597 40 0 IKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000408732156 556197845 /nfs/dbraw/zinc/19/78/45/556197845.db2.gz SVDQIEKICFZSIO-LGAXSRDJSA-N 0 0 429.519 5.585 40 0 IKABRN O=C1S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1cccc(O)c1 ZINC000008820706 556221067 /nfs/dbraw/zinc/22/10/67/556221067.db2.gz ALKKKXVSTKTGNB-MTJSOVHGSA-N 0 0 437.904 5.866 40 0 IKABRN CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3C)s2)cc1OCC ZINC000008823474 556224208 /nfs/dbraw/zinc/22/42/08/556224208.db2.gz RADGQDMBXSQLBP-UHFFFAOYSA-N 0 0 429.567 5.189 40 0 IKABRN COC[C@@H](C)N(C(=O)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21)c1ccccc1 ZINC000008835106 556225826 /nfs/dbraw/zinc/22/58/26/556225826.db2.gz DKLZKTDAVFSOFE-BBKFTCMMSA-N 0 0 443.522 5.414 40 0 IKABRN O=C(Nc1ccc(COc2ccccc2)cc1)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000008834671 556225827 /nfs/dbraw/zinc/22/58/27/556225827.db2.gz BEIJYKUXMJDGAG-UHFFFAOYSA-N 0 0 440.282 5.931 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc3nc(SCc4cccc5ccccc54)sc3c2)cc1 ZINC000408750400 556227496 /nfs/dbraw/zinc/22/74/96/556227496.db2.gz MJSNBKUKMSIONW-UHFFFAOYSA-N 0 0 440.593 7.303 40 0 IKABRN Nc1ccc2nc(SCc3ccc(Br)cc3Br)sc2c1 ZINC000408750736 556228374 /nfs/dbraw/zinc/22/83/74/556228374.db2.gz RBRZWCPRDUQEHK-UHFFFAOYSA-N 0 0 430.190 5.696 40 0 IKABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000009146164 556249451 /nfs/dbraw/zinc/24/94/51/556249451.db2.gz ACWIQOBERIUPSG-UHFFFAOYSA-N 0 0 429.585 6.886 40 0 IKABRN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009198135 556256189 /nfs/dbraw/zinc/25/61/89/556256189.db2.gz DCSQLSLJHBCODZ-UHFFFAOYSA-N 0 0 447.269 5.528 40 0 IKABRN Clc1ccccc1-c1nc(SCc2ccc(I)cc2)n[nH]1 ZINC000009197968 556256269 /nfs/dbraw/zinc/25/62/69/556256269.db2.gz QPJGCCPVXBZCAL-UHFFFAOYSA-N 0 0 427.698 5.022 40 0 IKABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1 ZINC000009199024 556256834 /nfs/dbraw/zinc/25/68/34/556256834.db2.gz JSBKUJIMEQTMRE-UHFFFAOYSA-N 0 0 441.862 5.372 40 0 IKABRN CC(=O)c1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000009200054 556257363 /nfs/dbraw/zinc/25/73/63/556257363.db2.gz DQYVBPMGHMHFPK-UHFFFAOYSA-N 0 0 443.528 5.183 40 0 IKABRN Clc1cccc(CSc2nnc(-c3ccc(I)cc3)o2)c1 ZINC000009200467 556257374 /nfs/dbraw/zinc/25/73/74/556257374.db2.gz MWRPPJKJKCPINJ-UHFFFAOYSA-N 0 0 428.682 5.287 40 0 IKABRN Clc1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1Cl ZINC000009199815 556257385 /nfs/dbraw/zinc/25/73/85/556257385.db2.gz SRNKBTUMXLJUDV-UHFFFAOYSA-N 0 0 427.356 6.849 40 0 IKABRN C[C@H]1O[C@@H](n2c3ccccc3c3ccccc32)[C@H](C)O[C@H]1n1c2ccccc2c2ccccc21 ZINC000009245295 556267083 /nfs/dbraw/zinc/26/70/83/556267083.db2.gz FPILFFLXHSKNOF-GBJTXXJHSA-N 0 0 446.550 7.424 40 0 IKABRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000009262238 556269238 /nfs/dbraw/zinc/26/92/38/556269238.db2.gz WZWDCZHDVJFWKG-NTEUORMPSA-N 0 0 439.967 5.152 40 0 IKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br ZINC000013683893 556274913 /nfs/dbraw/zinc/27/49/13/556274913.db2.gz IEXSTSBFKSWMKT-OAHLLOKOSA-N 0 0 447.373 5.118 40 0 IKABRN C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000013684276 556275125 /nfs/dbraw/zinc/27/51/25/556275125.db2.gz IUXFLEKWFNMHOF-IBGZPJMESA-N 0 0 430.548 5.493 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000013684273 556275188 /nfs/dbraw/zinc/27/51/88/556275188.db2.gz IUXFLEKWFNMHOF-LJQANCHMSA-N 0 0 430.548 5.493 40 0 IKABRN O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cccc(OCc2ccccc2)c1 ZINC000013684632 556275294 /nfs/dbraw/zinc/27/52/94/556275294.db2.gz YWUSQWZLGZZEQX-UHFFFAOYSA-N 0 0 426.472 5.041 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)c3ccccc3)nc3sc(C)c(C)c3c2=O)cc1 ZINC000009296186 556275425 /nfs/dbraw/zinc/27/54/25/556275425.db2.gz HDICJMGKJIMTRZ-UHFFFAOYSA-N 0 0 434.586 5.601 40 0 IKABRN O=C1Nc2ccccc2/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000009296335 556275463 /nfs/dbraw/zinc/27/54/63/556275463.db2.gz GEUNPHAGYYQPKI-WOJGMQOQSA-N 0 0 440.724 6.174 40 0 IKABRN O=C1Nc2ccccc2/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000009296349 556275510 /nfs/dbraw/zinc/27/55/10/556275510.db2.gz IROYTOZVYMZYEB-RQZCQDPDSA-N 0 0 430.718 6.719 40 0 IKABRN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 ZINC000013684971 556275493 /nfs/dbraw/zinc/27/54/93/556275493.db2.gz DLKUHVTULYYTMU-QFIPXVFZSA-N 0 0 448.566 6.215 40 0 IKABRN CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl ZINC000009296342 556275543 /nfs/dbraw/zinc/27/55/43/556275543.db2.gz XIMJWGVNHLCOMW-YBFXNURJSA-N 0 0 440.326 6.464 40 0 IKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000013685299 556275825 /nfs/dbraw/zinc/27/58/25/556275825.db2.gz GGKLAPREKKRELW-VQTJNVASSA-N 0 0 438.527 5.737 40 0 IKABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc21)c1ccccc1 ZINC000013685469 556276004 /nfs/dbraw/zinc/27/60/04/556276004.db2.gz YXTDSUHEZOBPFP-PMACEKPBSA-N 0 0 438.527 5.737 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1OCc1ccccc1 ZINC000013687376 556277046 /nfs/dbraw/zinc/27/70/46/556277046.db2.gz YEBVGGNXAYTGIR-UHFFFAOYSA-N 0 0 441.914 6.402 40 0 IKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687810 556277444 /nfs/dbraw/zinc/27/74/44/556277444.db2.gz GFKRINDGPCNRLG-UHFFFAOYSA-N 0 0 429.903 6.964 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687836 556277797 /nfs/dbraw/zinc/27/77/97/556277797.db2.gz NHVKJDMBOZBFLH-UHFFFAOYSA-N 0 0 440.248 6.844 40 0 IKABRN COc1cc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(OC)cc1Cl ZINC000013687822 556277808 /nfs/dbraw/zinc/27/78/08/556277808.db2.gz VCCADKGHANHHFL-UHFFFAOYSA-N 0 0 432.303 5.842 40 0 IKABRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccccc1CCc1ccccc1 ZINC000013688300 556277983 /nfs/dbraw/zinc/27/79/83/556277983.db2.gz HRGRMLFGMGTQDM-UHFFFAOYSA-N 0 0 444.427 6.442 40 0 IKABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1CCc1ccccc1 ZINC000013688305 556278044 /nfs/dbraw/zinc/27/80/44/556278044.db2.gz NYYRBSBBWZMMKY-UHFFFAOYSA-N 0 0 444.427 6.442 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1CCc1ccccc1 ZINC000013688371 556278084 /nfs/dbraw/zinc/27/80/84/556278084.db2.gz YWIHLACTZSOYQO-UHFFFAOYSA-N 0 0 427.931 7.170 40 0 IKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013708690 556283623 /nfs/dbraw/zinc/28/36/23/556283623.db2.gz TYOMPMHBWXLCAU-QGZVFWFLSA-N 0 0 429.903 6.130 40 0 IKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000013708418 556283629 /nfs/dbraw/zinc/28/36/29/556283629.db2.gz HBWFAHBDYPTXOT-HNNXBMFYSA-N 0 0 434.388 5.964 40 0 IKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000013709166 556283650 /nfs/dbraw/zinc/28/36/50/556283650.db2.gz GENVICHILVQIQR-OAHLLOKOSA-N 0 0 434.388 5.964 40 0 IKABRN C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013709909 556283882 /nfs/dbraw/zinc/28/38/82/556283882.db2.gz CSYPDFRIKWOINO-FQEVSTJZSA-N 0 0 434.967 5.041 40 0 IKABRN C[C@H](Oc1cccc2ccccc21)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000013709197 556283922 /nfs/dbraw/zinc/28/39/22/556283922.db2.gz JQEQNAYEBPCGND-HNNXBMFYSA-N 0 0 434.388 5.964 40 0 IKABRN CC[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712695 556285110 /nfs/dbraw/zinc/28/51/10/556285110.db2.gz FSLSGNJPHLODCQ-JOCHJYFZSA-N 0 0 442.968 5.190 40 0 IKABRN CC[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713939 556286029 /nfs/dbraw/zinc/28/60/29/556286029.db2.gz MLTCIRHDMPOMSU-KRWDZBQOSA-N 0 0 449.787 5.139 40 0 IKABRN CC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714858 556286757 /nfs/dbraw/zinc/28/67/57/556286757.db2.gz KVYGGBURMSGEET-QFIPXVFZSA-N 0 0 442.968 5.190 40 0 IKABRN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013717348 556287992 /nfs/dbraw/zinc/28/79/92/556287992.db2.gz PUXORFRMGKIODY-UHFFFAOYSA-N 0 0 442.559 5.169 40 0 IKABRN O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1c(Cl)cccc1Cl ZINC000013717009 556288038 /nfs/dbraw/zinc/28/80/38/556288038.db2.gz AJRSWNBYWVLUHJ-UHFFFAOYSA-N 0 0 444.427 6.565 40 0 IKABRN CCC(CC)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(CC)CC)c(O)c2)cc1O ZINC000009426169 556290175 /nfs/dbraw/zinc/29/01/75/556290175.db2.gz KUEYTTWJAHJBEY-UHFFFAOYSA-N 0 0 426.557 5.438 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccncc1 ZINC000009494742 556294740 /nfs/dbraw/zinc/29/47/40/556294740.db2.gz MNFCERWYGSHAAG-UHFFFAOYSA-N 0 0 442.759 5.051 40 0 IKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2Cl)c1 ZINC000009570162 556299765 /nfs/dbraw/zinc/29/97/65/556299765.db2.gz MNQSTOPXPFJNSG-UHFFFAOYSA-N 0 0 448.979 5.551 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 ZINC000009571752 556300058 /nfs/dbraw/zinc/30/00/58/556300058.db2.gz XDXQFCWATXHLNZ-UHFFFAOYSA-N 0 0 446.551 5.290 40 0 IKABRN Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)c1C ZINC000009571655 556300126 /nfs/dbraw/zinc/30/01/26/556300126.db2.gz RTHQFICIDOFLAC-UHFFFAOYSA-N 0 0 446.551 5.345 40 0 IKABRN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc4c(c32)CC[C@H](C)C4)cc1 ZINC000009642542 556304395 /nfs/dbraw/zinc/30/43/95/556304395.db2.gz GHHQNJYMALKJES-GXTWGEPZSA-N 0 0 425.579 5.138 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)c(C)c1 ZINC000009886476 556314947 /nfs/dbraw/zinc/31/49/47/556314947.db2.gz HMYREENTSSTUFR-UHFFFAOYSA-N 0 0 442.540 5.512 40 0 IKABRN Cc1nn2c(nc(-c3ccncc3)cc2C(F)(F)F)c1-c1cccc(Br)c1 ZINC000009877274 556314973 /nfs/dbraw/zinc/31/49/73/556314973.db2.gz CJMOCAWRZJKTDI-UHFFFAOYSA-N 0 0 433.231 5.548 40 0 IKABRN COc1ccccc1C(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 ZINC000009886317 556314989 /nfs/dbraw/zinc/31/49/89/556314989.db2.gz QNTCFZJZYRIKDO-UHFFFAOYSA-N 0 0 449.557 5.113 40 0 IKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000009971326 556319244 /nfs/dbraw/zinc/31/92/44/556319244.db2.gz UIILXEDQKHSJDS-HRCADAONSA-N 0 0 449.378 5.803 40 0 IKABRN Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)sc2nc(-c3ccccc3)cn12 ZINC000010069132 556325050 /nfs/dbraw/zinc/32/50/50/556325050.db2.gz ANYVACDSYGZQDT-UHFFFAOYSA-N 0 0 437.568 6.214 40 0 IKABRN Cc1nn2c(nnc3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156908 556326990 /nfs/dbraw/zinc/32/69/90/556326990.db2.gz LIUCBHXXKCPMJW-IBGZPJMESA-N 0 0 430.939 5.789 40 0 IKABRN COc1ccccc1-c1c(C(C)C)nn2c1nnc1c2C[C@@H](C=Cc2ccccc2)CC1=O ZINC000010156967 556327207 /nfs/dbraw/zinc/32/72/07/556327207.db2.gz DQGGUGFEYNSYIG-JKIKYLSZSA-N 0 0 438.531 5.382 40 0 IKABRN COCc1nn2c(nnc3c2C[C@@H](C=Cc2ccccc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156931 556327223 /nfs/dbraw/zinc/32/72/23/556327223.db2.gz USYSZOCTEYRSOS-SXSDINLZSA-N 0 0 444.922 5.050 40 0 IKABRN COc1ccc(-c2cc(C(=O)Nc3ccccc3Oc3ccccc3)c3ccccc3n2)cc1 ZINC000013893233 556327606 /nfs/dbraw/zinc/32/76/06/556327606.db2.gz WQVWHYMMDYQOMT-UHFFFAOYSA-N 0 0 446.506 6.955 40 0 IKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3C[C@@H]2C)cc1 ZINC000010326592 556331515 /nfs/dbraw/zinc/33/15/15/556331515.db2.gz QXKMBIOHMPKFEA-IBGZPJMESA-N 0 0 434.561 5.004 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C2=O)c1 ZINC000214605741 556336309 /nfs/dbraw/zinc/33/63/09/556336309.db2.gz XTBDYQWFHOTVMN-OEAKJJBVSA-N 0 0 449.959 6.464 40 0 IKABRN COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)c3ccccc3n2)cc1 ZINC000013957215 556345099 /nfs/dbraw/zinc/34/50/99/556345099.db2.gz ZBBBEJKWNNXQFZ-UHFFFAOYSA-N 0 0 448.906 5.833 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000013966298 556350252 /nfs/dbraw/zinc/35/02/52/556350252.db2.gz DRKHGTRHHSRQHC-UHFFFAOYSA-N 0 0 427.718 7.114 40 0 IKABRN CC(C)c1ccccc1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014009284 556354186 /nfs/dbraw/zinc/35/41/86/556354186.db2.gz IIXOOUOUGYEWCX-UHFFFAOYSA-N 0 0 428.576 5.123 40 0 IKABRN CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000014031004 556357534 /nfs/dbraw/zinc/35/75/34/556357534.db2.gz XVEXHRPMOILVER-UHFFFAOYSA-N 0 0 438.549 5.145 40 0 IKABRN O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214774451 556369990 /nfs/dbraw/zinc/36/99/90/556369990.db2.gz RNQWBCBFYXWZKI-VIZOYTHASA-N 0 0 433.143 6.537 40 0 IKABRN COc1c2c(c(OC)c3ccccc31)[C@H]1O[C@@H]2[C@H]2[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000037246246 556371239 /nfs/dbraw/zinc/37/12/39/556371239.db2.gz BPGDPTLAGQOQTD-JZUJEJOVSA-N 0 0 432.519 6.506 40 0 IKABRN O=C1c2ccccc2[C@@]2(O)[C@H]1[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000037259942 556377799 /nfs/dbraw/zinc/37/77/99/556377799.db2.gz XIHNGQBYDVKORK-AWYWNVKQSA-N 0 0 432.519 5.156 40 0 IKABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Cc2ccncc2)cc1 ZINC000012058156 556394833 /nfs/dbraw/zinc/39/48/33/556394833.db2.gz FWMDZUQQRLBTCT-UHFFFAOYSA-N 0 0 431.717 5.106 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000014649521 556431171 /nfs/dbraw/zinc/43/11/71/556431171.db2.gz PIJWBBMCBRFVEU-UHFFFAOYSA-N 0 0 431.157 6.071 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(Br)c1 ZINC000014649499 556431176 /nfs/dbraw/zinc/43/11/76/556431176.db2.gz QCYLLNMSKUDRES-UHFFFAOYSA-N 0 0 441.163 5.527 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2Br)c(Br)c1 ZINC000014649582 556431185 /nfs/dbraw/zinc/43/11/85/556431185.db2.gz ZIUFSICUTSBYDW-UHFFFAOYSA-N 0 0 441.163 5.527 40 0 IKABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000014671144 556431376 /nfs/dbraw/zinc/43/13/76/556431376.db2.gz HWJCXISZRFRFHO-UHFFFAOYSA-N 0 0 437.858 5.893 40 0 IKABRN CC(C)Oc1ccc(C(=O)NC(=S)NNc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000027839575 556434220 /nfs/dbraw/zinc/43/42/20/556434220.db2.gz FLAWKCYLGYTLMC-UHFFFAOYSA-N 0 0 432.760 5.065 40 0 IKABRN CCCCCCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2ncnn21 ZINC000039427736 556436217 /nfs/dbraw/zinc/43/62/17/556436217.db2.gz FYWVDSRKUZVQAT-HSZRJFAPSA-N 0 0 431.540 5.165 40 0 IKABRN O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000039760863 556436250 /nfs/dbraw/zinc/43/62/50/556436250.db2.gz WIDNMIPSTFGMEP-LFIBNONCSA-N 0 0 426.501 5.109 40 0 IKABRN COc1cc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c(OC)cc1Cl ZINC000039766794 556437134 /nfs/dbraw/zinc/43/71/34/556437134.db2.gz IJPCVTIWHNNJPC-UHFFFAOYSA-N 0 0 441.330 5.000 40 0 IKABRN C[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000039767956 556437407 /nfs/dbraw/zinc/43/74/07/556437407.db2.gz UYOOJZYPCAQAFV-QGZVFWFLSA-N 0 0 430.995 5.866 40 0 IKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039751348 556438808 /nfs/dbraw/zinc/43/88/08/556438808.db2.gz ZQRYRXIURSBKOR-UHFFFAOYSA-N 0 0 438.930 6.122 40 0 IKABRN CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 ZINC000013026681 556440530 /nfs/dbraw/zinc/44/05/30/556440530.db2.gz MEHADVLLTWUHQN-XMMPIXPASA-N 0 0 434.536 5.439 40 0 IKABRN CC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013026908 556440537 /nfs/dbraw/zinc/44/05/37/556440537.db2.gz JZJKZJCFFDBHFS-VWLOTQADSA-N 0 0 444.531 5.238 40 0 IKABRN COc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)n2)cc1 ZINC000014773518 556445120 /nfs/dbraw/zinc/44/51/20/556445120.db2.gz QHWZUPBTSBYXAP-UHFFFAOYSA-N 0 0 449.894 5.762 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1C ZINC000014833492 556448978 /nfs/dbraw/zinc/44/89/78/556448978.db2.gz PUBCMVUYCWTQJV-MKMNVTDBSA-N 0 0 440.952 5.410 40 0 IKABRN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(COc3ccccc3)cc2)cc1Cl ZINC000028406056 556453973 /nfs/dbraw/zinc/45/39/73/556453973.db2.gz PWCLFUHKWLVCHR-UHFFFAOYSA-N 0 0 441.922 6.100 40 0 IKABRN O=C(Nn1c(Cc2ccccc2)nc2ccccc2c1=O)c1ccccc1-c1ccccc1 ZINC000013084193 556455958 /nfs/dbraw/zinc/45/59/58/556455958.db2.gz WSIRBUVGPIGTLR-UHFFFAOYSA-N 0 0 431.495 5.038 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000408871405 556462356 /nfs/dbraw/zinc/46/23/56/556462356.db2.gz YAHYECYIIXTVFI-CHHVJCJISA-N 0 0 428.724 5.892 40 0 IKABRN COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)CC1 ZINC000408875921 556466031 /nfs/dbraw/zinc/46/60/31/556466031.db2.gz MKQYNEASADSUKS-UHFFFAOYSA-N 0 0 449.982 5.232 40 0 IKABRN O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(c2ccccc2F)CC1 ZINC000029513508 556477074 /nfs/dbraw/zinc/47/70/74/556477074.db2.gz UMQQMYHFORVOHQ-UHFFFAOYSA-N 0 0 445.469 5.249 40 0 IKABRN Clc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000015015673 556484865 /nfs/dbraw/zinc/48/48/65/556484865.db2.gz DQYALQZHEVSAKS-OAQYLSRUSA-N 0 0 432.936 5.987 40 0 IKABRN CCOC(=O)c1oc2ccc(Cl)cc2c1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000015017631 556486480 /nfs/dbraw/zinc/48/64/80/556486480.db2.gz OGSZFKNDRDNEAV-UHFFFAOYSA-N 0 0 433.335 5.239 40 0 IKABRN COc1ccc(/C=C(/C(=O)NCCSCc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000408906860 556492377 /nfs/dbraw/zinc/49/23/77/556492377.db2.gz JKFYDDCBRIUQAD-JJIBRWJFSA-N 0 0 437.992 5.939 40 0 IKABRN Cc1cccc(OCCCC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1C ZINC000013227609 556500111 /nfs/dbraw/zinc/50/01/11/556500111.db2.gz GBFSLDADNQREIX-QFIPXVFZSA-N 0 0 444.579 5.144 40 0 IKABRN Brc1ccc(-c2nc3ccccc3c(Br)c2Br)cc1 ZINC000013283282 556501771 /nfs/dbraw/zinc/50/17/71/556501771.db2.gz UQVYCSTUWRRZNQ-UHFFFAOYSA-N 0 0 441.948 6.189 40 0 IKABRN Cc1cc(NC(=O)c2ccc(C(=O)Nc3cc(C)nc4ccccc43)cc2)c2ccccc2n1 ZINC000013283041 556501807 /nfs/dbraw/zinc/50/18/07/556501807.db2.gz ABQQNUYNYNCUCW-UHFFFAOYSA-N 0 0 446.510 5.904 40 0 IKABRN Cc1ccc(CN(C)C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000030752248 556503117 /nfs/dbraw/zinc/50/31/17/556503117.db2.gz BSIKPZOGPCRWJB-AREMUKBSSA-N 0 0 430.573 5.041 40 0 IKABRN Cc1ccc(CN(C)C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000030752244 556503245 /nfs/dbraw/zinc/50/32/45/556503245.db2.gz BSIKPZOGPCRWJB-SANMLTNESA-N 0 0 430.573 5.041 40 0 IKABRN COc1ccc(SCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000030752821 556503459 /nfs/dbraw/zinc/50/34/59/556503459.db2.gz RURSDXZZHVTZAS-UHFFFAOYSA-N 0 0 446.421 5.152 40 0 IKABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000030753300 556503596 /nfs/dbraw/zinc/50/35/96/556503596.db2.gz UMENSUVIVHKGFI-UHFFFAOYSA-N 0 0 436.559 5.064 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030756300 556504761 /nfs/dbraw/zinc/50/47/61/556504761.db2.gz RJHCQNFBAIDLSV-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000030758171 556505163 /nfs/dbraw/zinc/50/51/63/556505163.db2.gz QZSWZAQECBEQBZ-IBGZPJMESA-N 0 0 428.381 5.209 40 0 IKABRN CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1 ZINC000408919333 556505553 /nfs/dbraw/zinc/50/55/53/556505553.db2.gz WNABOGRRIFDPPN-ZOVQAKDCSA-N 0 0 443.930 5.223 40 0 IKABRN CCn1cc(-c2csc(NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)n2)cn1 ZINC000036611228 556506787 /nfs/dbraw/zinc/50/67/87/556506787.db2.gz WKNTXQBXHSNGCP-UHFFFAOYSA-N 0 0 442.928 5.413 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 ZINC000030847804 556507754 /nfs/dbraw/zinc/50/77/54/556507754.db2.gz OPJMJKAATKPNQH-OAHLLOKOSA-N 0 0 446.931 5.079 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)c1 ZINC000030849323 556508380 /nfs/dbraw/zinc/50/83/80/556508380.db2.gz YLSCIXXPBLDXHZ-SFHVURJKSA-N 0 0 440.540 5.043 40 0 IKABRN CCCCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000030849427 556508425 /nfs/dbraw/zinc/50/84/25/556508425.db2.gz OGTJEOBPDSAKHT-UHFFFAOYSA-N 0 0 442.968 5.736 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000030850474 556508581 /nfs/dbraw/zinc/50/85/81/556508581.db2.gz QHMDSCSUJRDPRJ-UHFFFAOYSA-N 0 0 440.590 5.017 40 0 IKABRN COc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC ZINC000030851118 556508692 /nfs/dbraw/zinc/50/86/92/556508692.db2.gz ZYIXDNZFVPRXJN-UHFFFAOYSA-N 0 0 446.547 5.435 40 0 IKABRN CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(OC)cc1 ZINC000030853321 556509270 /nfs/dbraw/zinc/50/92/70/556509270.db2.gz UJXMUQGOKLSCCO-LJQANCHMSA-N 0 0 434.374 5.402 40 0 IKABRN CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(OC)cc1 ZINC000030853323 556509337 /nfs/dbraw/zinc/50/93/37/556509337.db2.gz UJXMUQGOKLSCCO-IBGZPJMESA-N 0 0 434.374 5.402 40 0 IKABRN COc1ccc([C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OC ZINC000030852504 556509390 /nfs/dbraw/zinc/50/93/90/556509390.db2.gz SGGSEQXAERDZEB-MRXNPFEDSA-N 0 0 425.912 5.427 40 0 IKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000030856809 556510433 /nfs/dbraw/zinc/51/04/33/556510433.db2.gz SHQXMBXXVWOSNO-DEOSSOPVSA-N 0 0 436.577 5.313 40 0 IKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000030856802 556510498 /nfs/dbraw/zinc/51/04/98/556510498.db2.gz SHQXMBXXVWOSNO-XMMPIXPASA-N 0 0 436.577 5.313 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3c4ccccc4C[C@@H]3C)c2)cc1 ZINC000030860582 556510990 /nfs/dbraw/zinc/51/09/90/556510990.db2.gz PWEMSDLUXONHMN-INIZCTEOSA-N 0 0 440.952 5.041 40 0 IKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000030860240 556511105 /nfs/dbraw/zinc/51/11/05/556511105.db2.gz GFIJZZDKXUKCGG-CPJSRVTESA-N 0 0 430.548 5.591 40 0 IKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000030862807 556511344 /nfs/dbraw/zinc/51/13/44/556511344.db2.gz ZTEKGCIRBSGBDQ-RUZDIDTESA-N 0 0 430.548 5.698 40 0 IKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000030861626 556511410 /nfs/dbraw/zinc/51/14/10/556511410.db2.gz MJEIMNDSEMRGCV-GBXCKJPGSA-N 0 0 430.548 5.591 40 0 IKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000030862939 556511688 /nfs/dbraw/zinc/51/16/88/556511688.db2.gz KMKVNOIKIOGGSZ-OAQYLSRUSA-N 0 0 443.587 6.546 40 0 IKABRN CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@@]21/C=C/c1ccc(Cl)cc1 ZINC000015222431 556512153 /nfs/dbraw/zinc/51/21/53/556512153.db2.gz HAACGPUOUUCXPB-NUKGXUILSA-N 0 0 428.963 5.890 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@H]3C)c(Cl)c2)cc1 ZINC000030868832 556513184 /nfs/dbraw/zinc/51/31/84/556513184.db2.gz KGUYARIYCJGLQZ-MRXNPFEDSA-N 0 0 440.952 5.041 40 0 IKABRN O=C(N[C@@H]1CCCc2ccccc21)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F ZINC000036615810 556513382 /nfs/dbraw/zinc/51/33/82/556513382.db2.gz FUAIZIKHIDNOML-JOCHJYFZSA-N 0 0 426.495 5.244 40 0 IKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000030871597 556513851 /nfs/dbraw/zinc/51/38/51/556513851.db2.gz CPYSPBVCLUGGDV-XMMPIXPASA-N 0 0 430.548 5.072 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3C(C)C)c2)cc1 ZINC000030873810 556514042 /nfs/dbraw/zinc/51/40/42/556514042.db2.gz ZUACNGFZMXUWDW-UHFFFAOYSA-N 0 0 442.968 5.825 40 0 IKABRN CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000030873204 556514068 /nfs/dbraw/zinc/51/40/68/556514068.db2.gz IQZKRPFKGIJDTM-UHFFFAOYSA-N 0 0 428.576 5.399 40 0 IKABRN COc1ccc(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC ZINC000030872736 556514072 /nfs/dbraw/zinc/51/40/72/556514072.db2.gz DONJIBQSHMUYIC-UHFFFAOYSA-N 0 0 429.925 5.880 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000030938679 556515577 /nfs/dbraw/zinc/51/55/77/556515577.db2.gz PTUCAYUJKPOZKU-CYBMUJFWSA-N 0 0 432.178 6.151 40 0 IKABRN CCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1Br ZINC000037196627 556517438 /nfs/dbraw/zinc/51/74/38/556517438.db2.gz HQICZKAFWRAAMH-UHFFFAOYSA-N 0 0 433.571 6.184 40 0 IKABRN CCCC[NH+](CCCC)C[C@@H](C(C)=O)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841530 556526768 /nfs/dbraw/zinc/52/67/68/556526768.db2.gz SGJLLIYCHAVIGF-UKILVPOCSA-N 0 0 449.591 5.738 40 0 IKABRN Cc1ccc(C(C)C)c(OCCOc2ccc(Cl)cc2C=C2SC(=S)NC2=O)c1 ZINC000032109511 556529977 /nfs/dbraw/zinc/52/99/77/556529977.db2.gz RXGDUYGDFXCPFI-NDENLUEZSA-N 0 0 448.009 6.559 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1C ZINC000032111955 556530566 /nfs/dbraw/zinc/53/05/66/556530566.db2.gz SNGGZHZLHLKYJA-UHFFFAOYSA-N 0 0 426.903 7.171 40 0 IKABRN Cc1cc(NC(=O)COc2ccc(Cl)cc2C)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114636 556531151 /nfs/dbraw/zinc/53/11/51/556531151.db2.gz KEEWZTIXAIFPLM-UHFFFAOYSA-N 0 0 448.906 5.973 40 0 IKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 ZINC000032114783 556531216 /nfs/dbraw/zinc/53/12/16/556531216.db2.gz LXYBGDBTPCXNLJ-UHFFFAOYSA-N 0 0 428.822 5.752 40 0 IKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1C ZINC000032115134 556531490 /nfs/dbraw/zinc/53/14/90/556531490.db2.gz FWEISJNVQVHOPR-UHFFFAOYSA-N 0 0 442.849 6.061 40 0 IKABRN CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000032115281 556531530 /nfs/dbraw/zinc/53/15/30/556531530.db2.gz KJMSWKAFWOYVHV-UHFFFAOYSA-N 0 0 425.312 5.148 40 0 IKABRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc2ccccc2c1 ZINC000032115504 556531839 /nfs/dbraw/zinc/53/18/39/556531839.db2.gz HETNRXXJRMSFDK-UHFFFAOYSA-N 0 0 434.829 6.832 40 0 IKABRN CCCCC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccccc3)c2)cc1OC ZINC000032115495 556531842 /nfs/dbraw/zinc/53/18/42/556531842.db2.gz ODHKRIIQMMDZLJ-UHFFFAOYSA-N 0 0 432.520 5.655 40 0 IKABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1OC ZINC000032115481 556531847 /nfs/dbraw/zinc/53/18/47/556531847.db2.gz GLKWSQPWUXIHAI-UHFFFAOYSA-N 0 0 435.549 5.104 40 0 IKABRN COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000032116434 556532150 /nfs/dbraw/zinc/53/21/50/556532150.db2.gz JPTPZUHXZISUDS-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1C ZINC000032116527 556532445 /nfs/dbraw/zinc/53/24/45/556532445.db2.gz NGXCZZQMHPVVDU-UXBLZVDNSA-N 0 0 437.326 7.070 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)ccc3o2)cc1C ZINC000032116606 556532482 /nfs/dbraw/zinc/53/24/82/556532482.db2.gz IZYDNSJDYPFQIN-UHFFFAOYSA-N 0 0 443.572 6.362 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc2c(Br)cccc12 ZINC000032116723 556532706 /nfs/dbraw/zinc/53/27/06/556532706.db2.gz OVAXFILSOFTJCF-UHFFFAOYSA-N 0 0 428.635 6.527 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 ZINC000032116696 556532731 /nfs/dbraw/zinc/53/27/31/556532731.db2.gz RLGYXZCWHNAJAA-UHFFFAOYSA-N 0 0 441.314 6.679 40 0 IKABRN Cc1sc(NC(=O)Cn2ccc3cc(Br)ccc32)nc1-c1ccccc1 ZINC000032124660 556533714 /nfs/dbraw/zinc/53/37/14/556533714.db2.gz BBELATNNLFCKOM-UHFFFAOYSA-N 0 0 426.339 5.474 40 0 IKABRN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC[C@H](C)C[C@@H]4C3=O)c2)cc1 ZINC000100397799 556533824 /nfs/dbraw/zinc/53/38/24/556533824.db2.gz LDFZKOYCRHBCOW-RTFZILSDSA-N 0 0 433.548 5.519 40 0 IKABRN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)cc1 ZINC000100397803 556533839 /nfs/dbraw/zinc/53/38/39/556533839.db2.gz LDFZKOYCRHBCOW-VSDWSMLSSA-N 0 0 433.548 5.519 40 0 IKABRN Cc1ccccc1NC(=O)COc1ccc(-c2nc3sc4ccccc4c3c(=O)[nH]2)cc1 ZINC000032125281 556534614 /nfs/dbraw/zinc/53/46/14/556534614.db2.gz FHZNBOWHLVRCDX-UHFFFAOYSA-N 0 0 441.512 5.131 40 0 IKABRN Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(Br)c1 ZINC000032125280 556534627 /nfs/dbraw/zinc/53/46/27/556534627.db2.gz USXJYRXCHFZBOZ-UHFFFAOYSA-N 0 0 431.374 5.320 40 0 IKABRN COc1ccc(NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1 ZINC000032125473 556535166 /nfs/dbraw/zinc/53/51/66/556535166.db2.gz SBOVLVPCRYQYLU-UHFFFAOYSA-N 0 0 444.534 7.072 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000032126259 556535218 /nfs/dbraw/zinc/53/52/18/556535218.db2.gz IZLFIZMAFWVLTE-UHFFFAOYSA-N 0 0 428.875 6.562 40 0 IKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4Cl)c3)nn12 ZINC000032126482 556535414 /nfs/dbraw/zinc/53/54/14/556535414.db2.gz LNYHWIVHJHGLEN-SOFGYWHQSA-N 0 0 444.347 5.428 40 0 IKABRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000032126552 556535432 /nfs/dbraw/zinc/53/54/32/556535432.db2.gz LKTHLBCPFRLDBP-UHFFFAOYSA-N 0 0 439.924 5.299 40 0 IKABRN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1cccc2c(Cl)cccc12 ZINC000032126448 556535496 /nfs/dbraw/zinc/53/54/96/556535496.db2.gz KHXVCJKYUXUSQE-UHFFFAOYSA-N 0 0 448.909 7.707 40 0 IKABRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(OCc2ccccc2)cc1 ZINC000032126956 556536001 /nfs/dbraw/zinc/53/60/01/556536001.db2.gz LGACLVRPHMPZQL-UHFFFAOYSA-N 0 0 429.328 6.434 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1 ZINC000032127161 556536024 /nfs/dbraw/zinc/53/60/24/556536024.db2.gz JJYBERYSMWIZAN-UHFFFAOYSA-N 0 0 436.511 7.079 40 0 IKABRN CCOc1ccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1Br ZINC000032127581 556536613 /nfs/dbraw/zinc/53/66/13/556536613.db2.gz ZSWZTJZANYGDEF-UHFFFAOYSA-N 0 0 441.734 5.372 40 0 IKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628283 556537908 /nfs/dbraw/zinc/53/79/08/556537908.db2.gz QFAZZVRJLWUMOF-FQEVSTJZSA-N 0 0 444.575 6.259 40 0 IKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628237 556537992 /nfs/dbraw/zinc/53/79/92/556537992.db2.gz JDJOHUOQEAPUGY-IBGZPJMESA-N 0 0 430.548 5.951 40 0 IKABRN Cc1cccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628240 556538036 /nfs/dbraw/zinc/53/80/36/556538036.db2.gz JDJOHUOQEAPUGY-LJQANCHMSA-N 0 0 430.548 5.951 40 0 IKABRN O=C1C[C@@H](c2ccco2)Cc2nc3nc(SCc4cccc5ccccc54)nn3cc21 ZINC000013634343 556540213 /nfs/dbraw/zinc/54/02/13/556540213.db2.gz BUKINVRCMYLRJM-KRWDZBQOSA-N 0 0 426.501 5.076 40 0 IKABRN O=C1C[C@H](c2cccs2)Cc2nc3nc(SCc4cccc5ccccc54)nn3cc21 ZINC000013634454 556540542 /nfs/dbraw/zinc/54/05/42/556540542.db2.gz QZEUMUWJTBMPMZ-QGZVFWFLSA-N 0 0 442.569 5.544 40 0 IKABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000013634974 556540623 /nfs/dbraw/zinc/54/06/23/556540623.db2.gz MZEGIOFRXYPYDU-HXUWFJFHSA-N 0 0 440.341 5.431 40 0 IKABRN CCOc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc54)c(C)nn3c2C)cc1 ZINC000013635666 556540902 /nfs/dbraw/zinc/54/09/02/556540902.db2.gz AGYMHVRFEVGJGW-UHFFFAOYSA-N 0 0 437.503 5.212 40 0 IKABRN Cc1nn2c(nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1-c1cccc2ccccc21 ZINC000013635733 556541236 /nfs/dbraw/zinc/54/12/36/556541236.db2.gz GZQLZDFLSFZIMA-UHFFFAOYSA-N 0 0 441.922 5.775 40 0 IKABRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)SC2=Cc2ccccc2)cc1 ZINC000032594731 556542220 /nfs/dbraw/zinc/54/22/20/556542220.db2.gz WJXDYRWHIQNHOH-KDYMBEQYSA-O 0 0 440.548 5.453 40 0 IKABRN O=S(=O)(Cc1ccccc1Cl)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000013646042 556543664 /nfs/dbraw/zinc/54/36/64/556543664.db2.gz MBPNPWVILVFLNN-UHFFFAOYSA-N 0 0 438.401 6.228 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)cc1C ZINC000013667713 556548659 /nfs/dbraw/zinc/54/86/59/556548659.db2.gz RTOBZBSAYIAHGG-IBGZPJMESA-N 0 0 434.561 5.004 40 0 IKABRN Cc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C ZINC000013669339 556550143 /nfs/dbraw/zinc/55/01/43/556550143.db2.gz STQPJARWYFYGIK-HXUWFJFHSA-N 0 0 444.641 5.025 40 0 IKABRN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013669256 556550146 /nfs/dbraw/zinc/55/01/46/556550146.db2.gz WAJXQLXXDKKGQE-GOSISDBHSA-N 0 0 436.577 5.276 40 0 IKABRN O=C1S/C(=C\c2cc(Br)c(Br)o2)C(=O)N1Cc1ccccc1 ZINC000408955682 556559761 /nfs/dbraw/zinc/55/97/61/556559761.db2.gz YMKWSDBHNICFDA-GHXNOFRVSA-N 0 0 443.116 5.041 40 0 IKABRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000408961701 556565625 /nfs/dbraw/zinc/56/56/25/556565625.db2.gz USCOTDGLKHOWQZ-STZFKDTASA-N 0 0 437.952 5.433 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4cccc(F)c4)OC3=O)cc2)cc1 ZINC000015945710 556566868 /nfs/dbraw/zinc/56/68/68/556566868.db2.gz KUDVKLTUZFWRBY-HAHDFKILSA-N 0 0 443.474 5.687 40 0 IKABRN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000033902204 556569057 /nfs/dbraw/zinc/56/90/57/556569057.db2.gz QVLMCRFQGHWOPM-JWDLLYTKSA-N 0 0 439.640 7.163 40 0 IKABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 ZINC000015992288 556571740 /nfs/dbraw/zinc/57/17/40/556571740.db2.gz PFNOKJINZWSHMP-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000016008550 556573383 /nfs/dbraw/zinc/57/33/83/556573383.db2.gz GAPAPECDRFOMCW-UHFFFAOYSA-N 0 0 426.350 5.398 40 0 IKABRN COc1ccc(/C=C2\N=C(c3sc4cc(Cl)cc(Cl)c4c3Cl)OC2=O)cc1 ZINC000408969716 556580695 /nfs/dbraw/zinc/58/06/95/556580695.db2.gz SJMHKFQTNPSSJJ-MLPAPPSSSA-N 0 0 438.719 6.215 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(I)cc1 ZINC000070134254 556589320 /nfs/dbraw/zinc/58/93/20/556589320.db2.gz MAXZWNRQOAJXEP-UHFFFAOYSA-N 0 0 425.575 5.216 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000016194533 556589525 /nfs/dbraw/zinc/58/95/25/556589525.db2.gz LTHYJAHJHHUOIX-QPJJXVBHSA-N 0 0 425.743 5.908 40 0 IKABRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016195560 556590080 /nfs/dbraw/zinc/59/00/80/556590080.db2.gz PYASDSYRPSPBTE-UHFFFAOYSA-N 0 0 429.875 5.055 40 0 IKABRN COc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000016216970 556592116 /nfs/dbraw/zinc/59/21/16/556592116.db2.gz HPXJJBYSNCWVKQ-NDEPHWFRSA-N 0 0 449.510 5.811 40 0 IKABRN COc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(OC)cc5)o4)c3)o2)cc1 ZINC000016217519 556592156 /nfs/dbraw/zinc/59/21/56/556592156.db2.gz QQGRNICGFBIRNA-UHFFFAOYSA-N 0 0 426.432 5.138 40 0 IKABRN C[C@@H]1C(=O)[C@@H](C)[C@@H](c2cccc(Br)c2)N[C@H]1c1cccc(Br)c1 ZINC000036075331 556592656 /nfs/dbraw/zinc/59/26/56/556592656.db2.gz QLAGUGWBFPPFDV-GNTOHDJUSA-N 0 0 437.175 5.439 40 0 IKABRN Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1Sc1ccc(Cl)cc1 ZINC000016249280 556594466 /nfs/dbraw/zinc/59/44/66/556594466.db2.gz HBEIHISYHXXUIL-UHFFFAOYSA-N 0 0 440.793 7.777 40 0 IKABRN Cc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000016266655 556595624 /nfs/dbraw/zinc/59/56/24/556595624.db2.gz PEPOFAIRZLDGNB-UHFFFAOYSA-N 0 0 438.405 6.265 40 0 IKABRN Cc1cc(Br)c(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1C ZINC000016267963 556596045 /nfs/dbraw/zinc/59/60/45/556596045.db2.gz ATFSLDCMIZIAGR-UHFFFAOYSA-N 0 0 435.387 5.228 40 0 IKABRN Cc1cc(-c2ccccc2)c2cc(-c3ccc4nc(C)cc(-c5ccccc5)c4c3)ccc2n1 ZINC000016268852 556596230 /nfs/dbraw/zinc/59/62/30/556596230.db2.gz DSUYFWGLHXNTPF-UHFFFAOYSA-N 0 0 436.558 8.401 40 0 IKABRN Cc1cc(C)cc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000016269216 556596271 /nfs/dbraw/zinc/59/62/71/556596271.db2.gz CVVUBUPCWYPBJU-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN COc1ccc(NC(=O)c2sc(N3CCCCC3)nc2-c2ccc(C)cc2)c(OC)c1 ZINC000036293478 556596343 /nfs/dbraw/zinc/59/63/43/556596343.db2.gz VMKSLQHRFWKDTF-UHFFFAOYSA-N 0 0 437.565 5.378 40 0 IKABRN CC1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036293390 556596375 /nfs/dbraw/zinc/59/63/75/556596375.db2.gz VHWJZHXUTFMWJP-UHFFFAOYSA-N 0 0 434.920 5.203 40 0 IKABRN Cc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000016282446 556596788 /nfs/dbraw/zinc/59/67/88/556596788.db2.gz FNHNKYYMMHJCNI-UHFFFAOYSA-N 0 0 440.286 5.746 40 0 IKABRN Cc1cc2sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Cl ZINC000016284222 556596997 /nfs/dbraw/zinc/59/69/97/556596997.db2.gz HFWQXLILKDKBMJ-UHFFFAOYSA-N 0 0 437.735 7.077 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000016284378 556597214 /nfs/dbraw/zinc/59/72/14/556597214.db2.gz AXFVGSZOGAVCCP-UHFFFAOYSA-N 0 0 426.907 5.717 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000016284342 556597216 /nfs/dbraw/zinc/59/72/16/556597216.db2.gz IONLKHLZTMJOCP-DTQAZKPQSA-N 0 0 446.554 6.657 40 0 IKABRN COc1ccccc1/C=C1\N=C(c2sc3cc(Cl)cc(Cl)c3c2Cl)OC1=O ZINC000408971457 556598091 /nfs/dbraw/zinc/59/80/91/556598091.db2.gz ORQHUDHQKACKKN-SDQBBNPISA-N 0 0 438.719 6.215 40 0 IKABRN Cc1ccc(NC(=O)Nc2ncc3c(n2)C[C@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 ZINC000016293116 556598455 /nfs/dbraw/zinc/59/84/55/556598455.db2.gz KTKSZVDMRVUPCU-SFHVURJKSA-N 0 0 428.536 5.639 40 0 IKABRN COC(=O)c1ccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1 ZINC000408971766 556598648 /nfs/dbraw/zinc/59/86/48/556598648.db2.gz KXEWOJRMKWCHMU-ZSOIEALJSA-N 0 0 432.284 5.339 40 0 IKABRN c1ccc(S[C@@H]2CSc3nnc4c5ccccc5nc-4n3[C@H]2c2ccccc2)cc1 ZINC000036625784 556598855 /nfs/dbraw/zinc/59/88/55/556598855.db2.gz FLYYGIVWJQLZTJ-IRLDBZIGSA-N 0 0 426.570 5.787 40 0 IKABRN Cc1ccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1C ZINC000016312618 556599845 /nfs/dbraw/zinc/59/98/45/556599845.db2.gz ABKGCFPEAHYGKX-UHFFFAOYSA-N 0 0 436.515 5.516 40 0 IKABRN Cc1ccc(NC(=O)NC[C@@H]2C[C@@H](CNC(=O)Nc3ccc(C)c(C)c3)C2(C)C)cc1C ZINC000016312486 556599861 /nfs/dbraw/zinc/59/98/61/556599861.db2.gz RGFFSHQHUIVXTQ-SFTDATJTSA-N 0 0 436.600 5.526 40 0 IKABRN Cc1cccc(C(=O)N2CCC(CCCC3CCN(C(=O)c4cccc(C)c4)CC3)CC2)c1 ZINC000016349064 556602011 /nfs/dbraw/zinc/60/20/11/556602011.db2.gz YGLDXFXVCNDOHO-UHFFFAOYSA-N 0 0 446.635 5.878 40 0 IKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)oc2c1 ZINC000016348565 556602100 /nfs/dbraw/zinc/60/21/00/556602100.db2.gz WLIARWRFCDBCKP-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)[C@H](O)[C@]3(C)CC[C@H]21 ZINC000071782836 556604848 /nfs/dbraw/zinc/60/48/48/556604848.db2.gz IBNFQZMCZXLXIE-GLYIJJEGSA-N 0 0 448.651 6.290 40 0 IKABRN O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)Nc1cccc(Cl)c1 ZINC000016398942 556605094 /nfs/dbraw/zinc/60/50/94/556605094.db2.gz XBWLAVHBEWJVOC-UHFFFAOYSA-N 0 0 444.387 6.060 40 0 IKABRN O=C(CSCCCCSCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016400721 556605805 /nfs/dbraw/zinc/60/58/05/556605805.db2.gz WHAQQGDNTSTVBX-UHFFFAOYSA-N 0 0 427.418 6.306 40 0 IKABRN Nc1ccc2oc(-c3ccc(Oc4ccc(-c5nc6cc(N)ccc6o5)cc4)cc3)nc2c1 ZINC000016429703 556607297 /nfs/dbraw/zinc/60/72/97/556607297.db2.gz GUWQNAVEILPHRC-UHFFFAOYSA-N 0 0 434.455 6.260 40 0 IKABRN O=C(CCC1CCCCC1)Nc1cccc2c(NC(=O)CCC3CCCCC3)cccc12 ZINC000016431581 556607485 /nfs/dbraw/zinc/60/74/85/556607485.db2.gz JFJSSMKPHMRLHU-UHFFFAOYSA-N 0 0 434.624 7.438 40 0 IKABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2ccccc2Cl)C1)Nc1ccccc1Cl ZINC000016450356 556609464 /nfs/dbraw/zinc/60/94/64/556609464.db2.gz KCCFPAJBOLQVHE-HZPDHXFCSA-N 0 0 449.382 5.743 40 0 IKABRN O=C(CC(=CC(=C1SC(=S)NC1=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000016450678 556609511 /nfs/dbraw/zinc/60/95/11/556609511.db2.gz WSCRQIBQPBNSNX-OJSQUZCYSA-N 0 0 441.577 6.743 40 0 IKABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccccc2Cl)C1)Nc1ccccc1Cl ZINC000016450362 556609541 /nfs/dbraw/zinc/60/95/41/556609541.db2.gz KCCFPAJBOLQVHE-HOTGVXAUSA-N 0 0 449.382 5.743 40 0 IKABRN O=C(Nc1ccccc1N1CCCCC1)c1cc(I)ccc1Cl ZINC000016450392 556609544 /nfs/dbraw/zinc/60/95/44/556609544.db2.gz CDDZNUQXYPDOBS-UHFFFAOYSA-N 0 0 440.712 5.187 40 0 IKABRN N=C1S[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000016478196 556610913 /nfs/dbraw/zinc/61/09/13/556610913.db2.gz MREHBNKRCIYRIK-FPOVZHCZSA-N 0 0 437.362 5.930 40 0 IKABRN O=C(c1noc(-c2cccc3ccccc32)c1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000016476894 556610950 /nfs/dbraw/zinc/61/09/50/556610950.db2.gz GCDITZFILDLOCJ-UHFFFAOYSA-N 0 0 439.492 5.559 40 0 IKABRN c1ccc(CC2(Cc3ccccc3)OC[C@H](Cn3c4ccccc4c4ccccc43)O2)cc1 ZINC000016478812 556611210 /nfs/dbraw/zinc/61/12/10/556611210.db2.gz UDSYRVMIARHTTK-VWLOTQADSA-N 0 0 433.551 6.392 40 0 IKABRN c1ccc(CC2=Cc3c(ccc4ccccc43)O[C@@]23C=Cc2c(ccc4ccccc42)O3)cc1 ZINC000016478818 556611253 /nfs/dbraw/zinc/61/12/53/556611253.db2.gz ZNGAHICLJRUUIT-YTTGMZPUSA-N 0 0 438.526 7.814 40 0 IKABRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(OCc2ccccc2)c1 ZINC000016480687 556611364 /nfs/dbraw/zinc/61/13/64/556611364.db2.gz KFRTWUTXMZMPBF-UHFFFAOYSA-N 0 0 445.588 5.383 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)/C=C/CC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000077286603 556611844 /nfs/dbraw/zinc/61/18/44/556611844.db2.gz CJUZRVVXJPNXNH-IVNKROKLSA-N 0 0 426.685 7.736 40 0 IKABRN O=C(Nc1ccccc1)N1CCC(CCCC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000016489382 556612038 /nfs/dbraw/zinc/61/20/38/556612038.db2.gz FLDALBPIHQBCII-UHFFFAOYSA-N 0 0 448.611 6.045 40 0 IKABRN O=C(Nc1cccc(Br)c1)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408973512 556612063 /nfs/dbraw/zinc/61/20/63/556612063.db2.gz SWVXDDDYSABFHL-UHFFFAOYSA-N 0 0 435.557 6.876 40 0 IKABRN O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2c(Cl)cccc2Cl)C1 ZINC000016488736 556612069 /nfs/dbraw/zinc/61/20/69/556612069.db2.gz SIGDPCABXDNEFD-OAQYLSRUSA-N 0 0 435.310 6.456 40 0 IKABRN O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)Nc1ccccc1F ZINC000016492000 556612565 /nfs/dbraw/zinc/61/25/65/556612565.db2.gz SCMDUIZNOAHEIF-UHFFFAOYSA-N 0 0 434.474 6.747 40 0 IKABRN O=C(c1noc(-c2cccs2)c1S(=O)(=O)c1ccccc1)c1ccc2ccccc2c1 ZINC000016491578 556612579 /nfs/dbraw/zinc/61/25/79/556612579.db2.gz GMURKBNOLGEDRC-UHFFFAOYSA-N 0 0 445.521 5.620 40 0 IKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc4ccccc43)o2)c1 ZINC000038536798 556613699 /nfs/dbraw/zinc/61/36/99/556613699.db2.gz PYRBHMRBMQUEFS-UHFFFAOYSA-N 0 0 447.560 5.964 40 0 IKABRN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(Br)ccc1Cl ZINC000016525151 556614076 /nfs/dbraw/zinc/61/40/76/556614076.db2.gz PICHURUKYNJRIP-UHFFFAOYSA-N 0 0 426.701 5.898 40 0 IKABRN CCc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000100946029 556615090 /nfs/dbraw/zinc/61/50/90/556615090.db2.gz SDKLWRWAVXGWGH-PFBJBMPXSA-N 0 0 448.522 5.453 40 0 IKABRN Cc1ccccc1[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 ZINC000038752224 556615769 /nfs/dbraw/zinc/61/57/69/556615769.db2.gz YYKZFPMSYHELJM-HSZRJFAPSA-N 0 0 440.406 5.897 40 0 IKABRN C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000038753410 556616386 /nfs/dbraw/zinc/61/63/86/556616386.db2.gz NZGBBLVAWNMDIC-KRWDZBQOSA-N 0 0 435.951 6.275 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000038753657 556616391 /nfs/dbraw/zinc/61/63/91/556616391.db2.gz FOBMACKHLOENRW-UHFFFAOYSA-N 0 0 440.590 5.017 40 0 IKABRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000038754037 556616761 /nfs/dbraw/zinc/61/67/61/556616761.db2.gz MRAXKQJITHVKSU-GOSISDBHSA-N 0 0 441.549 5.316 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2C)cc1 ZINC000038754937 556617266 /nfs/dbraw/zinc/61/72/66/556617266.db2.gz ISDUKMCVLKZWJN-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN C[C@H]1CN(C(=S)Nc2ccc(Cl)cc2)CCN1C(=S)Nc1ccc(Cl)cc1 ZINC000016609620 556617341 /nfs/dbraw/zinc/61/73/41/556617341.db2.gz FOHGQFNISHKTEX-ZDUSSCGKSA-N 0 0 439.437 5.093 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cc(NC(=O)COc4ccccc4C)ccc3Cl)nc2c1 ZINC000016610587 556617519 /nfs/dbraw/zinc/61/75/19/556617519.db2.gz MWPISIPTLPTHJY-INIZCTEOSA-N 0 0 448.950 6.988 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nc2c1 ZINC000016610668 556617579 /nfs/dbraw/zinc/61/75/79/556617579.db2.gz HHMWPKWUEHWAEJ-RKCSUWQLSA-N 0 0 430.935 7.314 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)nc2c1 ZINC000016610716 556617602 /nfs/dbraw/zinc/61/76/02/556617602.db2.gz LEOUKFHSHDTINE-LJQANCHMSA-N 0 0 442.559 7.149 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)c(C)c4)c3)nc2c1 ZINC000016610706 556617635 /nfs/dbraw/zinc/61/76/35/556617635.db2.gz GWIITDJOPKEIAB-MRXNPFEDSA-N 0 0 448.950 6.988 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nc2c1 ZINC000016610860 556617775 /nfs/dbraw/zinc/61/77/75/556617775.db2.gz CJGHOSWXIGOZHK-ZDUSSCGKSA-N 0 0 439.309 6.616 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4C)c3)nc2c1 ZINC000016610729 556617804 /nfs/dbraw/zinc/61/78/04/556617804.db2.gz LZMXQWAPVGBTGR-SFHVURJKSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1 ZINC000016610891 556617818 /nfs/dbraw/zinc/61/78/18/556617818.db2.gz MOMYWCZATVTTRB-RTBURBONSA-N 0 0 442.559 7.438 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nc2c1 ZINC000016610847 556617845 /nfs/dbraw/zinc/61/78/45/556617845.db2.gz DQEUDPNEVHMJFZ-FQEVSTJZSA-N 0 0 446.550 7.928 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 ZINC000016610882 556617866 /nfs/dbraw/zinc/61/78/66/556617866.db2.gz JHQXSZHMEHCGAI-GOSISDBHSA-N 0 0 428.532 7.048 40 0 IKABRN CC[C@@H](CCNC(=S)Nc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1 ZINC000016611325 556618099 /nfs/dbraw/zinc/61/80/99/556618099.db2.gz OEHAPEHRQXUBBU-HNNXBMFYSA-N 0 0 441.453 5.435 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4C)c3)nc2c1 ZINC000016611248 556618119 /nfs/dbraw/zinc/61/81/19/556618119.db2.gz CGUVAYHZBXJAJE-INIZCTEOSA-N 0 0 443.572 6.444 40 0 IKABRN CC[C@H](CCNC(=S)Nc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1 ZINC000016611327 556618156 /nfs/dbraw/zinc/61/81/56/556618156.db2.gz OEHAPEHRQXUBBU-OAHLLOKOSA-N 0 0 441.453 5.435 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000038756594 556618211 /nfs/dbraw/zinc/61/82/11/556618211.db2.gz QYGLIJGKMSAIME-UHFFFAOYSA-N 0 0 440.590 5.469 40 0 IKABRN CCc1ccc(OCC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)c(Br)c1 ZINC000038756608 556618264 /nfs/dbraw/zinc/61/82/64/556618264.db2.gz ALNVBDHADZTULH-FQEVSTJZSA-N 0 0 434.374 5.303 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 ZINC000016637043 556618828 /nfs/dbraw/zinc/61/88/28/556618828.db2.gz KXTVUWQZISFCES-VMPITWQZSA-N 0 0 441.742 6.046 40 0 IKABRN CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000038771119 556618826 /nfs/dbraw/zinc/61/88/26/556618826.db2.gz VAOYCIYHPAAUGL-UHFFFAOYSA-N 0 0 446.981 5.423 40 0 IKABRN COCc1nn2c(ncc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1cccc(Cl)c1 ZINC000038829811 556621222 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O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038835513 556623115 /nfs/dbraw/zinc/62/31/15/556623115.db2.gz GFVODJAQSLQWHM-UHFFFAOYSA-N 0 0 432.178 6.151 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038835028 556623120 /nfs/dbraw/zinc/62/31/20/556623120.db2.gz PMAQKRMKEDIMNW-UHFFFAOYSA-N 0 0 432.178 6.151 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038835027 556623150 /nfs/dbraw/zinc/62/31/50/556623150.db2.gz QIARZTJCXVOEGL-UHFFFAOYSA-N 0 0 432.178 6.151 40 0 IKABRN CCN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2Cl)CC1 ZINC000016681526 556623767 /nfs/dbraw/zinc/62/37/67/556623767.db2.gz MSPNOBFUUNZZPX-UHFFFAOYSA-N 0 0 434.392 5.602 40 0 IKABRN COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000038850236 556624478 /nfs/dbraw/zinc/62/44/78/556624478.db2.gz BYHPDHPBADCPKH-UHFFFAOYSA-N 0 0 427.759 5.506 40 0 IKABRN O=C(C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000038850892 556624657 /nfs/dbraw/zinc/62/46/57/556624657.db2.gz 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556626968 /nfs/dbraw/zinc/62/69/68/556626968.db2.gz PQQLWVSOYDYZRS-UHFFFAOYSA-N 0 0 443.902 5.445 40 0 IKABRN COc1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 ZINC000408976276 556626970 /nfs/dbraw/zinc/62/69/70/556626970.db2.gz FDBDWQBRZFIWOT-UHFFFAOYSA-N 0 0 433.471 5.015 40 0 IKABRN Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccccc2C(C)C)c2ccccc2)cc1 ZINC000408976238 556627023 /nfs/dbraw/zinc/62/70/23/556627023.db2.gz ABRLEASONOJYDR-XMMPIXPASA-N 0 0 436.577 5.167 40 0 IKABRN O=C(NCc1ccccc1)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408976671 556629746 /nfs/dbraw/zinc/62/97/46/556629746.db2.gz BPXHYUMJWAUDMR-UHFFFAOYSA-N 0 0 442.569 6.409 40 0 IKABRN CC1CCN(C(=O)Nc2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)CC1 ZINC000408977395 556630015 /nfs/dbraw/zinc/63/00/15/556630015.db2.gz DCYONCNHDADLJS-UHFFFAOYSA-N 0 0 434.590 6.351 40 0 IKABRN CN(C(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)c1ccccc1 ZINC000408977389 556630059 /nfs/dbraw/zinc/63/00/59/556630059.db2.gz IPNUQNBUAUPSCF-UHFFFAOYSA-N 0 0 432.487 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556636156 /nfs/dbraw/zinc/63/61/56/556636156.db2.gz CGFPPOVNWMYEHQ-UHFFFAOYSA-N 0 0 439.906 5.089 40 0 IKABRN CCc1nn2c(nnc3c2ccn(CCC2=CCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395899 556638524 /nfs/dbraw/zinc/63/85/24/556638524.db2.gz WKRJCPGBTOVAQV-UHFFFAOYSA-N 0 0 433.943 5.213 40 0 IKABRN CCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395909 556638539 /nfs/dbraw/zinc/63/85/39/556638539.db2.gz JEKXOKWIBQTQDH-ZRGWGRIASA-N 0 0 435.959 5.319 40 0 IKABRN Cc1nn2c(ncc3c2ccn(CCc2c[nH]c4ccc(C)cc24)c3=O)c1-c1ccccc1 ZINC000040396293 556639106 /nfs/dbraw/zinc/63/91/06/556639106.db2.gz ASJIOBYWBAKYTI-UHFFFAOYSA-N 0 0 433.515 5.052 40 0 IKABRN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@@H](C)CC(C)=O)cc1 ZINC000016757532 556639210 /nfs/dbraw/zinc/63/92/10/556639210.db2.gz TVRFUZGDAPTMTF-SFHVURJKSA-N 0 0 431.561 5.946 40 0 IKABRN C[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)c1ccccc1 ZINC000016757859 556639435 /nfs/dbraw/zinc/63/94/35/556639435.db2.gz HTUDZTFPVVNFNX-GOSISDBHSA-N 0 0 441.987 7.594 40 0 IKABRN CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)C(=O)OC ZINC000016757869 556639449 /nfs/dbraw/zinc/63/94/49/556639449.db2.gz RURMAIDMVFLLSP-LJQANCHMSA-N 0 0 437.952 5.785 40 0 IKABRN Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 ZINC000016757843 556639519 /nfs/dbraw/zinc/63/95/19/556639519.db2.gz WTFZLHYXQROBRQ-UHFFFAOYSA-N 0 0 441.987 7.342 40 0 IKABRN CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757851 556639549 /nfs/dbraw/zinc/63/95/49/556639549.db2.gz XJCKPCUUDSJSBH-HNNXBMFYSA-N 0 0 437.952 5.785 40 0 IKABRN CCc1nn2c(ncc3c2ccn(Cc2ccc(C)cc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397425 556639553 /nfs/dbraw/zinc/63/95/53/556639553.db2.gz HRVZPXCDRIOZBY-UHFFFAOYSA-N 0 0 428.923 5.284 40 0 IKABRN C[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)c1ccccc1 ZINC000016757761 556639582 /nfs/dbraw/zinc/63/95/82/556639582.db2.gz HHLMFFQGUROXGY-SFHVURJKSA-N 0 0 441.987 7.594 40 0 IKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccccc2Cl)c1 ZINC000016757649 556639610 /nfs/dbraw/zinc/63/96/10/556639610.db2.gz HLXQUYUZPXDNFL-UHFFFAOYSA-N 0 0 441.987 7.342 40 0 IKABRN Cc1nn2c(ncc3c2ccn(Cc2ccccc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397597 556639680 /nfs/dbraw/zinc/63/96/80/556639680.db2.gz UNUXKDUUKGTKAC-UHFFFAOYSA-N 0 0 435.314 5.375 40 0 IKABRN Fc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 ZINC000016757911 556639715 /nfs/dbraw/zinc/63/97/15/556639715.db2.gz SYYVPQORPWWNEQ-UHFFFAOYSA-N 0 0 445.950 7.172 40 0 IKABRN COCc1nn2c(ncc3c2ccn([C@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397793 556639741 /nfs/dbraw/zinc/63/97/41/556639741.db2.gz IVMODVLVMXADID-YWZLYKJASA-N 0 0 436.943 5.262 40 0 IKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N(Cc2ccccc2)C(C)C)c1 ZINC000016768317 556640059 /nfs/dbraw/zinc/64/00/59/556640059.db2.gz ZRJBRYWIENSKIR-UHFFFAOYSA-N 0 0 432.571 6.811 40 0 IKABRN CSc1ccc(C(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)cc1 ZINC000016768751 556640126 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IKABRN Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000016789085 556642207 /nfs/dbraw/zinc/64/22/07/556642207.db2.gz SLCMCOQPPBAWTC-UHFFFAOYSA-N 0 0 436.625 5.808 40 0 IKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccccc2)cc1 ZINC000016789316 556642213 /nfs/dbraw/zinc/64/22/13/556642213.db2.gz AKVVBMGSTWZUBD-UHFFFAOYSA-N 0 0 448.523 5.025 40 0 IKABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000101012093 556643305 /nfs/dbraw/zinc/64/33/05/556643305.db2.gz LIEWMCGEEMYSGL-ZRBLBEILSA-N 0 0 432.907 5.008 40 0 IKABRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000101027538 556644318 /nfs/dbraw/zinc/64/43/18/556644318.db2.gz VFLVERBIEIQBPN-HKBOAZHASA-N 0 0 439.298 5.045 40 0 IKABRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000101027536 556644405 /nfs/dbraw/zinc/64/44/05/556644405.db2.gz VFLVERBIEIQBPN-NJYVYQBISA-N 0 0 439.298 5.045 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000040556522 556644675 /nfs/dbraw/zinc/64/46/75/556644675.db2.gz HQRXMHDGSSBCNK-UHFFFAOYSA-N 0 0 437.805 5.638 40 0 IKABRN O=C1OC(c2ccccc2)=N/C1=C\c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 ZINC000016940706 556649275 /nfs/dbraw/zinc/64/92/75/556649275.db2.gz IXUADUJVACNDMV-NMWGTECJSA-N 0 0 430.507 6.113 40 0 IKABRN O=C(N/C(=C/c1ccc(Br)cc1)c1nc2ccccc2s1)c1ccccc1 ZINC000016953121 556650182 /nfs/dbraw/zinc/65/01/82/556650182.db2.gz RQMTUTZPMIGREJ-XMHGGMMESA-N 0 0 435.346 5.987 40 0 IKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000040943655 556652310 /nfs/dbraw/zinc/65/23/10/556652310.db2.gz CRBIQDUYCMQHQV-UHFFFAOYSA-N 0 0 443.046 5.792 40 0 IKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000041019102 556652402 /nfs/dbraw/zinc/65/24/02/556652402.db2.gz JGYMTAFLISNGFX-UHFFFAOYSA-N 0 0 429.225 6.239 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000041019108 556652437 /nfs/dbraw/zinc/65/24/37/556652437.db2.gz ZUSHFZOUXFMTDO-UHFFFAOYSA-N 0 0 426.900 5.523 40 0 IKABRN CN(C(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)c1ccccc1 ZINC000408981963 556657182 /nfs/dbraw/zinc/65/71/82/556657182.db2.gz WUPZVYRZMNDHSS-UHFFFAOYSA-N 0 0 442.569 6.755 40 0 IKABRN O=C1OC(c2ccccc2Cl)=N/C1=C\c1c(OCc2ccccc2)ccc2ccccc21 ZINC000017086146 556657501 /nfs/dbraw/zinc/65/75/01/556657501.db2.gz SZGRTLXPYAWDEM-JLPGSUDCSA-N 0 0 439.898 6.417 40 0 IKABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccccc2)cc(-c2nc3ccccc3o2)c1O ZINC000017096503 556660237 /nfs/dbraw/zinc/66/02/37/556660237.db2.gz LWNAALNADKAZHV-VAWYXSNFSA-N 0 0 429.501 5.035 40 0 IKABRN CCCCc1ccc(-n2nc3ccc(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1 ZINC000017096968 556660739 /nfs/dbraw/zinc/66/07/39/556660739.db2.gz SOTHKXXTMKENEH-UHFFFAOYSA-N 0 0 430.508 5.033 40 0 IKABRN Cc1cc(NC(=O)COc2cccc3ccccc32)c(C)cc1I ZINC000017097351 556661509 /nfs/dbraw/zinc/66/15/09/556661509.db2.gz LDIRRYJAMHVNSK-UHFFFAOYSA-N 0 0 431.273 5.079 40 0 IKABRN CC[C@@H](C)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc([C@@H](C)CC)cc3)n2)cc1 ZINC000013987182 556661827 /nfs/dbraw/zinc/66/18/27/556661827.db2.gz QITZFBWGQLGXPS-KDURUIRLSA-N 0 0 429.564 6.613 40 0 IKABRN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1sc2ccccc2c1Cl ZINC000017098210 556662765 /nfs/dbraw/zinc/66/27/65/556662765.db2.gz NAFOLQBAWPNTTJ-UHFFFAOYSA-N 0 0 432.888 5.608 40 0 IKABRN CCCOc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000017100303 556665458 /nfs/dbraw/zinc/66/54/58/556665458.db2.gz DNAIECCUDXQMRL-UHFFFAOYSA-N 0 0 436.515 5.923 40 0 IKABRN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc(-c2nc3ccccc3o2)c1O ZINC000017101755 556666261 /nfs/dbraw/zinc/66/62/61/556666261.db2.gz GYSYNYMASPOJIK-UHFFFAOYSA-N 0 0 437.908 5.289 40 0 IKABRN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000017102762 556667016 /nfs/dbraw/zinc/66/70/16/556667016.db2.gz LBXQEYORMGDLMR-UHFFFAOYSA-N 0 0 438.739 6.096 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3ccc(F)cc3)c2)cc1 ZINC000044840547 556668318 /nfs/dbraw/zinc/66/83/18/556668318.db2.gz DTLRRMMCCGSKNG-UHFFFAOYSA-N 0 0 425.525 5.296 40 0 IKABRN CCOC(=O)c1c(NC(=O)CCc2ccc(OCC)c(OCC)c2)sc2c1CCCC2 ZINC000044843246 556668831 /nfs/dbraw/zinc/66/88/31/556668831.db2.gz NVUMVRBBXRAMNW-UHFFFAOYSA-N 0 0 445.581 5.172 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000044843822 556669083 /nfs/dbraw/zinc/66/90/83/556669083.db2.gz GWGJQVKTIOXOOJ-UHFFFAOYSA-N 0 0 426.563 5.160 40 0 IKABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000044844377 556669193 /nfs/dbraw/zinc/66/91/93/556669193.db2.gz AUARUZZMMQWDNJ-UHFFFAOYSA-N 0 0 449.359 5.284 40 0 IKABRN CCCC[C@@H](CC)CN(C[C@@H](CC)CCCC)C(=O)[C@@H](C)OC(=O)[C@@H](CC)CCCC ZINC000017146185 556669910 /nfs/dbraw/zinc/66/99/10/556669910.db2.gz IMSODBOSRXBZSK-NGSHPTGOSA-N 0 0 439.725 7.396 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)c1C ZINC000044849404 556670178 /nfs/dbraw/zinc/67/01/78/556670178.db2.gz MMXXTJQTRAKXHS-SFHVURJKSA-N 0 0 440.540 5.043 40 0 IKABRN CCSc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000044849148 556670261 /nfs/dbraw/zinc/67/02/61/556670261.db2.gz PEXPKXVYBYUVHH-UHFFFAOYSA-N 0 0 446.981 5.505 40 0 IKABRN CCCCC[C@@H](CCC)COC(=O)c1ccccc1C(=O)OC[C@@H](CCC)CCCCC ZINC000017147808 556670297 /nfs/dbraw/zinc/67/02/97/556670297.db2.gz MTYUOIVEVPTXFX-PSWAGMNNSA-N 0 0 446.672 7.993 40 0 in-vitro IKABRN Cc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044852881 556671122 /nfs/dbraw/zinc/67/11/22/556671122.db2.gz SVHYNMZSRORHPT-KRWDZBQOSA-N 0 0 435.395 5.098 40 0 IKABRN Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3c(F)cccc3Cl)CC1)CC(C)(C)O2 ZINC000044855248 556671319 /nfs/dbraw/zinc/67/13/19/556671319.db2.gz UIZCETYSAHVXGJ-QFIPXVFZSA-N 0 0 444.978 5.418 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1C ZINC000044856678 556672227 /nfs/dbraw/zinc/67/22/27/556672227.db2.gz GERMOBCUGQRWNX-HSZRJFAPSA-N 0 0 433.423 6.090 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)c(C)c1 ZINC000044856518 556672264 /nfs/dbraw/zinc/67/22/64/556672264.db2.gz IOCGAGAIPYBIBX-HSZRJFAPSA-N 0 0 433.423 6.090 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1C ZINC000044856676 556672297 /nfs/dbraw/zinc/67/22/97/556672297.db2.gz YOQXJGRMEPEVPE-HSZRJFAPSA-N 0 0 433.423 6.090 40 0 IKABRN Brc1ccc([C@H]2CC(c3cccc4ccccc43)=Nc3ccccc3S2)cc1 ZINC000017211138 556673335 /nfs/dbraw/zinc/67/33/35/556673335.db2.gz BYPDBBMFPDCYQN-RUZDIDTESA-N 0 0 444.397 7.960 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000044880891 556674411 /nfs/dbraw/zinc/67/44/11/556674411.db2.gz SLQBZMJIJRYSDA-UHFFFAOYSA-N 0 0 426.513 5.176 40 0 IKABRN CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044882619 556674451 /nfs/dbraw/zinc/67/44/51/556674451.db2.gz UQDQDWUAWOBFHG-UHFFFAOYSA-N 0 0 435.395 5.309 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000044883756 556674789 /nfs/dbraw/zinc/67/47/89/556674789.db2.gz UOIOLBISKMCNCV-MHZLTWQESA-N 0 0 442.603 6.165 40 0 IKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000044884572 556675041 /nfs/dbraw/zinc/67/50/41/556675041.db2.gz VMHLSSXTESAJIZ-NRFANRHFSA-N 0 0 444.383 6.734 40 0 IKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000044885269 556675230 /nfs/dbraw/zinc/67/52/30/556675230.db2.gz RHPFMCKNRBJZBD-AREMUKBSSA-N 0 0 443.518 6.032 40 0 IKABRN CCOC(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)ccc1Cl ZINC000044885221 556675265 /nfs/dbraw/zinc/67/52/65/556675265.db2.gz GHGJECKVCFIVLL-UHFFFAOYSA-N 0 0 444.314 6.001 40 0 IKABRN CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000044885912 556675544 /nfs/dbraw/zinc/67/55/44/556675544.db2.gz DGQYWBREWWFOOL-UHFFFAOYSA-N 0 0 432.954 5.115 40 0 IKABRN COc1ccc(CN(C)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC ZINC000044885900 556675601 /nfs/dbraw/zinc/67/56/01/556675601.db2.gz ADTSVEREVPNRQO-UHFFFAOYSA-N 0 0 441.980 5.922 40 0 IKABRN CC(C)Oc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000044886069 556675632 /nfs/dbraw/zinc/67/56/32/556675632.db2.gz ZCONLVZOZGPANF-UHFFFAOYSA-N 0 0 444.940 5.180 40 0 IKABRN CC/C(=C(\CC)c1ccc(O[C@H]2C=CCCC2)cc1)c1ccc(O[C@H]2C=CCCC2)cc1 ZINC000017328643 556675626 /nfs/dbraw/zinc/67/56/26/556675626.db2.gz TTXGLJCLKHXJLQ-OVLZQZKCSA-N 0 0 428.616 8.392 40 0 IKABRN COc1cc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)ccc1OC(C)C ZINC000044899938 556676651 /nfs/dbraw/zinc/67/66/51/556676651.db2.gz PFZLLWPWXDDETA-UHFFFAOYSA-N 0 0 444.575 5.365 40 0 IKABRN CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)ccc1Cl ZINC000044899960 556676921 /nfs/dbraw/zinc/67/69/21/556676921.db2.gz ZUZDHPMUISDZFE-UHFFFAOYSA-N 0 0 434.923 5.332 40 0 IKABRN CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccc(C)cc1 ZINC000044900710 556677468 /nfs/dbraw/zinc/67/74/68/556677468.db2.gz JCLATZSTOAEXAI-JOCHJYFZSA-N 0 0 442.968 5.330 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000044901322 556677683 /nfs/dbraw/zinc/67/76/83/556677683.db2.gz VBPCELGCBQWAMO-UHFFFAOYSA-N 0 0 449.359 5.033 40 0 IKABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 ZINC000044900959 556677694 /nfs/dbraw/zinc/67/76/94/556677694.db2.gz RVLMXUBLJWXNBP-UHFFFAOYSA-N 0 0 434.923 5.332 40 0 IKABRN COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC ZINC000044901626 556678053 /nfs/dbraw/zinc/67/80/53/556678053.db2.gz UABBAWQQANUAMB-MHWRWJLKSA-N 0 0 443.543 5.884 40 0 IKABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000044902798 556678689 /nfs/dbraw/zinc/67/86/89/556678689.db2.gz IXYFMYXIIAJZKP-UHFFFAOYSA-N 0 0 434.561 5.250 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)[C@H]3COc4ccccc4O3)c2)cc1 ZINC000044904076 556679189 /nfs/dbraw/zinc/67/91/89/556679189.db2.gz ZMLVKSBRBJZHLO-HSZRJFAPSA-N 0 0 430.504 5.015 40 0 IKABRN O=C(NCCCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044906255 556679773 /nfs/dbraw/zinc/67/97/73/556679773.db2.gz GVYFIGDKVDOWFT-UHFFFAOYSA-N 0 0 439.814 5.608 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000044912122 556680983 /nfs/dbraw/zinc/68/09/83/556680983.db2.gz AXPBWCJFCHLKPE-UHFFFAOYSA-N 0 0 449.378 5.329 40 0 IKABRN CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044911885 556681029 /nfs/dbraw/zinc/68/10/29/556681029.db2.gz SZNJAYIBPOWZPA-UHFFFAOYSA-N 0 0 449.378 5.329 40 0 IKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000044915838 556681257 /nfs/dbraw/zinc/68/12/57/556681257.db2.gz URVYDMRFVUPNDN-UHFFFAOYSA-N 0 0 432.951 5.422 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936331 556682613 /nfs/dbraw/zinc/68/26/13/556682613.db2.gz VMGMNGNKCGZGIA-JOCHJYFZSA-N 0 0 435.395 5.482 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936329 556682641 /nfs/dbraw/zinc/68/26/41/556682641.db2.gz VMGMNGNKCGZGIA-QFIPXVFZSA-N 0 0 435.395 5.482 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936318 556682674 /nfs/dbraw/zinc/68/26/74/556682674.db2.gz KKLHAAKBQFXNPA-JOCHJYFZSA-N 0 0 435.395 5.482 40 0 IKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000044947930 556683807 /nfs/dbraw/zinc/68/38/07/556683807.db2.gz QUZNLEXTUZJDPQ-HXUWFJFHSA-N 0 0 426.409 5.817 40 0 IKABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000044948329 556683881 /nfs/dbraw/zinc/68/38/81/556683881.db2.gz FTOJZVKYTPINII-UHFFFAOYSA-N 0 0 435.545 5.595 40 0 IKABRN CCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000044949224 556684025 /nfs/dbraw/zinc/68/40/25/556684025.db2.gz PGZRGHFJXOQYJN-UHFFFAOYSA-N 0 0 428.941 5.264 40 0 IKABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(Cl)c1 ZINC000044948948 556684050 /nfs/dbraw/zinc/68/40/50/556684050.db2.gz UXLJMGBGIZZYRO-UHFFFAOYSA-N 0 0 431.897 5.110 40 0 IKABRN Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(F)cc2Br)o1 ZINC000226769555 556685426 /nfs/dbraw/zinc/68/54/26/556685426.db2.gz ZOOKBMGFXONASM-UHFFFAOYSA-N 0 0 426.241 5.612 40 0 IKABRN Cc1nc2ccccn2c1-c1nnc2sc(C(C)(c3ccccc3)c3ccccc3)nn21 ZINC000227143360 556685690 /nfs/dbraw/zinc/68/56/90/556685690.db2.gz JVQYTHIWEFYJQL-UHFFFAOYSA-N 0 0 436.544 5.163 40 0 IKABRN CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(C)cc3)N2[C@H]1c1ccccc1OCC ZINC000408985783 556687598 /nfs/dbraw/zinc/68/75/98/556687598.db2.gz AWTCQXWBUVOIJG-QHCPKHFHSA-N 0 0 434.561 5.689 40 0 IKABRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1OCc1ccccc1 ZINC000408985791 556687729 /nfs/dbraw/zinc/68/77/29/556687729.db2.gz AYFJDXOQAKAFTJ-UHFFFAOYSA-N 0 0 432.545 5.920 40 0 IKABRN Cc1cc(C)c(CSC2=N[C@@H](c3cccc(Cl)c3Cl)C(C(N)=O)=C(C)N2)c(C)c1 ZINC000408987191 556689029 /nfs/dbraw/zinc/68/90/29/556689029.db2.gz DZWZUXCGNBZPSQ-FQEVSTJZSA-N 0 0 448.419 5.612 40 0 IKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000169744795 556689313 /nfs/dbraw/zinc/68/93/13/556689313.db2.gz VGSSUFQMXBFFTM-PSODCZNOSA-N 0 0 448.732 6.190 40 0 IKABRN Cc1ccc2c(c1)C(c1ccccc1)=NCCC(=O)N2Cc1ccc(Br)cc1 ZINC000018322696 556689418 /nfs/dbraw/zinc/68/94/18/556689418.db2.gz LZBYNPLYGPSZBC-UHFFFAOYSA-N 0 0 433.349 5.532 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1cccc(Cl)c1 ZINC000000676492 556690581 /nfs/dbraw/zinc/69/05/81/556690581.db2.gz DYMJZSIPSPIDIO-UHFFFAOYSA-N 0 0 446.887 5.140 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccc(Cl)cc1 ZINC000000778384 556692914 /nfs/dbraw/zinc/69/29/14/556692914.db2.gz VSAQAPMMNGQCJP-UHFFFAOYSA-N 0 0 442.924 5.310 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)C1CCCCC1 ZINC000000778415 556693184 /nfs/dbraw/zinc/69/31/84/556693184.db2.gz NVSGCXWPNKUWRJ-UHFFFAOYSA-N 0 0 434.945 5.268 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1ccccc1C ZINC000000778418 556693215 /nfs/dbraw/zinc/69/32/15/556693215.db2.gz HDYBREXGVQKBRL-UHFFFAOYSA-N 0 0 442.924 5.310 40 0 IKABRN CCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=N[C@H]1c1ccccc1OCC ZINC000408987991 556693477 /nfs/dbraw/zinc/69/34/77/556693477.db2.gz GOGDQHRNLVLTDY-NRFANRHFSA-N 0 0 444.984 5.510 40 0 IKABRN O=C(CSc1nnc(-c2ccccc2F)o1)N1c2ccccc2Sc2ccccc21 ZINC000000780982 556693933 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556741672 /nfs/dbraw/zinc/74/16/72/556741672.db2.gz YXXDKMPDYUBWLR-UHFFFAOYSA-N 0 0 449.967 5.330 40 0 IKABRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000000900773 556741688 /nfs/dbraw/zinc/74/16/88/556741688.db2.gz FOAWZPBTGACQGS-UHFFFAOYSA-N 0 0 444.560 5.291 40 0 IKABRN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccccc1Cl ZINC000000900585 556741830 /nfs/dbraw/zinc/74/18/30/556741830.db2.gz RHOVPVAQARWUIK-UHFFFAOYSA-N 0 0 434.952 5.378 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000900385 556741886 /nfs/dbraw/zinc/74/18/86/556741886.db2.gz OYZYERMVLVPSEV-UHFFFAOYSA-N 0 0 443.903 5.917 40 0 IKABRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000000900629 556741932 /nfs/dbraw/zinc/74/19/32/556741932.db2.gz VOPQHISKOCDDCK-UHFFFAOYSA-N 0 0 444.560 5.123 40 0 IKABRN Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4cccc(Cl)c4Cl)n3c2c1 ZINC000000903057 556742588 /nfs/dbraw/zinc/74/25/88/556742588.db2.gz SAFJDUSPKBIIIE-UHFFFAOYSA-N 0 0 431.348 5.537 40 0 IKABRN Cc1cc2ccc(C)c(C)c2n2c(SCC(=O)Nc3nc4ccccc4s3)nnc12 ZINC000000903201 556742648 /nfs/dbraw/zinc/74/26/48/556742648.db2.gz DPDVTFCIUUIUGP-UHFFFAOYSA-N 0 0 433.562 5.148 40 0 IKABRN O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 ZINC000019346083 556742882 /nfs/dbraw/zinc/74/28/82/556742882.db2.gz ZKEPIDRJZARZCY-GFCCVEGCSA-N 0 0 430.405 5.222 40 0 IKABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2CC)cc1 ZINC000000903546 556743076 /nfs/dbraw/zinc/74/30/76/556743076.db2.gz KTPSNMWUGVDYNR-UHFFFAOYSA-N 0 0 444.988 5.132 40 0 IKABRN CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)nn2Cc2ccc(F)cc2)cc1 ZINC000000905755 556743469 /nfs/dbraw/zinc/74/34/69/556743469.db2.gz MFPZFMJVYSZTCA-UHFFFAOYSA-N 0 0 446.551 5.426 40 0 IKABRN Cc1ccc(NCc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)c(C)c1 ZINC000000905479 556743476 /nfs/dbraw/zinc/74/34/76/556743476.db2.gz MAJWJZLEYORSBD-UHFFFAOYSA-N 0 0 438.597 5.218 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000000905788 556743532 /nfs/dbraw/zinc/74/35/32/556743532.db2.gz NJPNWDITJFRGLS-UHFFFAOYSA-N 0 0 443.528 5.204 40 0 IKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(C)cc2)cc1 ZINC000000906851 556743654 /nfs/dbraw/zinc/74/36/54/556743654.db2.gz PFENWPBRKYYXGF-UHFFFAOYSA-N 0 0 429.545 5.150 40 0 IKABRN COc1ccc2nc(-c3ccccc3)nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c2c1 ZINC000000906257 556743709 /nfs/dbraw/zinc/74/37/09/556743709.db2.gz DWDWAXIGXIYBCX-KRWDZBQOSA-N 0 0 441.556 5.375 40 0 IKABRN COc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000000905521 556743793 /nfs/dbraw/zinc/74/37/93/556743793.db2.gz IZMDIACMJWAKIZ-UHFFFAOYSA-N 0 0 443.572 5.896 40 0 IKABRN COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(C)cc21 ZINC000000906284 556743798 /nfs/dbraw/zinc/74/37/98/556743798.db2.gz YEPWEHDKISFZQW-UHFFFAOYSA-N 0 0 429.545 5.653 40 0 IKABRN COc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000000907835 556744336 /nfs/dbraw/zinc/74/43/36/556744336.db2.gz FXEJLDARJPYQJD-UHFFFAOYSA-N 0 0 447.560 5.146 40 0 IKABRN Cc1ccc2c(c1)Cc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2 ZINC000013831250 556744690 /nfs/dbraw/zinc/74/46/90/556744690.db2.gz SPEFJYZGXZENAF-UHFFFAOYSA-N 0 0 440.374 6.121 40 0 in-vitro IKABRN CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N(C)C1=S ZINC000409035682 556745239 /nfs/dbraw/zinc/74/52/39/556745239.db2.gz TVYVIZNZRMSICG-GRSHGNNSSA-N 0 0 430.360 5.026 40 0 IKABRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)C1 ZINC000091302572 556745557 /nfs/dbraw/zinc/74/55/57/556745557.db2.gz CDYLQCIGJAGOQL-RBBKRZOGSA-N 0 0 436.552 5.574 40 0 IKABRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)C1 ZINC000091302571 556745567 /nfs/dbraw/zinc/74/55/67/556745567.db2.gz CDYLQCIGJAGOQL-IRLDBZIGSA-N 0 0 436.552 5.574 40 0 IKABRN Clc1ccc(SCCN2CCN(CCSc3ccc(Cl)cc3)CC2)cc1 ZINC000019365572 556746064 /nfs/dbraw/zinc/74/60/64/556746064.db2.gz AUJYRKIDNQBCTE-UHFFFAOYSA-N 0 0 427.466 5.495 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850079 556746371 /nfs/dbraw/zinc/74/63/71/556746371.db2.gz RGXAQQUIZALWTO-OAHLLOKOSA-N 0 0 430.961 5.131 40 0 IKABRN Cc1ccc(NCc2nnc(SCc3ccccc3)n2C[C@H]2CCCO2)cc1Cl ZINC000000915563 556746303 /nfs/dbraw/zinc/74/63/03/556746303.db2.gz KZSRCZLAUGUAEV-LJQANCHMSA-N 0 0 428.989 5.323 40 0 IKABRN O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)Nc1ccccc1 ZINC000000917130 556747552 /nfs/dbraw/zinc/74/75/52/556747552.db2.gz DVEQMRZVUBXJFS-UHFFFAOYSA-N 0 0 434.952 5.242 40 0 IKABRN CCc1ccc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 ZINC000000875980 556748449 /nfs/dbraw/zinc/74/84/49/556748449.db2.gz SMYZYXGEOVILOP-UHFFFAOYSA-N 0 0 445.544 5.668 40 0 IKABRN CCN(CC)c1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 ZINC000000919457 556748457 /nfs/dbraw/zinc/74/84/57/556748457.db2.gz SLQZYQKTKIYSIX-VQIMIIECSA-N 0 0 447.461 5.235 40 0 IKABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccccc1)Cc1ccccc1 ZINC000057781420 556749134 /nfs/dbraw/zinc/74/91/34/556749134.db2.gz RWOQXZAPZDTPGL-UHFFFAOYSA-N 0 0 431.923 5.552 40 0 IKABRN O=C(c1cccnc1)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019373044 556749384 /nfs/dbraw/zinc/74/93/84/556749384.db2.gz HETHBXMXNUJAMI-HSZRJFAPSA-N 0 0 436.519 5.045 40 0 IKABRN O=C(Nc1ccccc1)N1CCc2nc(-c3cccnc3)nc(Nc3cccc(F)c3)c2C1 ZINC000019372986 556749407 /nfs/dbraw/zinc/74/94/07/556749407.db2.gz KDNMWJNMBUGFEF-UHFFFAOYSA-N 0 0 440.482 5.012 40 0 IKABRN O=C(C[C@H]1C=CCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019373115 556749661 /nfs/dbraw/zinc/74/96/61/556749661.db2.gz XJIALMYSOGARCF-UNMCSNQZSA-N 0 0 439.563 5.345 40 0 IKABRN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc2sc(C(=O)N3CCCC3)c(N)c21 ZINC000000920378 556749905 /nfs/dbraw/zinc/74/99/05/556749905.db2.gz BQNSJAIRHXFLRN-UHFFFAOYSA-N 0 0 443.572 5.766 40 0 IKABRN Nc1c(C(=S)Nc2ccccc2)sc2nc(-c3ccco3)cc(-c3ccc(F)cc3)c12 ZINC000001073749 556749990 /nfs/dbraw/zinc/74/99/90/556749990.db2.gz LYFCJDDTTRZMBO-UHFFFAOYSA-N 0 0 445.544 6.732 40 0 IKABRN O=C(c1cccc(F)c1)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019373304 556750154 /nfs/dbraw/zinc/75/01/54/556750154.db2.gz RIIBYAYHSWGCTI-HXUWFJFHSA-N 0 0 439.494 5.051 40 0 IKABRN Cc1nc(N(c2ccccc2)S(=O)(=O)c2ccccc2)sc1NC(=O)c1ccccc1 ZINC000001106659 556750331 /nfs/dbraw/zinc/75/03/31/556750331.db2.gz FFCQFGIBPDIPET-UHFFFAOYSA-N 0 0 449.557 5.231 40 0 IKABRN Cc1sc2c(c1C)C(c1ccccc1Cl)=NCC(=O)N2CC(=O)c1ccc(C)cc1 ZINC000000924540 556752058 /nfs/dbraw/zinc/75/20/58/556752058.db2.gz ZUMPHQWVSILRNB-UHFFFAOYSA-N 0 0 436.964 5.394 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1Cl ZINC000000924475 556752161 /nfs/dbraw/zinc/75/21/61/556752161.db2.gz RGLNFWZIQRPFFZ-UHFFFAOYSA-N 0 0 441.988 5.538 40 0 IKABRN Cc1sc2nc(SCC(=O)Nc3ccccc3)n(CCc3ccccc3)c(=O)c2c1C ZINC000000924688 556752298 /nfs/dbraw/zinc/75/22/98/556752298.db2.gz XPZXWNPQUYGGCN-UHFFFAOYSA-N 0 0 449.601 5.048 40 0 IKABRN O=C(c1ccc(F)c(Cl)c1)N1CCC(c2nnc(-c3nccc4ccccc43)o2)CC1 ZINC000019376522 556752297 /nfs/dbraw/zinc/75/22/97/556752297.db2.gz QLMDEVIQERODKL-UHFFFAOYSA-N 0 0 436.874 5.097 40 0 IKABRN Clc1ccc(CN2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)cc1Cl ZINC000019376471 556752422 /nfs/dbraw/zinc/75/24/22/556752422.db2.gz JBSQNXKAWPHCRY-IBGZPJMESA-N 0 0 425.319 5.929 40 0 IKABRN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000000924841 556752684 /nfs/dbraw/zinc/75/26/84/556752684.db2.gz HMSXTBWSNQGTGY-FPOVZHCZSA-N 0 0 435.593 5.465 40 0 IKABRN CCc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000928171 556754067 /nfs/dbraw/zinc/75/40/67/556754067.db2.gz RJXQZAWKZVOHND-UHFFFAOYSA-N 0 0 441.600 5.798 40 0 IKABRN CCc1cccc(CC)c1NC(=O)CSc1nnc2c(C)cc3cc(OC)ccc3n12 ZINC000000928486 556754239 /nfs/dbraw/zinc/75/42/39/556754239.db2.gz HLRSYKUFNDVASE-UHFFFAOYSA-N 0 0 434.565 5.055 40 0 IKABRN Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n12 ZINC000000929730 556755366 /nfs/dbraw/zinc/75/53/66/556755366.db2.gz KTPHOYQVBJFKNN-UHFFFAOYSA-N 0 0 444.482 5.557 40 0 IKABRN CCOc1cc(NC(=O)c2ccccc2F)c(OCC)cc1NC(=O)c1cccs1 ZINC000000929382 556755379 /nfs/dbraw/zinc/75/53/79/556755379.db2.gz CKICDDVKKPHCOH-UHFFFAOYSA-N 0 0 428.485 5.189 40 0 IKABRN O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccccc1Cl ZINC000409058301 556755879 /nfs/dbraw/zinc/75/58/79/556755879.db2.gz NOFCKPICNUVUCQ-BKUYFWCQSA-N 0 0 439.895 6.299 40 0 IKABRN CC(C)CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019446680 556756078 /nfs/dbraw/zinc/75/60/78/556756078.db2.gz IQLQYDGKGCAMOU-QHCPKHFHSA-N 0 0 434.411 5.504 40 0 IKABRN Cc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2c(=O)n1Cc1ccccc1Cl ZINC000000930658 556756103 /nfs/dbraw/zinc/75/61/03/556756103.db2.gz RJDPCIITVFTUOX-UHFFFAOYSA-N 0 0 438.314 5.312 40 0 IKABRN CCCc1nc2ccc(NC(=O)Nc3ccccc3)cc2c(=O)n1Cc1cccc(Cl)c1 ZINC000000930695 556756150 /nfs/dbraw/zinc/75/61/50/556756150.db2.gz QKKPTCNQDKSOGI-UHFFFAOYSA-N 0 0 446.938 5.695 40 0 IKABRN Cc1ccc(C)c(Cn2c(C)nc3ccc(NC(=O)c4cccc(Cl)c4)cc3c2=O)c1 ZINC000000930713 556756167 /nfs/dbraw/zinc/75/61/67/556756167.db2.gz GWPYOYGAPFGQRZ-UHFFFAOYSA-N 0 0 431.923 5.276 40 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Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccc(Cl)cc2)c1 ZINC000409099120 556795401 /nfs/dbraw/zinc/79/54/01/556795401.db2.gz SBXIHGXJOYBCRZ-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccc(Cl)cc2)cc1C ZINC000409101819 556795531 /nfs/dbraw/zinc/79/55/31/556795531.db2.gz ZAHRHKGFAGCSFJ-UHFFFAOYSA-N 0 0 440.399 7.150 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)cc1 ZINC000409101907 556795547 /nfs/dbraw/zinc/79/55/47/556795547.db2.gz XCICZUQRBMWZCK-UHFFFAOYSA-N 0 0 428.989 5.548 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2)cc1 ZINC000409098766 556795556 /nfs/dbraw/zinc/79/55/56/556795556.db2.gz JUGSSTZXNKYLDX-UHFFFAOYSA-N 0 0 442.588 5.844 40 0 IKABRN CCOc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409101615 556795606 /nfs/dbraw/zinc/79/56/06/556795606.db2.gz PUYKPSMEECCAQB-UHFFFAOYSA-N 0 0 439.943 6.418 40 0 IKABRN O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000409101712 556795651 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Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c(C)c1 ZINC000001380133 556796362 /nfs/dbraw/zinc/79/63/62/556796362.db2.gz GGYWADWHVSIDEX-DEOSSOPVSA-N 0 0 434.511 5.482 40 0 IKABRN Cc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccncc2)cc1C ZINC000409100165 556796317 /nfs/dbraw/zinc/79/63/17/556796317.db2.gz VFHBUPAEUWIRPZ-UHFFFAOYSA-N 0 0 436.968 5.771 40 0 IKABRN CC(C)Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1 ZINC000409099737 556796421 /nfs/dbraw/zinc/79/64/21/556796421.db2.gz SJSTXWDAAQSYNE-UHFFFAOYSA-N 0 0 435.380 5.639 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)cc1 ZINC000001380182 556796372 /nfs/dbraw/zinc/79/63/72/556796372.db2.gz PDXOSXMIIAHIMA-DEOSSOPVSA-N 0 0 434.511 5.482 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000001380112 556796389 /nfs/dbraw/zinc/79/63/89/556796389.db2.gz SDNWTCAAWVRIDM-JOCHJYFZSA-N 0 0 440.902 5.519 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1ccco1)c1ccc(F)c(Cl)c1 ZINC000001380204 556796390 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COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc32)cc1 ZINC000002074102 556798473 /nfs/dbraw/zinc/79/84/73/556798473.db2.gz IKSQGATYBAXTKI-UHFFFAOYSA-N 0 0 435.936 5.690 40 0 IKABRN Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc32)cc1 ZINC000409108107 556798880 /nfs/dbraw/zinc/79/88/80/556798880.db2.gz VLLHNQKQTUGQBZ-UHFFFAOYSA-N 0 0 441.987 6.957 40 0 IKABRN COc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409106849 556799210 /nfs/dbraw/zinc/79/92/10/556799210.db2.gz MZJYMKJPNPINDQ-UHFFFAOYSA-N 0 0 425.916 6.028 40 0 IKABRN CCc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409106464 556799296 /nfs/dbraw/zinc/79/92/96/556799296.db2.gz MGDFQNHNHWDHTL-UHFFFAOYSA-N 0 0 434.008 6.875 40 0 IKABRN O=C1Nc2ccccc2S/C1=C\c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000409109149 556799457 /nfs/dbraw/zinc/79/94/57/556799457.db2.gz YMTJGGYHLBUHRS-YUMHPJSZSA-N 0 0 432.548 6.928 40 0 IKABRN O=C(CSCc1c(Cl)cccc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000409109882 556799956 /nfs/dbraw/zinc/79/99/56/556799956.db2.gz NFDPPMSJMWSSSV-UHFFFAOYSA-N 0 0 430.400 6.456 40 0 IKABRN CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409110370 556800448 /nfs/dbraw/zinc/80/04/48/556800448.db2.gz VJIWKHIKOSMNJN-UHFFFAOYSA-N 0 0 430.375 7.146 40 0 IKABRN CCOc1cc(CNc2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409110287 556800510 /nfs/dbraw/zinc/80/05/10/556800510.db2.gz AXXFHBQLBWBZEW-UHFFFAOYSA-N 0 0 425.550 5.390 40 0 IKABRN CCOc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409110690 556800618 /nfs/dbraw/zinc/80/06/18/556800618.db2.gz FYCVQBRMVMQBQD-UHFFFAOYSA-N 0 0 446.772 6.692 40 0 IKABRN CCOc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000409110625 556800621 /nfs/dbraw/zinc/80/06/21/556800621.db2.gz FLCKPXLMZRLQGO-UHFFFAOYSA-N 0 0 426.354 6.347 40 0 IKABRN CCOC(=O)c1c(NC(=O)c2ccccc2C)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409110597 556800675 /nfs/dbraw/zinc/80/06/75/556800675.db2.gz WYUKXKMBMKCSQH-UHFFFAOYSA-N 0 0 425.484 6.351 40 0 IKABRN CCCc1sc2nc(SCc3ccc(F)cc3)n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000409110522 556800724 /nfs/dbraw/zinc/80/07/24/556800724.db2.gz DJWYRXKTFIJJBG-UHFFFAOYSA-N 0 0 442.556 6.279 40 0 IKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)c(C)c1 ZINC000409110888 556800890 /nfs/dbraw/zinc/80/08/90/556800890.db2.gz AQZTVTKSYPYSMN-UHFFFAOYSA-N 0 0 436.382 7.955 40 0 IKABRN Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)o1 ZINC000019559344 556801133 /nfs/dbraw/zinc/80/11/33/556801133.db2.gz BDVFEOSWCHWUAC-OAHLLOKOSA-N 0 0 449.477 5.018 40 0 IKABRN CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)NC2CCCCC2)c1C ZINC000409110926 556801211 /nfs/dbraw/zinc/80/12/11/556801211.db2.gz AUESMVYICQNUIU-UHFFFAOYSA-N 0 0 448.972 5.201 40 0 IKABRN Cc1cccc(NCc2cc(Br)ccc2OCc2cccc3ccccc32)c1C ZINC000409111489 556801215 /nfs/dbraw/zinc/80/12/15/556801215.db2.gz CLIMUZKZMUNUQU-UHFFFAOYSA-N 0 0 446.388 7.410 40 0 IKABRN CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409111107 556801604 /nfs/dbraw/zinc/80/16/04/556801604.db2.gz BAPQPNIEJRTELO-UHFFFAOYSA-N 0 0 425.484 6.351 40 0 IKABRN CCCOc1c(I)cc(CNc2ccc(CC)cc2)cc1OC ZINC000409111359 556801811 /nfs/dbraw/zinc/80/18/11/556801811.db2.gz AAATVQMNOKVMCY-UHFFFAOYSA-N 0 0 425.310 5.263 40 0 IKABRN Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)sc3c2CCCC3)cc1C ZINC000409111929 556802071 /nfs/dbraw/zinc/80/20/71/556802071.db2.gz AKLLAXNTODCYOE-UHFFFAOYSA-N 0 0 438.980 6.402 40 0 IKABRN O=C(NCc1ccccc1)c1c2c(sc1NC(=O)C13CC4CC(CC(C4)C1)C3)CCCC2 ZINC000409111715 556802345 /nfs/dbraw/zinc/80/23/45/556802345.db2.gz CDUUWOMROHCXII-UHFFFAOYSA-N 0 0 448.632 5.712 40 0 IKABRN CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000409111638 556802350 /nfs/dbraw/zinc/80/23/50/556802350.db2.gz DGONMCMXFLENCI-STZFKDTASA-N 0 0 438.354 6.870 40 0 IKABRN Cc1cccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)c1C ZINC000409112047 556802360 /nfs/dbraw/zinc/80/23/60/556802360.db2.gz JVDPMFCUGIOUDE-UHFFFAOYSA-N 0 0 436.382 7.955 40 0 IKABRN Brc1ccc(COc2ccc(Br)cc2CNc2ccccc2)cc1 ZINC000409111642 556802381 /nfs/dbraw/zinc/80/23/81/556802381.db2.gz DIACHIDQCGDTIE-UHFFFAOYSA-N 0 0 447.170 6.403 40 0 IKABRN COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(Br)cc1 ZINC000014944060 556802398 /nfs/dbraw/zinc/80/23/98/556802398.db2.gz QYTFMDCEKUTDIZ-UHFFFAOYSA-N 0 0 434.399 5.444 40 0 IKABRN Fc1ccc(COc2ccc3ccccc3c2CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409112754 556803045 /nfs/dbraw/zinc/80/30/45/556803045.db2.gz CSDGIKMRPVICSQ-UHFFFAOYSA-N 0 0 449.525 7.962 40 0 IKABRN Cc1sc2c([C@H]3CCCN(C(=O)Cc4ccccn4)C3)nc(Nc3ccccc3)n2c1C ZINC000019561723 556803124 /nfs/dbraw/zinc/80/31/24/556803124.db2.gz WTGQOVUKHRTUMX-IBGZPJMESA-N 0 0 445.592 5.100 40 0 IKABRN CCOc1cc(CNc2cc(Cl)ccc2C)cc(I)c1OCC ZINC000409113568 556803672 /nfs/dbraw/zinc/80/36/72/556803672.db2.gz HIUFKFGEGXVGHP-UHFFFAOYSA-N 0 0 445.728 5.663 40 0 IKABRN Cc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1C ZINC000409113727 556803922 /nfs/dbraw/zinc/80/39/22/556803922.db2.gz DZMNTLLGNRLJDS-UHFFFAOYSA-N 0 0 436.382 7.955 40 0 IKABRN COc1cccc(C[N@@H+]2CCC[C@@](Cc3ccccc3-c3ccccc3OC)(C(=O)[O-])C2)c1 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O=C(NCc1ccccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409116176 556807374 /nfs/dbraw/zinc/80/73/74/556807374.db2.gz LATFGLWGEBELPF-XMMPIXPASA-N 0 0 436.964 5.044 40 0 IKABRN CCCOc1c(I)cc(CNc2ccc(CC)cc2)cc1OCC ZINC000409115970 556807389 /nfs/dbraw/zinc/80/73/89/556807389.db2.gz KGLUAMDZKKOMFF-UHFFFAOYSA-N 0 0 439.337 5.653 40 0 IKABRN O=C(NCc1ccccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409116173 556807398 /nfs/dbraw/zinc/80/73/98/556807398.db2.gz LATFGLWGEBELPF-DEOSSOPVSA-N 0 0 436.964 5.044 40 0 IKABRN Clc1cc(Cl)c(OCc2ccc(Br)cc2)c(CNc2ccccc2)c1 ZINC000409116089 556807431 /nfs/dbraw/zinc/80/74/31/556807431.db2.gz KNYVHIUQNBFLFI-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1Cl ZINC000409116350 556807783 /nfs/dbraw/zinc/80/77/83/556807783.db2.gz PFHWSOBSULVQPG-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN COc1cccc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1OC ZINC000019567904 556808059 /nfs/dbraw/zinc/80/80/59/556808059.db2.gz 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IKABRN CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 ZINC000006878445 556840169 /nfs/dbraw/zinc/84/01/69/556840169.db2.gz CXOVVJFOOHAZIJ-UHFFFAOYSA-N 0 0 440.878 5.368 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)cc1 ZINC000019648316 556841333 /nfs/dbraw/zinc/84/13/33/556841333.db2.gz JUXPTPIHYWROLV-UHFFFAOYSA-N 0 0 448.954 5.986 40 0 IKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000409130614 556841691 /nfs/dbraw/zinc/84/16/91/556841691.db2.gz IMNXRLQYUMRWIE-UHFFFAOYSA-N 0 0 426.354 6.266 40 0 IKABRN CCOc1cc(Cl)c(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC ZINC000409130489 556841764 /nfs/dbraw/zinc/84/17/64/556841764.db2.gz IBSASQGLBAPLAB-DEDYPNTBSA-N 0 0 431.941 5.416 40 0 IKABRN Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 ZINC000019687025 556842038 /nfs/dbraw/zinc/84/20/38/556842038.db2.gz LQQXXBKMUFNOTA-QHCPKHFHSA-N 0 0 432.568 5.092 40 0 IKABRN O=C1S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CC1CCCCC1 ZINC000409131718 556842264 /nfs/dbraw/zinc/84/22/64/556842264.db2.gz JFSKOVHYBCUGCR-BUVRLJJBSA-N 0 0 430.573 6.306 40 0 IKABRN CCOc1cc(CNc2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409131441 556842333 /nfs/dbraw/zinc/84/23/33/556842333.db2.gz JMJDUJCZBKEBCP-UHFFFAOYSA-N 0 0 442.353 6.048 40 0 IKABRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000409131495 556842336 /nfs/dbraw/zinc/84/23/36/556842336.db2.gz JEYCFPKDBKSFQV-XSFVSMFZSA-N 0 0 445.968 5.805 40 0 IKABRN CCOC(=O)Cn1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409131734 556842491 /nfs/dbraw/zinc/84/24/91/556842491.db2.gz XURRAZVDFUFZKQ-ODLFYWEKSA-N 0 0 440.908 5.099 40 0 IKABRN COc1ccccc1CCC(=O)N1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000019688151 556842738 /nfs/dbraw/zinc/84/27/38/556842738.db2.gz VKZJKTOZIGTGKK-QHCPKHFHSA-N 0 0 432.539 5.159 40 0 IKABRN COC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)cc2)sc2c1CCCC2 ZINC000409132432 556842801 /nfs/dbraw/zinc/84/28/01/556842801.db2.gz OMCFAYKWWKBLLJ-UHFFFAOYSA-N 0 0 437.586 5.958 40 0 IKABRN CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)nc1 ZINC000019688322 556843024 /nfs/dbraw/zinc/84/30/24/556843024.db2.gz YAANRDLXSBGGLZ-NRFANRHFSA-N 0 0 435.593 5.164 40 0 IKABRN COc1cc(CNc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1 ZINC000409132733 556843325 /nfs/dbraw/zinc/84/33/25/556843325.db2.gz LNXZMJRLFLASBN-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN Cc1sc2ncnc(S[C@H](C)C(=O)N3c4ccccc4Sc4ccccc43)c2c1C ZINC000008686453 556844855 /nfs/dbraw/zinc/84/48/55/556844855.db2.gz WHBLZTLLGHPYCP-OAHLLOKOSA-N 0 0 449.626 6.618 40 0 aggregator IKABRN Cc1cc(C)c(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc32)c(C)c1 ZINC000008687083 556844940 /nfs/dbraw/zinc/84/49/40/556844940.db2.gz KWTURHPAJUOICG-UHFFFAOYSA-N 0 0 443.572 5.865 40 0 IKABRN Cc1oc2c(c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1)CCCC2 ZINC000019690112 556845472 /nfs/dbraw/zinc/84/54/72/556845472.db2.gz KVXUMBZJSNVERB-NRFANRHFSA-N 0 0 448.542 5.106 40 0 IKABRN O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 ZINC000019690303 556845885 /nfs/dbraw/zinc/84/58/85/556845885.db2.gz AVNKIJVNPSSRIJ-NRFANRHFSA-N 0 0 442.538 5.027 40 0 IKABRN CCO[C@H]1CC(=O)O[C@@H](CC[C@H]2[C@@H](C)C=CC3=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@H]32)C1 ZINC000067665406 556845983 /nfs/dbraw/zinc/84/59/83/556845983.db2.gz YVEQEBOMQFZSIT-JZVGLLOXSA-N 0 0 446.628 5.630 40 0 in-vitro IKABRN CCOCc1ccc(C(=O)N2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1 ZINC000019690343 556846066 /nfs/dbraw/zinc/84/60/66/556846066.db2.gz SQKVALLCMVQRRQ-XMMPIXPASA-N 0 0 432.539 5.368 40 0 IKABRN CCCN1C(=O)S/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409133366 556846166 /nfs/dbraw/zinc/84/61/66/556846166.db2.gz STQOZSVYXGLITM-STZFKDTASA-N 0 0 440.952 5.820 40 0 IKABRN Cc1nc(CC(=O)N2CCC(c3cc(Cc4ccc(Cl)cc4)cc(C)n3)CC2)cs1 ZINC000019691842 556847611 /nfs/dbraw/zinc/84/76/11/556847611.db2.gz NQXNQTLEBWORND-UHFFFAOYSA-N 0 0 440.012 5.348 40 0 IKABRN Cc1onc(C(C)C)c1C(=O)N1CCC(c2cc(Cc3cccc(F)c3)cc(C)n2)CC1 ZINC000019691889 556847658 /nfs/dbraw/zinc/84/76/58/556847658.db2.gz SLGBAWRSMZVXKR-UHFFFAOYSA-N 0 0 435.543 5.560 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)S2)cc1 ZINC000408773060 556847928 /nfs/dbraw/zinc/84/79/28/556847928.db2.gz PNBAIYBCZROUHU-GLSAMTQTSA-N 0 0 448.544 5.204 40 0 IKABRN O=C(CSCc1cccc(Br)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408775093 556848355 /nfs/dbraw/zinc/84/83/55/556848355.db2.gz YVVFAEJDOHHAOS-UHFFFAOYSA-N 0 0 428.351 6.113 40 0 IKABRN O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1CCCc1ccccc1 ZINC000409135755 556849068 /nfs/dbraw/zinc/84/90/68/556849068.db2.gz QMRSJEYWZIBBGP-JJIBRWJFSA-N 0 0 447.531 6.074 40 0 IKABRN Cc1cccc(N2N=C(c3ccco3)C[C@@H]2c2cc3c(cc2Br)OCO3)c1 ZINC000068603700 556849101 /nfs/dbraw/zinc/84/91/01/556849101.db2.gz XOHDUJIKGRKFEK-GOSISDBHSA-N 0 0 425.282 5.435 40 0 IKABRN CC(C)CN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C1=O ZINC000409136580 556849443 /nfs/dbraw/zinc/84/94/43/556849443.db2.gz XOZVIWQWJBPCFP-HAHDFKILSA-N 0 0 434.561 5.803 40 0 IKABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 ZINC000008829172 556849547 /nfs/dbraw/zinc/84/95/47/556849547.db2.gz BCKUUNFZPHVTFS-DEOSSOPVSA-N 0 0 432.520 5.044 40 0 IKABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)Nc3cccc(C)c3)cc2c1 ZINC000008829239 556849585 /nfs/dbraw/zinc/84/95/85/556849585.db2.gz ZTVFWZVFHFJZIF-UHFFFAOYSA-N 0 0 449.601 5.306 40 0 aggregator IKABRN COc1ccc(Br)cc1/C=C\C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000008832359 556849730 /nfs/dbraw/zinc/84/97/30/556849730.db2.gz AXIWNGZSMHBGMT-YHYXMXQVSA-N 0 0 449.776 5.753 40 0 IKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000019694849 556851014 /nfs/dbraw/zinc/85/10/14/556851014.db2.gz VQFBLSWSRQGVKM-UHFFFAOYSA-N 0 0 439.481 5.414 40 0 IKABRN Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000008892273 556851167 /nfs/dbraw/zinc/85/11/67/556851167.db2.gz HLYDHNXXNZTLMP-DHIUTWEWSA-N 0 0 447.325 5.798 40 0 IKABRN O=C1[C@H]2[C@H](C(=O)N1CCc1ccc(Cl)cc1)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000008989975 556853310 /nfs/dbraw/zinc/85/33/10/556853310.db2.gz FMOSHKWMZZHYAP-VEYUFSJPSA-N 0 0 441.958 5.621 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3cccc(C)c3)S2)cc1 ZINC000408785834 556855854 /nfs/dbraw/zinc/85/58/54/556855854.db2.gz ZUBBDMMATJCPNM-SJJVXOANSA-N 0 0 430.573 5.736 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)S2)cc1 ZINC000408790563 556856220 /nfs/dbraw/zinc/85/62/20/556856220.db2.gz SKQOFVCPRARKEW-GJFKPFFXSA-N 0 0 434.536 5.567 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1 ZINC000408786488 556856370 /nfs/dbraw/zinc/85/63/70/556856370.db2.gz QZRFQDPPRNOUHY-GTWFGUSFSA-N 0 0 446.572 5.436 40 0 IKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408791066 556857229 /nfs/dbraw/zinc/85/72/29/556857229.db2.gz VMJREVMHBMSBAD-UHFFFAOYSA-N 0 0 445.971 7.677 40 0 IKABRN CCCCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc1OC ZINC000408801673 556858464 /nfs/dbraw/zinc/85/84/64/556858464.db2.gz VECZPWLFDOCJGW-UHFFFAOYSA-N 0 0 431.965 5.599 40 0 IKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000408801343 556858509 /nfs/dbraw/zinc/85/85/09/556858509.db2.gz VKGJBLOEZDSUGU-UHFFFAOYSA-N 0 0 428.512 5.592 40 0 IKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc3ccccc23)SC1Nc1ccccc1 ZINC000408807483 556860473 /nfs/dbraw/zinc/86/04/73/556860473.db2.gz CZXBXWOKVWVNPF-LPVHSTFKSA-N 0 0 427.593 6.894 40 0 IKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Br)o2)SC1Nc1ccccc1 ZINC000408805270 556860790 /nfs/dbraw/zinc/86/07/90/556860790.db2.gz FQVRACSWTVJASK-COWXZMSHSA-N 0 0 446.390 6.096 40 0 IKABRN CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)C1=O ZINC000408813342 556861329 /nfs/dbraw/zinc/86/13/29/556861329.db2.gz PHRVNJRHHVMULF-SXGWCWSVSA-N 0 0 438.730 5.348 40 0 IKABRN CN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C1=O ZINC000408811259 556862511 /nfs/dbraw/zinc/86/25/11/556862511.db2.gz APNAKKFSFUJJPD-SXGWCWSVSA-N 0 0 438.730 5.348 40 0 IKABRN CC(C)COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408812728 556863042 /nfs/dbraw/zinc/86/30/42/556863042.db2.gz PIDBFCCJPLMHQV-XNFVXLNTSA-N 0 0 449.640 6.775 40 0 IKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 ZINC000408823407 556865508 /nfs/dbraw/zinc/86/55/08/556865508.db2.gz DFHOGDIZPAFVFF-UHFFFAOYSA-N 0 0 435.774 6.431 40 0 IKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccccn1 ZINC000408822895 556865538 /nfs/dbraw/zinc/86/55/38/556865538.db2.gz CKYNUEYMCXKFOH-UHFFFAOYSA-N 0 0 433.536 6.791 40 0 IKABRN COc1ccc(OC)c(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408814930 556865581 /nfs/dbraw/zinc/86/55/81/556865581.db2.gz ZUYGTWUGNMNJQP-XSXPQHRMSA-N 0 0 437.585 5.758 40 0 IKABRN COc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C)c(OC)c1 ZINC000408826311 556866413 /nfs/dbraw/zinc/86/64/13/556866413.db2.gz BWKJCZIOCDHRDV-UHFFFAOYSA-N 0 0 444.556 5.906 40 0 IKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)cc1 ZINC000408824773 556866520 /nfs/dbraw/zinc/86/65/20/556866520.db2.gz HRBNDRZXMXBVHU-UHFFFAOYSA-N 0 0 425.768 6.975 40 0 IKABRN CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(OC)cc1 ZINC000408835327 556866892 /nfs/dbraw/zinc/86/68/92/556866892.db2.gz WMMDVBLIOLJHJG-UHFFFAOYSA-N 0 0 431.355 5.786 40 0 IKABRN CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1cc(C)ccc1C ZINC000408833505 556866961 /nfs/dbraw/zinc/86/69/61/556866961.db2.gz SRXCXANGYCPOQE-UHFFFAOYSA-N 0 0 426.585 7.299 40 0 IKABRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)OC1=O)c1ccccc1 ZINC000408839581 556866977 /nfs/dbraw/zinc/86/69/77/556866977.db2.gz UNUGOOVISSEJJC-XMHGGMMESA-N 0 0 448.272 5.013 40 0 IKABRN O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccc(F)cc1 ZINC000408840595 556867252 /nfs/dbraw/zinc/86/72/52/556867252.db2.gz CPCXBJNENBNDCE-NTUHNPAUSA-N 0 0 436.689 5.801 40 0 IKABRN O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/C=C/c1ccccc1 ZINC000408841347 556867513 /nfs/dbraw/zinc/86/75/13/556867513.db2.gz GKJUGMGMKIERDO-DUEVJXGLSA-N 0 0 444.737 6.218 40 0 IKABRN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1sc2cc(Cl)ccc2c1Cl ZINC000408847037 556869137 /nfs/dbraw/zinc/86/91/37/556869137.db2.gz SHEOCBHKQAYIMK-UHFFFAOYSA-N 0 0 431.296 6.022 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000409141911 556873328 /nfs/dbraw/zinc/87/33/28/556873328.db2.gz JQHKJJHDRYOJPF-SFQUDFHCSA-N 0 0 436.260 7.192 40 0 IKABRN O=C1S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1CC1CCCCC1 ZINC000409143009 556873918 /nfs/dbraw/zinc/87/39/18/556873918.db2.gz YLFXQUAMJZBTTD-ZVHZXABRSA-N 0 0 448.563 6.445 40 0 IKABRN CCOc1c(Cl)cc(C[C@@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409144563 556874066 /nfs/dbraw/zinc/87/40/66/556874066.db2.gz KSJNEKRFLCABCH-HNNXBMFYSA-N 0 0 430.740 5.857 40 0 IKABRN CCOc1ccc(Br)cc1C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409146616 556874563 /nfs/dbraw/zinc/87/45/63/556874563.db2.gz RJWADOXBQKTRJF-INIZCTEOSA-N 0 0 440.746 5.312 40 0 IKABRN CCOc1ccc(Br)cc1C[C@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409146621 556874571 /nfs/dbraw/zinc/87/45/71/556874571.db2.gz RJWADOXBQKTRJF-MRXNPFEDSA-N 0 0 440.746 5.312 40 0 IKABRN Nc1c(Br)cc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1Br ZINC000070461364 556875665 /nfs/dbraw/zinc/87/56/65/556875665.db2.gz AVRJWUVBSMKEFS-UHFFFAOYSA-N 0 0 436.918 5.909 40 0 IKABRN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C ZINC000409150287 556876712 /nfs/dbraw/zinc/87/67/12/556876712.db2.gz BERXIKWXFYQTSV-UHFFFAOYSA-N 0 0 435.380 5.643 40 0 IKABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)c[nH]c21 ZINC000409150210 556876730 /nfs/dbraw/zinc/87/67/30/556876730.db2.gz ASWWQBRPOUBFFN-ODLFYWEKSA-N 0 0 433.533 5.022 40 0 IKABRN CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 ZINC000409154517 556879100 /nfs/dbraw/zinc/87/91/00/556879100.db2.gz KFYJTBJHZCPITD-WQRHYEAKSA-N 0 0 432.339 5.473 40 0 IKABRN CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O ZINC000409156605 556879965 /nfs/dbraw/zinc/87/99/65/556879965.db2.gz KVMUNPDPTLZWBD-HYARGMPZSA-N 0 0 446.528 5.222 40 0 IKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408901197 556882619 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CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408926948 556892939 /nfs/dbraw/zinc/89/29/39/556892939.db2.gz VCIMEVBMGAYCFZ-BKUYFWCQSA-N 0 0 445.446 5.097 40 0 IKABRN CCCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2cc(C)ccc2C(C)C)N1 ZINC000408953578 556898891 /nfs/dbraw/zinc/89/88/91/556898891.db2.gz MDSSHBYGCKDBGW-OAQYLSRUSA-N 0 0 428.495 5.307 40 0 IKABRN COc1ccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1Cl ZINC000072228730 556901048 /nfs/dbraw/zinc/90/10/48/556901048.db2.gz SOUCAKGONJYIPQ-UHFFFAOYSA-N 0 0 440.956 5.630 40 0 IKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)c(C)c3s2)n1 ZINC000072228621 556901170 /nfs/dbraw/zinc/90/11/70/556901170.db2.gz KHKOQKIIGTZUHF-UHFFFAOYSA-N 0 0 445.375 6.275 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)n2C)c(C)c1 ZINC000409158570 556901573 /nfs/dbraw/zinc/90/15/73/556901573.db2.gz UAYRJDRASCBKIO-UHFFFAOYSA-N 0 0 438.597 5.174 40 0 IKABRN O=C(C1CCN(C(=O)c2ccccc2Cl)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000408971923 556903035 /nfs/dbraw/zinc/90/30/35/556903035.db2.gz MABDBWDWHMIYEX-UHFFFAOYSA-N 0 0 446.978 5.421 40 0 IKABRN COc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(C)c(OC)c4)C(=O)O3)sc2c1Cl ZINC000408969959 556904285 /nfs/dbraw/zinc/90/42/85/556904285.db2.gz XTVIJDNAHMZFNL-JYRVWZFOSA-N 0 0 448.327 5.878 40 0 IKABRN O=C(Nc1cccc(Cl)c1Cl)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408970766 556904390 /nfs/dbraw/zinc/90/43/90/556904390.db2.gz DJDYBCCSDQLSPU-UHFFFAOYSA-N 0 0 425.551 7.421 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408970440 556904445 /nfs/dbraw/zinc/90/44/45/556904445.db2.gz HUXTYALPBZPZEO-UHFFFAOYSA-N 0 0 446.161 5.791 40 0 IKABRN CCc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408973710 556904884 /nfs/dbraw/zinc/90/48/84/556904884.db2.gz PNGXSIZXEUGVMP-SANMLTNESA-N 0 0 430.573 5.318 40 0 IKABRN COc1ccc([C@@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)cc1 ZINC000408974169 556904927 /nfs/dbraw/zinc/90/49/27/556904927.db2.gz WEVZDZLHXKNZFP-HXUWFJFHSA-N 0 0 430.558 5.266 40 0 IKABRN 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556908773 /nfs/dbraw/zinc/90/87/73/556908773.db2.gz QCLAOIZRMVBURI-UHFFFAOYSA-N 0 0 438.560 6.046 40 0 IKABRN Cc1cccc(C2=N/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)O2)c1 ZINC000408986551 556909556 /nfs/dbraw/zinc/90/95/56/556909556.db2.gz MYBMVVRYTVRGTJ-HMAPJEAMSA-N 0 0 448.316 5.681 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)ccc1OC(C)=O ZINC000408990735 556911303 /nfs/dbraw/zinc/91/13/03/556911303.db2.gz LPQYQXWTZIRVMW-XNTDXEJSSA-N 0 0 441.892 5.223 40 0 IKABRN CCOC(=O)C1=C(c2ccccc2)NC(SCc2ccc(F)cc2)=N[C@H]1c1ccccc1 ZINC000408990996 556911412 /nfs/dbraw/zinc/91/14/12/556911412.db2.gz PGZOFRXZRJPDRI-QHCPKHFHSA-N 0 0 446.547 5.734 40 0 IKABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N=C(SCc2ccc(Cl)cc2)N1 ZINC000408990598 556911439 /nfs/dbraw/zinc/91/14/39/556911439.db2.gz OEXWDIULUXZQCS-QHCPKHFHSA-N 0 0 447.991 6.186 40 0 IKABRN O=c1[nH]c(-c2ccc(Sc3nc4ccccc4s3)o2)nc2sc3c(c21)CCCC3 ZINC000408989120 556911881 /nfs/dbraw/zinc/91/18/81/556911881.db2.gz HAUQJXHXMAZAOG-UHFFFAOYSA-N 0 0 437.571 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556915313 /nfs/dbraw/zinc/91/53/13/556915313.db2.gz BXKTWESEZYQVSZ-MOSHPQCFSA-N 0 0 444.339 6.532 40 0 IKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)NC2CCCCC2)o1 ZINC000409005556 556915810 /nfs/dbraw/zinc/91/58/10/556915810.db2.gz FTPULYVHIXYXRL-LLVKDONJSA-N 0 0 430.357 5.057 40 0 IKABRN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)NC2CCCCC2)o1 ZINC000409005557 556915843 /nfs/dbraw/zinc/91/58/43/556915843.db2.gz FTPULYVHIXYXRL-NSHDSACASA-N 0 0 430.357 5.057 40 0 IKABRN Brc1ccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1 ZINC000409006444 556916248 /nfs/dbraw/zinc/91/62/48/556916248.db2.gz JNIKEDDSMBTQOD-UHFFFAOYSA-N 0 0 431.355 5.582 40 0 IKABRN NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CCC2CCCCC2)CC1 ZINC000072345087 556916580 /nfs/dbraw/zinc/91/65/80/556916580.db2.gz QNKBFHFFEYWQLO-UHFFFAOYSA-N 0 0 438.637 5.412 40 0 IKABRN Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000072345311 556916754 /nfs/dbraw/zinc/91/67/54/556916754.db2.gz ZHTGIEXBBJQLCC-UHFFFAOYSA-N 0 0 446.635 5.482 40 0 IKABRN O=C(COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1)Nc1ccccc1 ZINC000409003748 556916963 /nfs/dbraw/zinc/91/69/63/556916963.db2.gz UPZXUGZYJHHDTH-UHFFFAOYSA-N 0 0 445.544 5.350 40 0 IKABRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000072345982 556917201 /nfs/dbraw/zinc/91/72/01/556917201.db2.gz XSXMVRXBSYCTKP-QGZVFWFLSA-N 0 0 432.490 5.031 40 0 IKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000409010248 556917654 /nfs/dbraw/zinc/91/76/54/556917654.db2.gz BFMFNDXTXZTTOS-HIQXPHMNSA-N 0 0 447.556 6.262 40 0 IKABRN COc1ccc(CCCc2nnc(SCC(=O)Nc3cccc4ccccc43)o2)cc1 ZINC000409012474 556918682 /nfs/dbraw/zinc/91/86/82/556918682.db2.gz IFKVNRNGWLOWMD-UHFFFAOYSA-N 0 0 433.533 5.138 40 0 IKABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000409012696 556918714 /nfs/dbraw/zinc/91/87/14/556918714.db2.gz RIGNCQANVNEMMW-XBDQXEDDSA-N 0 0 440.304 5.241 40 0 IKABRN O=C1S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1CCc1ccccc1 ZINC000409008438 556919076 /nfs/dbraw/zinc/91/90/76/556919076.db2.gz YNQRLDFQUHVJOI-KQWNVCNZSA-N 0 0 449.959 6.198 40 0 IKABRN COc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 ZINC000072349667 556919688 /nfs/dbraw/zinc/91/96/88/556919688.db2.gz AELPNMUYNIZZLT-FQEVSTJZSA-N 0 0 425.532 5.187 40 0 IKABRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(Sc3ccccc3)o2)C1=O ZINC000409018487 556919768 /nfs/dbraw/zinc/91/97/68/556919768.db2.gz WZZDQXJWSJDCLO-KBVGCWLLSA-N 0 0 438.368 6.028 40 0 IKABRN COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 ZINC000072349666 556919750 /nfs/dbraw/zinc/91/97/50/556919750.db2.gz AELPNMUYNIZZLT-HXUWFJFHSA-N 0 0 425.532 5.187 40 0 IKABRN Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349840 556919756 /nfs/dbraw/zinc/91/97/56/556919756.db2.gz UOCAFAVLIFSJHH-INIZCTEOSA-N 0 0 431.483 5.552 40 0 IKABRN O=C1C[C@H](c2ccco2)Cc2c1c(Nc1cccc(C(F)(F)F)c1)nn2-c1ccccc1 ZINC000019817287 556919909 /nfs/dbraw/zinc/91/99/09/556919909.db2.gz 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ZINC000072375391 556951060 /nfs/dbraw/zinc/95/10/60/556951060.db2.gz POGSDWXKBFUSOB-FQEVSTJZSA-N 0 0 432.597 5.858 40 0 IKABRN CCCN1C(=O)C(=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)NC1=S ZINC000409088750 556951069 /nfs/dbraw/zinc/95/10/69/556951069.db2.gz XZOYBJCHOUQLMW-YVLHZVERSA-N 0 0 439.339 5.179 40 0 IKABRN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)n2)n1 ZINC000072375491 556951262 /nfs/dbraw/zinc/95/12/62/556951262.db2.gz CQSUJTZWWNQCDQ-NRFANRHFSA-N 0 0 446.942 5.344 40 0 IKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2F)cc1 ZINC000409089678 556951307 /nfs/dbraw/zinc/95/13/07/556951307.db2.gz ORDAVVBBSBRHOT-UHFFFAOYSA-N 0 0 446.551 5.290 40 0 IKABRN Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)c3c(C)oc4c3CCCC4)n2)sc1C ZINC000072375474 556951346 /nfs/dbraw/zinc/95/13/46/556951346.db2.gz UHDJJXNFTNPIKA-LJQANCHMSA-N 0 0 436.581 5.656 40 0 IKABRN Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)c3c(C)oc4c3CCCC4)n2)sc1C ZINC000072375473 556951401 /nfs/dbraw/zinc/95/14/01/556951401.db2.gz UHDJJXNFTNPIKA-IBGZPJMESA-N 0 0 436.581 5.656 40 0 IKABRN CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2)s1 ZINC000072375563 556951850 /nfs/dbraw/zinc/95/18/50/556951850.db2.gz CIPSFBNPLPJJJX-FQEVSTJZSA-N 0 0 446.580 5.017 40 0 IKABRN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2)n1 ZINC000072375559 556951919 /nfs/dbraw/zinc/95/19/19/556951919.db2.gz HFEMDRFLMBLDFG-QHCPKHFHSA-N 0 0 440.551 5.010 40 0 IKABRN CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)s1 ZINC000072375651 556952215 /nfs/dbraw/zinc/95/22/15/556952215.db2.gz LMQUXXSJLTYJRW-IBGZPJMESA-N 0 0 439.560 5.065 40 0 IKABRN Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 ZINC000409104462 556952874 /nfs/dbraw/zinc/95/28/74/556952874.db2.gz IXZOQFAUQCEXJP-UHFFFAOYSA-N 0 0 435.980 6.376 40 0 IKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 ZINC000409104434 556952973 /nfs/dbraw/zinc/95/29/73/556952973.db2.gz IRPYVHXPFAPTNY-UHFFFAOYSA-N 0 0 447.991 6.049 40 0 IKABRN Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)c3ccc4[nH]c(C(C)C)nc4c3)n2)n1 ZINC000072375806 556953011 /nfs/dbraw/zinc/95/30/11/556953011.db2.gz XVJQQVUPPHAJKE-HXUWFJFHSA-N 0 0 446.580 5.567 40 0 IKABRN Cc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1-c1ccc(Cl)cc1 ZINC000409096787 556953159 /nfs/dbraw/zinc/95/31/59/556953159.db2.gz FAEYEKJDMZXUSI-UHFFFAOYSA-N 0 0 427.744 5.267 40 0 IKABRN Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)n2)sc1C ZINC000072375853 556953323 /nfs/dbraw/zinc/95/33/23/556953323.db2.gz ZOJSZMRZEHCDQD-FQEVSTJZSA-N 0 0 438.572 5.679 40 0 IKABRN CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409097642 556953481 /nfs/dbraw/zinc/95/34/81/556953481.db2.gz NAOUMRSPBKNPFS-UHFFFAOYSA-N 0 0 449.407 5.563 40 0 IKABRN COc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)cc1 ZINC000072375889 556953669 /nfs/dbraw/zinc/95/36/69/556953669.db2.gz SKGUJDMAOIRMEE-QFIPXVFZSA-N 0 0 430.552 5.179 40 0 IKABRN Cc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000409097883 556953762 /nfs/dbraw/zinc/95/37/62/556953762.db2.gz MUUPAJPUKGJSKC-UHFFFAOYSA-N 0 0 427.744 5.267 40 0 IKABRN CCOc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccccc2)cc1 ZINC000409099249 556954379 /nfs/dbraw/zinc/95/43/79/556954379.db2.gz KJYUPFOELOIEEM-UHFFFAOYSA-N 0 0 437.568 6.779 40 0 IKABRN COCc1cc(CN2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)ccc1OC(C)C ZINC000072376455 556954820 /nfs/dbraw/zinc/95/48/20/556954820.db2.gz ZNAMJNMPOSNKGR-HSZRJFAPSA-N 0 0 447.583 5.194 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccccc2)c1 ZINC000409099784 556954933 /nfs/dbraw/zinc/95/49/33/556954933.db2.gz UECPUGWJNLDMCM-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)cc1Cl ZINC000409099883 556954948 /nfs/dbraw/zinc/95/49/48/556954948.db2.gz MNBABJMOJBDTTR-UHFFFAOYSA-N 0 0 428.989 5.218 40 0 IKABRN Cc1cccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccc(Cl)cc2)c1 ZINC000409100050 556955002 /nfs/dbraw/zinc/95/50/02/556955002.db2.gz UNAWFAARVGQPHC-UHFFFAOYSA-N 0 0 426.372 6.842 40 0 IKABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc(-c3ccccc3)cc1)N2 ZINC000409100713 556955197 /nfs/dbraw/zinc/95/51/97/556955197.db2.gz WECOZJZMIRGIBJ-REHUZNOOSA-N 0 0 444.497 5.879 40 0 IKABRN Clc1ccc(-c2nnc(SCCCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000409100756 556955572 /nfs/dbraw/zinc/95/55/72/556955572.db2.gz UYGUJOHJQXNSID-UHFFFAOYSA-N 0 0 440.399 6.966 40 0 IKABRN COc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409101409 556955755 /nfs/dbraw/zinc/95/57/55/556955755.db2.gz BRIDRHYQMGXIPN-UHFFFAOYSA-N 0 0 442.371 6.542 40 0 IKABRN Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)C2CCCCC2)n1 ZINC000072376881 556955765 /nfs/dbraw/zinc/95/57/65/556955765.db2.gz RULSLJWJIGAWMM-IBGZPJMESA-N 0 0 432.490 5.379 40 0 IKABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 ZINC000072377268 556956227 /nfs/dbraw/zinc/95/62/27/556956227.db2.gz LDIVVEWKZSKZGG-NRFANRHFSA-N 0 0 438.934 5.205 40 0 IKABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1C ZINC000409102523 556956335 /nfs/dbraw/zinc/95/63/35/556956335.db2.gz AUWOKOANRQKJMZ-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN CCOc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 ZINC000409109335 556956853 /nfs/dbraw/zinc/95/68/53/556956853.db2.gz BVQBWODRNCKDHW-UHFFFAOYSA-N 0 0 426.354 6.347 40 0 IKABRN Cc1cccc(NCc2ccc(OCc3cccc4ccccc43)c(Br)c2)c1C ZINC000409109669 556957126 /nfs/dbraw/zinc/95/71/26/556957126.db2.gz JAWWMTJKIHOORF-UHFFFAOYSA-N 0 0 446.388 7.410 40 0 IKABRN Cc1cccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)c1C ZINC000409109895 556957130 /nfs/dbraw/zinc/95/71/30/556957130.db2.gz NNADDCYLBOKQFU-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409109872 556957140 /nfs/dbraw/zinc/95/71/40/556957140.db2.gz NAYFCRGCTQGIMK-UHFFFAOYSA-N 0 0 445.968 5.654 40 0 IKABRN Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000409110493 556957359 /nfs/dbraw/zinc/95/73/59/556957359.db2.gz CRLKEFDKKZMICS-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409111152 556957604 /nfs/dbraw/zinc/95/76/04/556957604.db2.gz ANRKFCINFZAGCL-UHFFFAOYSA-N 0 0 448.514 5.275 40 0 IKABRN CCc1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 ZINC000409111861 556957845 /nfs/dbraw/zinc/95/78/45/556957845.db2.gz CRIBXCHYAXGKOA-UHFFFAOYSA-N 0 0 430.773 6.856 40 0 IKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c2ccccc21 ZINC000409111702 556957900 /nfs/dbraw/zinc/95/79/00/556957900.db2.gz DZNNHXWNXLETAC-HMAPJEAMSA-N 0 0 438.354 6.870 40 0 IKABRN CCCN1c2ccccc2/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000409112876 556958068 /nfs/dbraw/zinc/95/80/68/556958068.db2.gz MDCFXTMYPDPEQL-ITYLOYPMSA-N 0 0 449.550 6.725 40 0 IKABRN Cc1ccc(NCc2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409113397 556958301 /nfs/dbraw/zinc/95/83/01/556958301.db2.gz APQBXHYLFFQCMJ-UHFFFAOYSA-N 0 0 446.366 5.446 40 0 IKABRN CCc1cccc(C)c1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000409113319 556958342 /nfs/dbraw/zinc/95/83/42/556958342.db2.gz HLRDVGKXTCPJDR-UHFFFAOYSA-N 0 0 436.577 5.008 40 0 IKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2)cc1C ZINC000409106014 556958916 /nfs/dbraw/zinc/95/89/16/556958916.db2.gz PXUMWFNSMPEMAW-UHFFFAOYSA-N 0 0 428.561 5.206 40 0 IKABRN COc1ccc(/C=C(/C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2)cc1 ZINC000409116511 556959867 /nfs/dbraw/zinc/95/98/67/556959867.db2.gz PMZFBMFYHFHJGA-XIEYBQDHSA-N 0 0 446.978 5.546 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nnc2-c2ccncc2)c1 ZINC000409108577 556959928 /nfs/dbraw/zinc/95/99/28/556959928.db2.gz WZIOCWBVXSOGRM-UHFFFAOYSA-N 0 0 449.967 5.330 40 0 IKABRN COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409116821 556960181 /nfs/dbraw/zinc/96/01/81/556960181.db2.gz MTNZHWPHAFIRQZ-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)c2ccccc21 ZINC000409118015 556960448 /nfs/dbraw/zinc/96/04/48/556960448.db2.gz MOXUWIISJIOYAW-JWGURIENSA-N 0 0 447.962 6.615 40 0 IKABRN Cc1ccc(C)c(NCc2ccc(OCc3cccc4ccccc43)c(Br)c2)c1 ZINC000409118233 556960569 /nfs/dbraw/zinc/96/05/69/556960569.db2.gz SYALKROFHLYGFM-UHFFFAOYSA-N 0 0 446.388 7.410 40 0 IKABRN c1ccc(Oc2ccc(NCc3cccc(OCc4cccc5ccccc54)c3)cc2)cc1 ZINC000409119317 556960837 /nfs/dbraw/zinc/96/08/37/556960837.db2.gz SVOKWVVJZJIOMC-UHFFFAOYSA-N 0 0 431.535 7.823 40 0 IKABRN CCOc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccccc1 ZINC000409118898 556960855 /nfs/dbraw/zinc/96/08/55/556960855.db2.gz OWMGSOGPSSYNSI-UHFFFAOYSA-N 0 0 426.354 6.347 40 0 IKABRN COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)ccc1OCc1cccc(F)c1 ZINC000409119307 556960870 /nfs/dbraw/zinc/96/08/70/556960870.db2.gz WBNPLCFIRUVRCZ-UCQKPKSFSA-N 0 0 431.507 5.957 40 0 IKABRN CCCOc1c(I)cc(CNc2ccccc2CC)cc1OC ZINC000409118988 556960875 /nfs/dbraw/zinc/96/08/75/556960875.db2.gz VLVHUZPXEAKZCG-UHFFFAOYSA-N 0 0 425.310 5.263 40 0 IKABRN COc1ccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(C(F)(F)F)n3)CC2)cc1 ZINC000072390476 556960891 /nfs/dbraw/zinc/96/08/91/556960891.db2.gz 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/nfs/dbraw/zinc/00/60/40/557006040.db2.gz PAOWGPVCWNLRPB-UHFFFAOYSA-N 0 0 442.903 5.710 40 0 IKABRN O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1CCc1ccccc1 ZINC000409212670 557007281 /nfs/dbraw/zinc/00/72/81/557007281.db2.gz RNNJBCRKJMYHKV-XQNSMLJCSA-N 0 0 433.504 5.684 40 0 IKABRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000409213502 557008083 /nfs/dbraw/zinc/00/80/83/557008083.db2.gz PIRSVKXRIYNDJU-JCMHNJIXSA-N 0 0 443.540 6.030 40 0 IKABRN Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000409192717 557010266 /nfs/dbraw/zinc/01/02/66/557010266.db2.gz ZPPVUIFSSDWDHH-LDADJPATSA-N 0 0 427.934 6.634 40 0 IKABRN Cc1c(-c2nc3ccccc3s2)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409192242 557010350 /nfs/dbraw/zinc/01/03/50/557010350.db2.gz VYKXNXHVVAQMIJ-UHFFFAOYSA-N 0 0 433.374 7.037 40 0 IKABRN Clc1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)cc1 ZINC000409194247 557010543 /nfs/dbraw/zinc/01/05/43/557010543.db2.gz IPRJCQBHNWYLJI-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(C)c(Cl)c3)n2C)cc1 ZINC000409194298 557010804 /nfs/dbraw/zinc/01/08/04/557010804.db2.gz JQRGBGZDVVBPCO-RFBIWTDZSA-N 0 0 432.976 6.432 40 0 IKABRN CCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409196809 557010863 /nfs/dbraw/zinc/01/08/63/557010863.db2.gz REEJNFKJGVHYQI-UHFFFAOYSA-N 0 0 447.387 6.671 40 0 IKABRN Fc1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc32)cc1 ZINC000409196587 557010866 /nfs/dbraw/zinc/01/08/66/557010866.db2.gz PYYUBSWFDHIAHM-UHFFFAOYSA-N 0 0 436.324 6.933 40 0 IKABRN Fc1ccc(COc2c(Cl)cc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 ZINC000409196592 557010892 /nfs/dbraw/zinc/01/08/92/557010892.db2.gz QDBPVOTUHJFUAW-UHFFFAOYSA-N 0 0 445.148 7.630 40 0 IKABRN Fc1ccccc1OCCn1cc(C(=S)N2CCc3ccccc3C2)c2ccccc21 ZINC000409196626 557010896 /nfs/dbraw/zinc/01/08/96/557010896.db2.gz WYRVMHYIZVFPRO-UHFFFAOYSA-N 0 0 430.548 5.593 40 0 IKABRN COc1ccc(-c2s/c(=N\C(=O)c3ccc(F)cc3)n(C)c2-c2ccc(OC)cc2)cc1 ZINC000409197468 557012286 /nfs/dbraw/zinc/01/22/86/557012286.db2.gz GEXLBWUCJRKCFD-RFBIWTDZSA-N 0 0 448.519 5.318 40 0 IKABRN CC(C)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000409217613 557012292 /nfs/dbraw/zinc/01/22/92/557012292.db2.gz DRDZOTDVBDCLJZ-YBFXNURJSA-N 0 0 444.350 5.492 40 0 IKABRN Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4C)cc3)C(=O)O2)cc1Cl ZINC000409197404 557012350 /nfs/dbraw/zinc/01/23/50/557012350.db2.gz DRUUTSWBDFQYDG-XKZIYDEJSA-N 0 0 431.875 5.521 40 0 IKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(Cl)c3)n2C)cc1 ZINC000409197631 557012459 /nfs/dbraw/zinc/01/24/59/557012459.db2.gz KTTSMWNCNMOZMA-LCUIJRPUSA-N 0 0 434.948 5.824 40 0 IKABRN COc1ccc(-c2s/c(=N\C(=O)c3cccs3)n(C)c2-c2ccc(OC)cc2)cc1 ZINC000409197650 557012501 /nfs/dbraw/zinc/01/25/01/557012501.db2.gz LJAOSIVEINYWPS-VHXPQNKSSA-N 0 0 436.558 5.240 40 0 IKABRN COc1cccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409198574 557012728 /nfs/dbraw/zinc/01/27/28/557012728.db2.gz CEAJKZAFTRHPIT-KGENOOAVSA-N 0 0 448.906 5.021 40 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/nfs/dbraw/zinc/01/39/52/557013952.db2.gz KDBPKRVHZJBSTQ-UHFFFAOYSA-N 0 0 438.597 5.074 40 0 IKABRN COc1ccccc1OCCn1cc(C(=S)N2CCc3ccccc3C2)c2ccccc21 ZINC000409201061 557014084 /nfs/dbraw/zinc/01/40/84/557014084.db2.gz USOSDIUVMQFSSS-UHFFFAOYSA-N 0 0 442.584 5.463 40 0 IKABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C1=O ZINC000409202188 557014612 /nfs/dbraw/zinc/01/46/12/557014612.db2.gz PUFZFCISLZJKDK-FMNVXAMXSA-N 0 0 431.535 5.117 40 0 IKABRN C[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000409203297 557014910 /nfs/dbraw/zinc/01/49/10/557014910.db2.gz VIBBYCDJLGTVGV-YQNUULROSA-N 0 0 444.940 5.037 40 0 IKABRN C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000409203294 557014925 /nfs/dbraw/zinc/01/49/25/557014925.db2.gz VIBBYCDJLGTVGV-VCRXTVNUSA-N 0 0 444.940 5.037 40 0 IKABRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC(C)C ZINC000409203334 557014950 /nfs/dbraw/zinc/01/49/50/557014950.db2.gz VPORDGNQTUCXEZ-RQZCQDPDSA-N 0 0 438.332 6.030 40 0 IKABRN COc1ccc(OCCn2cc(C(=S)N3CCc4ccccc4C3)c3ccccc32)cc1 ZINC000409204056 557015222 /nfs/dbraw/zinc/01/52/22/557015222.db2.gz CFRICKGOEMLORX-UHFFFAOYSA-N 0 0 442.584 5.463 40 0 IKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)cc3)n2C)cc1C ZINC000409204763 557015567 /nfs/dbraw/zinc/01/55/67/557015567.db2.gz KAJLKTGNWUUAKI-RFBIWTDZSA-N 0 0 432.976 6.432 40 0 IKABRN Brc1ccc(COc2ccccc2CNc2ccc(Br)cc2)cc1 ZINC000409205105 557015597 /nfs/dbraw/zinc/01/55/97/557015597.db2.gz LVAYEVRIVWCZRN-UHFFFAOYSA-N 0 0 447.170 6.403 40 0 IKABRN Clc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl ZINC000409205935 557015769 /nfs/dbraw/zinc/01/57/69/557015769.db2.gz RJWDJIHIVOBDDM-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN Clc1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1Cl ZINC000409206129 557016090 /nfs/dbraw/zinc/01/60/90/557016090.db2.gz VIKCXJWFXXEAPN-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN COc1cc(Br)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1O ZINC000409220222 557016219 /nfs/dbraw/zinc/01/62/19/557016219.db2.gz ZOJQDVOHWDGODO-MKMNVTDBSA-N 0 0 440.702 5.058 40 0 IKABRN O=C(CC[C@@H](O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 ZINC000409206326 557016251 /nfs/dbraw/zinc/01/62/51/557016251.db2.gz UNHUJCFDANIFNY-OAQYLSRUSA-N 0 0 448.975 6.583 40 0 IKABRN COc1cc(Br)cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c1OC ZINC000409207693 557016761 /nfs/dbraw/zinc/01/67/61/557016761.db2.gz XQHBFIRAUILMNE-CPNJWEJPSA-N 0 0 436.305 5.685 40 0 IKABRN CC(C)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409223050 557017419 /nfs/dbraw/zinc/01/74/19/557017419.db2.gz YQGHKIUOYGASHC-YBFXNURJSA-N 0 0 444.940 5.050 40 0 IKABRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 ZINC000409222608 557017470 /nfs/dbraw/zinc/01/74/70/557017470.db2.gz CHRDMRBRFQYXGV-UNOMPAQXSA-N 0 0 437.293 5.110 40 0 IKABRN Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCC[C@@H]2C)cc1C ZINC000409208281 557018596 /nfs/dbraw/zinc/01/85/96/557018596.db2.gz BVCFRLSAJPLVEK-NRFANRHFSA-N 0 0 448.636 5.162 40 0 IKABRN CCC(C)(C)C(=O)[C@@H]1[C@@](O)(C(C)(C)CC)C=C(c2ccccc2)C[C@]1(C)c1ccccc1 ZINC000100451001 557021771 /nfs/dbraw/zinc/02/17/71/557021771.db2.gz JYXYBEIHSGHFQN-AWJLRTIGSA-N 0 0 432.648 7.220 40 0 IKABRN CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c2ccccc21 ZINC000409230284 557021951 /nfs/dbraw/zinc/02/19/51/557021951.db2.gz CXLBMUIWUWIRDG-KEBDBYFISA-N 0 0 437.496 5.036 40 0 IKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000409231236 557022894 /nfs/dbraw/zinc/02/28/94/557022894.db2.gz ISJGGSDSULYUMJ-OEAKJJBVSA-N 0 0 432.907 5.320 40 0 IKABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cccc(Br)c4)o3)C2=O)c1 ZINC000409245676 557027346 /nfs/dbraw/zinc/02/73/46/557027346.db2.gz XKWJRJXAEIVFOH-XDHOZWIPSA-N 0 0 437.293 5.110 40 0 IKABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409245882 557027579 /nfs/dbraw/zinc/02/75/79/557027579.db2.gz AJUMQJYMRJHXSZ-YXHQGMJNSA-N 0 0 435.307 5.277 40 0 IKABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409245881 557027604 /nfs/dbraw/zinc/02/76/04/557027604.db2.gz AJUMQJYMRJHXSZ-VAKHEIKFSA-N 0 0 435.307 5.277 40 0 IKABRN CCc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCC[C@H]2C)cc1 ZINC000409215400 557028315 /nfs/dbraw/zinc/02/83/15/557028315.db2.gz XWAJXWZKOVCDND-HXUWFJFHSA-N 0 0 448.636 5.108 40 0 IKABRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O ZINC000409248185 557029237 /nfs/dbraw/zinc/02/92/37/557029237.db2.gz GPRSEQVXTMYECC-PXLXIMEGSA-N 0 0 430.504 5.120 40 0 IKABRN COc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1ccccc1Br ZINC000409248503 557029530 /nfs/dbraw/zinc/02/95/30/557029530.db2.gz GVUONOGAAQUXPA-UHFFFAOYSA-N 0 0 440.318 5.954 40 0 IKABRN COCCN1C(=O)S/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)C1=O ZINC000409215519 557029773 /nfs/dbraw/zinc/02/97/73/557029773.db2.gz AJEXKPRZGFNRAI-WOJGMQOQSA-N 0 0 438.332 5.255 40 0 IKABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000408527373 557030127 /nfs/dbraw/zinc/03/01/27/557030127.db2.gz DIZJJMNWRGIXHM-IIMQCXAKSA-N 0 0 447.597 5.365 40 0 IKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409215617 557030177 /nfs/dbraw/zinc/03/01/77/557030177.db2.gz CJUGZPBXPBZVDD-XDHOZWIPSA-N 0 0 429.328 6.333 40 0 IKABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O ZINC000408530313 557030604 /nfs/dbraw/zinc/03/06/04/557030604.db2.gz KELCHNNXMBZFPL-ZHZULCJRSA-N 0 0 441.574 5.526 40 0 IKABRN CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)cc1 ZINC000408532577 557031558 /nfs/dbraw/zinc/03/15/58/557031558.db2.gz ZXRRZPFMSNZDOQ-UHFFFAOYSA-N 0 0 440.499 6.334 40 0 IKABRN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000408533755 557032290 /nfs/dbraw/zinc/03/22/90/557032290.db2.gz QMQHDEWIKYBFDL-JOCHJYFZSA-N 0 0 436.577 5.003 40 0 IKABRN CCOc1cc(COc2c(Cl)cc(C=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540109 557033885 /nfs/dbraw/zinc/03/38/85/557033885.db2.gz NEQVPSPEZDUFOD-UHFFFAOYSA-N 0 0 426.896 5.718 40 0 IKABRN CCN(CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)c1ccccc1 ZINC000408545767 557034274 /nfs/dbraw/zinc/03/42/74/557034274.db2.gz AASVRJKGXGHYPR-UHFFFAOYSA-N 0 0 447.604 5.022 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408549973 557035174 /nfs/dbraw/zinc/03/51/74/557035174.db2.gz ADOPYDHQOBVRMM-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN COc1cc(CNc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409257484 557035334 /nfs/dbraw/zinc/03/53/34/557035334.db2.gz POYFXRCYKPEGSX-UHFFFAOYSA-N 0 0 438.955 5.903 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)c1 ZINC000408549404 557035307 /nfs/dbraw/zinc/03/53/07/557035307.db2.gz YZDLQQZTFFINNU-UHFFFAOYSA-N 0 0 436.577 5.788 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)cc1 ZINC000408546764 557035700 /nfs/dbraw/zinc/03/57/00/557035700.db2.gz VHEFFTRADDPJHU-UHFFFAOYSA-N 0 0 448.466 5.375 40 0 IKABRN CCN(C(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000408546640 557035770 /nfs/dbraw/zinc/03/57/70/557035770.db2.gz KUNBGBPZYKLTIA-UHFFFAOYSA-N 0 0 447.482 5.316 40 0 IKABRN Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c(C)c1 ZINC000408546878 557035810 /nfs/dbraw/zinc/03/58/10/557035810.db2.gz WRCWAHUBBJENRG-UHFFFAOYSA-N 0 0 436.577 5.590 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408553860 557036027 /nfs/dbraw/zinc/03/60/27/557036027.db2.gz PYAQNHGLELYBGL-UHFFFAOYSA-N 0 0 425.912 5.887 40 0 IKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1OC ZINC000408553704 557036325 /nfs/dbraw/zinc/03/63/25/557036325.db2.gz BMAVXLHEVXVMHK-UHFFFAOYSA-N 0 0 440.927 5.377 40 0 IKABRN COc1ccccc1NC(=O)COc1ccc(CNc2ccccc2)cc1Br ZINC000408553590 557036331 /nfs/dbraw/zinc/03/63/31/557036331.db2.gz AUUJRTKHAGAKBL-UHFFFAOYSA-N 0 0 441.325 5.087 40 0 IKABRN CC(C)(C)c1cc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1O ZINC000408551099 557036369 /nfs/dbraw/zinc/03/63/69/557036369.db2.gz BCMARHCXMFGNBH-UHFFFAOYSA-N 0 0 440.436 7.025 40 0 IKABRN CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1c(Cl)cccc1Cl ZINC000409258593 557036384 /nfs/dbraw/zinc/03/63/84/557036384.db2.gz UVEZHKIYWPWILS-UHFFFAOYSA-N 0 0 441.314 6.287 40 0 IKABRN O=C1S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1c1ccccc1 ZINC000409220941 557036400 /nfs/dbraw/zinc/03/64/00/557036400.db2.gz ICPJLWDTIUVNAW-HZHRSRAPSA-N 0 0 428.488 6.070 40 0 IKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408553751 557036415 /nfs/dbraw/zinc/03/64/15/557036415.db2.gz BPQHRCFMWPTXEA-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN O=C(COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408551508 557036427 /nfs/dbraw/zinc/03/64/27/557036427.db2.gz DHQLNQCTSOWKHQ-WQRHYEAKSA-N 0 0 439.298 5.504 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)NC1CCCCC1 ZINC000408553320 557036561 /nfs/dbraw/zinc/03/65/61/557036561.db2.gz VAMKXAGIEMKYJT-UHFFFAOYSA-N 0 0 441.380 5.165 40 0 IKABRN CCCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC ZINC000408554275 557036636 /nfs/dbraw/zinc/03/66/36/557036636.db2.gz CEOBOOYVAZVXQY-FQEVSTJZSA-N 0 0 426.365 5.960 40 0 IKABRN COc1cc(C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(C)cc1 ZINC000408552178 557036641 /nfs/dbraw/zinc/03/66/41/557036641.db2.gz HVJJPEPNNRTPKL-UHFFFAOYSA-N 0 0 444.300 5.737 40 0 IKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1 ZINC000408554336 557036948 /nfs/dbraw/zinc/03/69/48/557036948.db2.gz DHGALJLKQRBXPO-UHFFFAOYSA-N 0 0 438.955 5.849 40 0 IKABRN COc1cc(C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408554709 557036978 /nfs/dbraw/zinc/03/69/78/557036978.db2.gz TWXXDOMMFDZPIN-UHFFFAOYSA-N 0 0 440.337 5.906 40 0 IKABRN O=C1CS[C@@H](c2cc(Cl)ccc2OCc2ccccc2F)N1c1ccc(Cl)cc1 ZINC000408555061 557036994 /nfs/dbraw/zinc/03/69/94/557036994.db2.gz FQLNCFIJTPVEPB-QFIPXVFZSA-N 0 0 448.346 6.490 40 0 IKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000408556809 557037452 /nfs/dbraw/zinc/03/74/52/557037452.db2.gz LTHDTXPBZVAFIF-UHFFFAOYSA-N 0 0 440.927 5.377 40 0 IKABRN O=C1CS[C@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000408557222 557037479 /nfs/dbraw/zinc/03/74/79/557037479.db2.gz 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ZINC000408557412 557037802 /nfs/dbraw/zinc/03/78/02/557037802.db2.gz NGHUUMJJMQCBEM-QFIPXVFZSA-N 0 0 430.356 6.351 40 0 IKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1F ZINC000408558008 557038123 /nfs/dbraw/zinc/03/81/23/557038123.db2.gz RJTVTGWAJAMCFN-UHFFFAOYSA-N 0 0 428.891 5.507 40 0 IKABRN O=C1CS[C@H](c2ccc(OCc3ccccc3Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408558065 557038161 /nfs/dbraw/zinc/03/81/61/557038161.db2.gz PMYVZHJOMZGNFU-JOCHJYFZSA-N 0 0 430.356 6.351 40 0 IKABRN O=C1CS[C@@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408558507 557038165 /nfs/dbraw/zinc/03/81/65/557038165.db2.gz RPEIWGNGXYPLBA-QFIPXVFZSA-N 0 0 448.346 6.490 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1NC(=O)c1ccccc1C ZINC000408558978 557038505 /nfs/dbraw/zinc/03/85/05/557038505.db2.gz UUTPRQWJVOAQHU-UHFFFAOYSA-N 0 0 446.528 5.210 40 0 IKABRN CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408559625 557038733 /nfs/dbraw/zinc/03/87/33/557038733.db2.gz AGZWZRKOUXHVTB-ATJXCDBQSA-N 0 0 449.801 5.956 40 0 IKABRN CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408563682 557038738 /nfs/dbraw/zinc/03/87/38/557038738.db2.gz WOVLEMAYOSUFCB-LNVKXUELSA-N 0 0 445.382 5.311 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408554185 557038852 /nfs/dbraw/zinc/03/88/52/557038852.db2.gz QPIRXNAPEGCESN-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN Cc1cccc(NCc2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)c1 ZINC000409265479 557039144 /nfs/dbraw/zinc/03/91/44/557039144.db2.gz SUUKXPKWQWIPTG-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccc(Br)cc1 ZINC000408560944 557039722 /nfs/dbraw/zinc/03/97/22/557039722.db2.gz FZOIJCYHVSTJSC-UHFFFAOYSA-N 0 0 427.245 5.844 40 0 IKABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000408561211 557039729 /nfs/dbraw/zinc/03/97/29/557039729.db2.gz ZDGYWERAGXPNSF-UHFFFAOYSA-N 0 0 444.604 5.698 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408561087 557039735 /nfs/dbraw/zinc/03/97/35/557039735.db2.gz GMUZGLMDYHOYLR-SGEDCAFJSA-N 0 0 434.649 6.844 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1CC ZINC000408561007 557039748 /nfs/dbraw/zinc/03/97/48/557039748.db2.gz ULNZXFSVXQPGGD-UHFFFAOYSA-N 0 0 444.604 5.644 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(C)cc1 ZINC000408561306 557039749 /nfs/dbraw/zinc/03/97/49/557039749.db2.gz HNSLAGIHQKXBQM-LVWGJNHUSA-N 0 0 433.404 6.545 40 0 IKABRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(Br)cc1 ZINC000408561975 557039942 /nfs/dbraw/zinc/03/99/42/557039942.db2.gz MGUCKKPTJZONGQ-QOCHGBHMSA-N 0 0 435.774 5.702 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccccc1 ZINC000408561957 557039952 /nfs/dbraw/zinc/03/99/52/557039952.db2.gz MATKESPQZACQIE-LNVKXUELSA-N 0 0 429.383 5.693 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408561363 557040021 /nfs/dbraw/zinc/04/00/21/557040021.db2.gz IIAJJBSIAAWCGN-FLFQWRMESA-N 0 0 447.373 5.832 40 0 IKABRN CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409259907 557040138 /nfs/dbraw/zinc/04/01/38/557040138.db2.gz HMNMGPATHFSEST-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408562905 557040431 /nfs/dbraw/zinc/04/04/31/557040431.db2.gz SFRIMOZFNHOTBP-GYHWCHFESA-N 0 0 430.957 5.211 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1 ZINC000408571617 557040713 /nfs/dbraw/zinc/04/07/13/557040713.db2.gz BYHRYVRMJXFVAD-UHFFFAOYSA-N 0 0 440.008 6.345 40 0 IKABRN COc1cccc(C(=S)NC[C@H]2CCCO2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408571672 557040781 /nfs/dbraw/zinc/04/07/81/557040781.db2.gz CGIRVNQBRXQAQT-CQSZACIVSA-N 0 0 426.365 5.025 40 0 IKABRN O=C(Nc1ccccc1Sc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000409261092 557040838 /nfs/dbraw/zinc/04/08/38/557040838.db2.gz BBDOYZVIAHLZNB-FCDQGJHFSA-N 0 0 441.983 7.671 40 0 IKABRN CCN1CCN(C(=S)c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000408572026 557040905 /nfs/dbraw/zinc/04/09/05/557040905.db2.gz DWWKVQDUFSPYDY-UHFFFAOYSA-N 0 0 443.827 5.539 40 0 IKABRN COc1cccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)c1 ZINC000408572235 557041035 /nfs/dbraw/zinc/04/10/35/557041035.db2.gz FTHRVDKXFJIJER-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408572230 557041044 /nfs/dbraw/zinc/04/10/44/557041044.db2.gz FTCYSHAFHNLINS-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN CCOc1cc(C(=S)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408572631 557041059 /nfs/dbraw/zinc/04/10/59/557041059.db2.gz HMBJSGNVEHHTSA-QGZVFWFLSA-N 0 0 440.392 5.415 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccccc1Cl ZINC000408572136 557041103 /nfs/dbraw/zinc/04/11/03/557041103.db2.gz FIOAKRGHUFCKJT-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1cc(C(=S)NCCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408572415 557041122 /nfs/dbraw/zinc/04/11/22/557041122.db2.gz GVLQMDOEDVJSCN-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 ZINC000408572787 557041340 /nfs/dbraw/zinc/04/13/40/557041340.db2.gz IHPHLTSAEAQCMQ-UHFFFAOYSA-N 0 0 425.525 5.277 40 0 IKABRN COc1cccc(CNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1 ZINC000408571217 557041966 /nfs/dbraw/zinc/04/19/66/557041966.db2.gz AHBAIYAAEUJQDI-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 ZINC000408571287 557042285 /nfs/dbraw/zinc/04/22/85/557042285.db2.gz AWKOUKFFWTYLIM-UHFFFAOYSA-N 0 0 425.981 6.091 40 0 IKABRN CCOc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408571244 557042310 /nfs/dbraw/zinc/04/23/10/557042310.db2.gz APDHPOLWPLHGBP-MRXNPFEDSA-N 0 0 440.392 5.415 40 0 IKABRN CCOc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408571243 557042314 /nfs/dbraw/zinc/04/23/14/557042314.db2.gz APDHPOLWPLHGBP-INIZCTEOSA-N 0 0 440.392 5.415 40 0 IKABRN Fc1ccc(N2CCN(C(=S)c3ccccc3OCc3ccccc3Cl)CC2)cc1 ZINC000408571503 557042326 /nfs/dbraw/zinc/04/23/26/557042326.db2.gz BIUGWGCUHPQFED-UHFFFAOYSA-N 0 0 440.971 5.556 40 0 IKABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccc(Cl)cc1Cl ZINC000409270829 557042809 /nfs/dbraw/zinc/04/28/09/557042809.db2.gz BAKIEUSWCJVXFS-UHFFFAOYSA-N 0 0 448.162 5.816 40 0 IKABRN Fc1ccccc1N1CCN(C(=S)c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000408574801 557042951 /nfs/dbraw/zinc/04/29/51/557042951.db2.gz MTJZRRWMHUGFDN-UHFFFAOYSA-N 0 0 440.971 5.556 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)cc1 ZINC000408574739 557042968 /nfs/dbraw/zinc/04/29/68/557042968.db2.gz KUJOXZXEEBWQQA-UHFFFAOYSA-N 0 0 425.553 7.332 40 0 IKABRN COc1cccc(C(=S)NC[C@H]2CCCO2)c1OCc1c(Cl)cccc1Cl ZINC000408576767 557043127 /nfs/dbraw/zinc/04/31/27/557043127.db2.gz RASGOWMWBMZHTC-CYBMUJFWSA-N 0 0 426.365 5.025 40 0 IKABRN S=C(NCc1ccc(Cl)cc1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408574638 557043027 /nfs/dbraw/zinc/04/30/27/557043027.db2.gz MDGQNWXNJOLKFD-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl ZINC000408576732 557043064 /nfs/dbraw/zinc/04/30/64/557043064.db2.gz 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557043998 /nfs/dbraw/zinc/04/39/98/557043998.db2.gz WQLGTFMWGPGNJP-UHFFFAOYSA-N 0 0 449.197 5.246 40 0 IKABRN S=C(NC[C@H]1CCCO1)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000408578540 557044184 /nfs/dbraw/zinc/04/41/84/557044184.db2.gz YNDATMWORYIOPX-CYBMUJFWSA-N 0 0 430.784 5.670 40 0 IKABRN COc1cccc(C(=S)N2CCC(C)CC2)c1OCc1ccc(Br)cc1 ZINC000408578574 557044200 /nfs/dbraw/zinc/04/42/00/557044200.db2.gz YWDFTVLYGGQRGS-UHFFFAOYSA-N 0 0 434.399 5.444 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000408578635 557044286 /nfs/dbraw/zinc/04/42/86/557044286.db2.gz LELIPSNCOVKKPF-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN CCc1sc(C)nc1-c1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000408579048 557044534 /nfs/dbraw/zinc/04/45/34/557044534.db2.gz COQOISOVOCUXJB-UHFFFAOYSA-N 0 0 441.552 6.388 40 0 IKABRN O=c1nc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)[nH]c2sc3c(c21)CCCC3 ZINC000408582288 557044775 /nfs/dbraw/zinc/04/47/75/557044775.db2.gz MTRPYACSFVIYHE-UHFFFAOYSA-N 0 0 429.958 5.007 40 0 IKABRN 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CC(C)c1ccc(NC(=O)CN2c3ccc(Cl)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000408624360 557071599 /nfs/dbraw/zinc/07/15/99/557071599.db2.gz HDTPEGJWEDBWJU-UHFFFAOYSA-N 0 0 440.952 5.278 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OC ZINC000408625708 557071608 /nfs/dbraw/zinc/07/16/08/557071608.db2.gz XWKCORZKIDDISQ-UHFFFAOYSA-N 0 0 441.911 6.191 40 0 IKABRN CCCCCCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)N=C2N=CNN21 ZINC000408625054 557071646 /nfs/dbraw/zinc/07/16/46/557071646.db2.gz HYQJZANTVHFEGX-DEOSSOPVSA-N 0 0 445.567 5.126 40 0 IKABRN COc1cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)ccc1OCc1ccccc1 ZINC000408625062 557071653 /nfs/dbraw/zinc/07/16/53/557071653.db2.gz WRMRAAYIKXZRPB-UHFFFAOYSA-N 0 0 439.511 6.627 40 0 IKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OC ZINC000408625037 557071704 /nfs/dbraw/zinc/07/17/04/557071704.db2.gz WORIIUPRLRZZFA-UHFFFAOYSA-N 0 0 427.884 5.801 40 0 IKABRN CCOc1c(Br)cc(C(=O)Nc2ccc(Br)c(C)c2)cc1OC ZINC000408625842 557071851 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O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408709557 557129380 /nfs/dbraw/zinc/12/93/80/557129380.db2.gz UAKYQFHJZXLCRI-UHFFFAOYSA-N 0 0 446.856 5.246 40 0 IKABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=O)cc1 ZINC000409350244 557129426 /nfs/dbraw/zinc/12/94/26/557129426.db2.gz RGHAHMIRKOIQCR-HMAPJEAMSA-N 0 0 446.528 5.745 40 0 IKABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000409350574 557129554 /nfs/dbraw/zinc/12/95/54/557129554.db2.gz RTMKSJURCWPLSN-UHFFFAOYSA-N 0 0 438.597 5.150 40 0 IKABRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000408720288 557130621 /nfs/dbraw/zinc/13/06/21/557130621.db2.gz KWTCFPZJWSDUHS-VMGOQZOXSA-N 0 0 447.534 5.402 40 0 IKABRN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@H](C)O)c4)cc3N2)cc1 ZINC000102681686 557130889 /nfs/dbraw/zinc/13/08/89/557130889.db2.gz ZCLHYOSGLYGZBR-BOUXLOLZSA-N 0 0 444.457 5.157 40 0 IKABRN O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccc(Cl)cc1Cl 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Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2)c1 ZINC000409359042 557137388 /nfs/dbraw/zinc/13/73/88/557137388.db2.gz MFECGCIDWAFOEK-JCMHNJIXSA-N 0 0 444.512 5.253 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)cc2-c2cccc3ccccc32)cc1 ZINC000408726753 557137505 /nfs/dbraw/zinc/13/75/05/557137505.db2.gz TZGPKDOKTGBHPV-UHFFFAOYSA-N 0 0 437.930 6.907 40 0 IKABRN Cc1ccc(CSCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)cc1 ZINC000409363466 557137595 /nfs/dbraw/zinc/13/75/95/557137595.db2.gz TYRBYYBUQQLEGJ-UHFFFAOYSA-N 0 0 447.029 5.250 40 0 IKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)cc1-c1ccc2ccccc2c1 ZINC000408726763 557137657 /nfs/dbraw/zinc/13/76/57/557137657.db2.gz UGUPOLQNEZQETI-UHFFFAOYSA-N 0 0 437.930 6.907 40 0 IKABRN O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 ZINC000408727409 557137690 /nfs/dbraw/zinc/13/76/90/557137690.db2.gz WNHCHKCOYVPZNO-UHFFFAOYSA-N 0 0 433.486 6.598 40 0 IKABRN C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000003457144 557137804 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557163016 /nfs/dbraw/zinc/16/30/16/557163016.db2.gz YFVWOZUUPGIGTJ-UHFFFAOYSA-N 0 0 436.766 7.155 40 0 IKABRN Clc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 ZINC000106972292 557163038 /nfs/dbraw/zinc/16/30/38/557163038.db2.gz MTHYVCFVVWLHIK-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1C ZINC000107027344 557164110 /nfs/dbraw/zinc/16/41/10/557164110.db2.gz XTEUNZMDTCCIEZ-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN CCOc1cc(CNc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 ZINC000107027661 557164430 /nfs/dbraw/zinc/16/44/30/557164430.db2.gz NNCXJOKKRLUETQ-UHFFFAOYSA-N 0 0 442.353 6.048 40 0 IKABRN COc1ccc(NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000107031081 557164439 /nfs/dbraw/zinc/16/44/39/557164439.db2.gz YTLCWJATDFKZAH-UHFFFAOYSA-N 0 0 428.326 5.657 40 0 IKABRN COCCn1c(C(=O)NCc2ccc(F)c(F)c2)cc2c1c1ccccc1n2C(C)C ZINC000096037303 557164482 /nfs/dbraw/zinc/16/44/82/557164482.db2.gz DQGKYODCNCNCFF-UHFFFAOYSA-N 0 0 425.479 5.032 40 0 IKABRN 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557176601 /nfs/dbraw/zinc/17/66/01/557176601.db2.gz YMPNKUCJMWGNLZ-UHFFFAOYSA-N 0 0 443.551 5.144 40 0 IKABRN O=C(Nc1ccccc1Cl)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096146557 557176682 /nfs/dbraw/zinc/17/66/82/557176682.db2.gz AQPULBMNYKQPFG-UHFFFAOYSA-N 0 0 441.922 5.691 40 0 IKABRN COc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000008832318 557176761 /nfs/dbraw/zinc/17/67/61/557176761.db2.gz MLDUSRVUPOTKSG-XNTDXEJSSA-N 0 0 448.950 6.376 40 0 IKABRN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000008832366 557176794 /nfs/dbraw/zinc/17/67/94/557176794.db2.gz KBMDNMBNMQWAEQ-UHFFFAOYSA-N 0 0 441.767 5.950 40 0 IKABRN COc1c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc2ccccc2c1Br ZINC000008832373 557176850 /nfs/dbraw/zinc/17/68/50/557176850.db2.gz QQRSCZCOHZCIKO-UHFFFAOYSA-N 0 0 444.328 6.434 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Cc2ccncc2)cc1 ZINC000008832393 557177137 /nfs/dbraw/zinc/17/71/37/557177137.db2.gz JHKNSPWBRWREQV-SOFGYWHQSA-N 0 0 449.337 6.891 40 0 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557180764 /nfs/dbraw/zinc/18/07/64/557180764.db2.gz MJNWKOBEVJIIQR-VQHVLOKHSA-N 0 0 445.371 6.397 40 0 IKABRN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000009064628 557180871 /nfs/dbraw/zinc/18/08/71/557180871.db2.gz MCWIRZKFWUKXIL-UHFFFAOYSA-N 0 0 447.560 5.131 40 0 IKABRN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3O)nc2c1 ZINC000009064717 557180908 /nfs/dbraw/zinc/18/09/08/557180908.db2.gz IVIYNWAGVFAKHS-UHFFFAOYSA-N 0 0 449.507 5.590 40 0 IKABRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(C)c1 ZINC000009064845 557180995 /nfs/dbraw/zinc/18/09/95/557180995.db2.gz OUBLKOIFDCBDAS-VMPITWQZSA-N 0 0 445.371 6.397 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1cc(C)cc(C)c1 ZINC000009064811 557181063 /nfs/dbraw/zinc/18/10/63/557181063.db2.gz XKKWHFWWRTWDJU-UHFFFAOYSA-N 0 0 443.366 5.355 40 0 IKABRN Cc1ccc(C)c(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000009064846 557181066 /nfs/dbraw/zinc/18/10/66/557181066.db2.gz ONZNOTWTNLXECU-SOFGYWHQSA-N 0 0 445.371 6.397 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/nfs/dbraw/zinc/18/24/83/557182483.db2.gz STQXVIBLYBVMDI-UHFFFAOYSA-N 0 0 442.191 5.988 40 0 IKABRN CCOc1cc(COC(=O)c2ccc(OC(F)F)c(OCC)c2)ccc1OC(F)F ZINC000009235484 557183954 /nfs/dbraw/zinc/18/39/54/557183954.db2.gz IFVVTIJJMMCUSB-UHFFFAOYSA-N 0 0 432.366 5.044 40 0 IKABRN Cc1ccccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022273845 557187803 /nfs/dbraw/zinc/18/78/03/557187803.db2.gz OVIGKNDOFMAKFZ-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN Cc1cc(C)cc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022274128 557188178 /nfs/dbraw/zinc/18/81/78/557188178.db2.gz XDDXXNRUBDKFCV-UHFFFAOYSA-N 0 0 436.577 5.261 40 0 IKABRN CC(C)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274261 557188265 /nfs/dbraw/zinc/18/82/65/557188265.db2.gz AVLWBMBRTPBOLF-UHFFFAOYSA-N 0 0 442.968 5.297 40 0 IKABRN Cc1ccc(C)c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000022274932 557189076 /nfs/dbraw/zinc/18/90/76/557189076.db2.gz RPEWOFIPMCPBOY-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 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CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)cc1 ZINC000408768491 557192852 /nfs/dbraw/zinc/19/28/52/557192852.db2.gz GIWNJEGSUUVQRK-PSXBWXLBSA-N 0 0 445.371 6.415 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)OC)ccc4C)o3)S2)cc1 ZINC000408768501 557192944 /nfs/dbraw/zinc/19/29/44/557192944.db2.gz GNUGYQRUYJPXBL-WDONWYDGSA-N 0 0 448.544 5.204 40 0 IKABRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1Cl ZINC000009848689 557193080 /nfs/dbraw/zinc/19/30/80/557193080.db2.gz DVXSGCNDHSJHFD-UHFFFAOYSA-N 0 0 435.380 5.619 40 0 IKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 ZINC000009975320 557193492 /nfs/dbraw/zinc/19/34/92/557193492.db2.gz SVGRPNCJULMHKL-IBGZPJMESA-N 0 0 438.527 6.091 40 0 IKABRN COc1ccc(-c2cc(=O)c3n[nH]c4c(-c5ccc(Cl)cc5)c(C)nn4c-3c2)c(OC)c1 ZINC000009939242 557194500 /nfs/dbraw/zinc/19/45/00/557194500.db2.gz HQVYENVTGQDBDJ-UHFFFAOYSA-N 0 0 446.894 5.296 40 0 IKABRN O=C(Nc1cc(Cl)ccc1C(F)(F)F)Sc1nnc2sc3ccccc3n12 ZINC000096305836 557195383 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448.910 5.398 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)c(C)c1 ZINC000010112445 557204739 /nfs/dbraw/zinc/20/47/39/557204739.db2.gz BAYOALRUOQLCOP-UHFFFAOYSA-N 0 0 434.561 5.006 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)c1 ZINC000010112461 557204827 /nfs/dbraw/zinc/20/48/27/557204827.db2.gz AGFISTLZPGMQCK-LJQANCHMSA-N 0 0 434.561 5.004 40 0 IKABRN CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Br ZINC000408782483 557205372 /nfs/dbraw/zinc/20/53/72/557205372.db2.gz JDJDIZXFKITPHQ-JKALPCAWSA-N 0 0 433.371 5.010 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120139 557206344 /nfs/dbraw/zinc/20/63/44/557206344.db2.gz CWIUQWWNGDQEAQ-UHFFFAOYSA-N 0 0 427.287 5.743 40 0 IKABRN O=C(COc1ccc(Br)cc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120128 557206465 /nfs/dbraw/zinc/20/64/65/557206465.db2.gz FPLANKIDCJIZBU-UHFFFAOYSA-N 0 0 437.293 5.199 40 0 IKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccccc2Cl)o1 ZINC000010120106 557206483 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C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1Nc1ccccc1 ZINC000408801696 557212963 /nfs/dbraw/zinc/21/29/63/557212963.db2.gz WYDCEKGRICSTCZ-APUJPAGKSA-N 0 0 427.977 6.100 40 0 IKABRN Cc1cccc(COc2ccc(/C=C3\SC(Nc4cc(Cl)ccc4C)NC3=O)cc2)c1 ZINC000408803412 557213725 /nfs/dbraw/zinc/21/37/25/557213725.db2.gz OPMMHDUYPVHKAE-UHFFFAOYSA-N 0 0 449.983 6.299 40 0 IKABRN Cc1cc2c(cc1/C=C1\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C1=O)OCO2 ZINC000408800368 557215352 /nfs/dbraw/zinc/21/53/52/557215352.db2.gz OOFLGWQYBVUHQA-KTKVCYSRSA-N 0 0 435.569 5.778 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2C)cc1 ZINC000010313900 557215426 /nfs/dbraw/zinc/21/54/26/557215426.db2.gz DIAZKFLSYRDFHX-UHFFFAOYSA-N 0 0 438.549 5.144 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000010314511 557215815 /nfs/dbraw/zinc/21/58/15/557215815.db2.gz FEAAOOAQFRUDND-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000010314913 557216125 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Cc1cccc(C)c1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010366498 557218471 /nfs/dbraw/zinc/21/84/71/557218471.db2.gz JAFZZBIJWYGPLE-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000010372415 557218596 /nfs/dbraw/zinc/21/85/96/557218596.db2.gz GTBCXVBPDBYZIW-UHFFFAOYSA-N 0 0 440.540 5.168 40 0 IKABRN O=C(COc1ccc(Cl)cc1Br)N(Cc1ccccc1)Cc1ccccc1 ZINC000218852613 557218659 /nfs/dbraw/zinc/21/86/59/557218659.db2.gz QEWKJCIHHXYWGU-UHFFFAOYSA-N 0 0 444.756 5.710 40 0 IKABRN CCc1ccc(OCC(=O)NCCSCc2ccccc2Cl)c(Br)c1 ZINC000218860071 557218964 /nfs/dbraw/zinc/21/89/64/557218964.db2.gz WBIVJJPVGNWLID-UHFFFAOYSA-N 0 0 442.806 5.093 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Cl)cc1Br ZINC000218858064 557218987 /nfs/dbraw/zinc/21/89/87/557218987.db2.gz ZAZLKPGXZJKTTD-INIZCTEOSA-N 0 0 438.749 5.208 40 0 IKABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000010434091 557219290 /nfs/dbraw/zinc/21/92/90/557219290.db2.gz CJXIGSDRYGNSSG-UHFFFAOYSA-N 0 0 449.787 5.140 40 0 IKABRN Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000218885446 557219846 /nfs/dbraw/zinc/21/98/46/557219846.db2.gz UTVBDZANQJMQCI-INIZCTEOSA-N 0 0 434.374 5.018 40 0 IKABRN CC(C)Oc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000218882357 557219861 /nfs/dbraw/zinc/21/98/61/557219861.db2.gz DXRSORDTRKQORK-UHFFFAOYSA-N 0 0 434.374 5.229 40 0 IKABRN Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000218885278 557219962 /nfs/dbraw/zinc/21/99/62/557219962.db2.gz CYJKLVIFIRENAA-INIZCTEOSA-N 0 0 434.374 5.018 40 0 IKABRN CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)c(C)c1 ZINC000218885813 557220010 /nfs/dbraw/zinc/22/00/10/557220010.db2.gz ZGIOVERHJGSVET-FQEVSTJZSA-N 0 0 432.402 6.010 40 0 IKABRN Cc1ccccc1CSCCNC(=O)COc1ccc2ccccc2c1Br ZINC000218902984 557220230 /nfs/dbraw/zinc/22/02/30/557220230.db2.gz SEROJHUNYWPHOP-UHFFFAOYSA-N 0 0 444.394 5.339 40 0 IKABRN Cc1cccc(CSCCNC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000218902566 557220237 /nfs/dbraw/zinc/22/02/37/557220237.db2.gz UOFKWQDPYLLOTG-UHFFFAOYSA-N 0 0 444.394 5.339 40 0 IKABRN O=C(COc1ccc2ccccc2c1Br)NCCSCc1ccccc1 ZINC000218902115 557220254 /nfs/dbraw/zinc/22/02/54/557220254.db2.gz ZUKNJXJAQXLURW-UHFFFAOYSA-N 0 0 430.367 5.031 40 0 IKABRN O=C(COc1ccc2ccccc2c1Br)NCCSCc1ccccc1F ZINC000218905410 557220615 /nfs/dbraw/zinc/22/06/15/557220615.db2.gz DHZHSRPJQVCNTB-UHFFFAOYSA-N 0 0 448.357 5.170 40 0 IKABRN CC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C)cc1C ZINC000218907774 557220621 /nfs/dbraw/zinc/22/06/21/557220621.db2.gz HAYTVVISYLVTOH-FQEVSTJZSA-N 0 0 426.354 5.865 40 0 IKABRN CC[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C)cc1C ZINC000218907702 557220658 /nfs/dbraw/zinc/22/06/58/557220658.db2.gz HAYTVVISYLVTOH-HXUWFJFHSA-N 0 0 426.354 5.865 40 0 IKABRN CCCCOc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc1OC ZINC000408809075 557220706 /nfs/dbraw/zinc/22/07/06/557220706.db2.gz HHLYFNKPOIYBQB-UHFFFAOYSA-N 0 0 431.965 5.599 40 0 IKABRN Cc1cc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc(C)c1Cl ZINC000218918555 557220884 /nfs/dbraw/zinc/22/08/84/557220884.db2.gz RHBCVVUCJOWKIK-UHFFFAOYSA-N 0 0 432.800 5.692 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000218929383 557220950 /nfs/dbraw/zinc/22/09/50/557220950.db2.gz FCLNSXCIZRUTJP-UHFFFAOYSA-N 0 0 426.409 5.719 40 0 IKABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1C(=O)c1ccccc1 ZINC000218946178 557221269 /nfs/dbraw/zinc/22/12/69/557221269.db2.gz HPTDBWUIMBUYJD-UHFFFAOYSA-N 0 0 444.712 5.351 40 0 IKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000218976181 557221558 /nfs/dbraw/zinc/22/15/58/557221558.db2.gz OVCAWQRENKLUMA-UHFFFAOYSA-N 0 0 425.553 6.810 40 0 IKABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000010449841 557221596 /nfs/dbraw/zinc/22/15/96/557221596.db2.gz DMQQUKWGUSCKMO-UZTOHYMASA-N 0 0 442.584 5.095 40 0 IKABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cccc(OCc2ccccc2)c1 ZINC000218979933 557221870 /nfs/dbraw/zinc/22/18/70/557221870.db2.gz OOUIGDXJROHLTI-UHFFFAOYSA-N 0 0 433.895 5.241 40 0 IKABRN Cc1cccc(-c2noc(CNC(=O)c3ccc(OCc4ccccc4Cl)cc3)n2)c1 ZINC000218992554 557222548 /nfs/dbraw/zinc/22/25/48/557222548.db2.gz KWYSCURGWDHAKG-UHFFFAOYSA-N 0 0 433.895 5.207 40 0 IKABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccccc1CCc1ccccc1 ZINC000219007845 557222872 /nfs/dbraw/zinc/22/28/72/557222872.db2.gz VRTUIWLVQQEPJQ-UHFFFAOYSA-N 0 0 431.923 5.447 40 0 IKABRN O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000010543782 557223034 /nfs/dbraw/zinc/22/30/34/557223034.db2.gz MWUGMWCZDIYFRC-UHFFFAOYSA-N 0 0 440.323 5.190 40 0 IKABRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O ZINC000408812282 557224629 /nfs/dbraw/zinc/22/46/29/557224629.db2.gz MOGPCLSTLDNMFL-NVNXTCNLSA-N 0 0 428.724 5.892 40 0 IKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1OC ZINC000408813794 557226835 /nfs/dbraw/zinc/22/68/35/557226835.db2.gz OVRYUPCMNBFZND-RRDYPLETSA-N 0 0 437.585 5.758 40 0 IKABRN Cc1ccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000017095624 557226989 /nfs/dbraw/zinc/22/69/89/557226989.db2.gz GALAVELESONVFE-UHFFFAOYSA-N 0 0 427.762 7.783 40 0 IKABRN COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000017096945 557226994 /nfs/dbraw/zinc/22/69/94/557226994.db2.gz SSIPCJSCLLGRRR-UHFFFAOYSA-N 0 0 430.504 5.549 40 0 IKABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000219119352 557227045 /nfs/dbraw/zinc/22/70/45/557227045.db2.gz YCMCZPYFWUEFGX-CVDCTZTESA-N 0 0 444.641 5.023 40 0 IKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000011117606 557227118 /nfs/dbraw/zinc/22/71/18/557227118.db2.gz PDNQNBQRHGXTLI-UXHICEINSA-N 0 0 447.482 5.222 40 0 IKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000011117315 557227120 /nfs/dbraw/zinc/22/71/20/557227120.db2.gz KBYBMTNELLFQAM-SFTDATJTSA-N 0 0 427.957 5.165 40 0 IKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000011117146 557227131 /nfs/dbraw/zinc/22/71/31/557227131.db2.gz WGJSLZPKPKQOAN-VQTJNVASSA-N 0 0 447.482 5.222 40 0 IKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000011117372 557227139 /nfs/dbraw/zinc/22/71/39/557227139.db2.gz KBYBMTNELLFQAM-NHCUHLMSSA-N 0 0 427.957 5.165 40 0 IKABRN Cc1cc(C)c(CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c(C)c1 ZINC000111458484 557227703 /nfs/dbraw/zinc/22/77/03/557227703.db2.gz MUAGTDWBGUUOEQ-UHFFFAOYSA-N 0 0 444.581 6.314 40 0 IKABRN C[C@@H](NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000219153384 557228255 /nfs/dbraw/zinc/22/82/55/557228255.db2.gz YESLYZMLUDUHPC-GOSISDBHSA-N 0 0 448.588 5.037 40 0 IKABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000219266251 557234457 /nfs/dbraw/zinc/23/44/57/557234457.db2.gz DQVGTCGUBKCCON-UHFFFAOYSA-N 0 0 445.544 5.180 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026124379 557235500 /nfs/dbraw/zinc/23/55/00/557235500.db2.gz AWEKQGBUNLLJBE-UHFFFAOYSA-N 0 0 438.918 6.302 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc(Cl)c1Cl ZINC000026124330 557235528 /nfs/dbraw/zinc/23/55/28/557235528.db2.gz CARKHCROMJHPNJ-UHFFFAOYSA-N 0 0 431.710 5.941 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000026124337 557235543 /nfs/dbraw/zinc/23/55/43/557235543.db2.gz JARQBYUVGNJYNJ-UHFFFAOYSA-N 0 0 431.710 5.941 40 0 IKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 ZINC000026124674 557235577 /nfs/dbraw/zinc/23/55/77/557235577.db2.gz ICSSGXMQXZCQMH-UHFFFAOYSA-N 0 0 427.291 5.297 40 0 IKABRN C/C=C\Cn1c(-c2c(C)oc3ccccc32)cs/c1=N\S(=O)(=O)c1cccs1 ZINC000011859636 557236295 /nfs/dbraw/zinc/23/62/95/557236295.db2.gz RBAXEYGMYQYUME-GAGPDCDOSA-N 0 0 430.576 5.198 40 0 IKABRN C/C=C\c1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1OCc1ccccc1 ZINC000085475030 557237274 /nfs/dbraw/zinc/23/72/74/557237274.db2.gz HERVQUFQZXZOBU-RVPHRTOXSA-N 0 0 447.594 7.800 40 0 IKABRN COc1ccc(-c2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C)cc1OC ZINC000408823151 557237428 /nfs/dbraw/zinc/23/74/28/557237428.db2.gz DWKBOJRHACSJNO-UHFFFAOYSA-N 0 0 430.529 6.055 40 0 IKABRN CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1cc(C)ccc1C ZINC000408823136 557237435 /nfs/dbraw/zinc/23/74/35/557237435.db2.gz CVIZOMRKAUEBFQ-UHFFFAOYSA-N 0 0 440.612 7.150 40 0 IKABRN Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc(C)c1I ZINC000057313056 557238622 /nfs/dbraw/zinc/23/86/22/557238622.db2.gz GEWPEWUMSCASHM-UHFFFAOYSA-N 0 0 437.321 5.223 40 0 IKABRN Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3ccc(Cl)cc3Cl)nn12 ZINC000057312949 557238639 /nfs/dbraw/zinc/23/86/39/557238639.db2.gz QGZNYUMOCPJCPS-VQHVLOKHSA-N 0 0 430.320 5.120 40 0 IKABRN CCN1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccccc3)o2)CC1 ZINC000057312951 557238680 /nfs/dbraw/zinc/23/86/80/557238680.db2.gz PDFOEYLATMNPOZ-WYMLVPIESA-N 0 0 435.955 5.394 40 0 IKABRN O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000040853694 557239184 /nfs/dbraw/zinc/23/91/84/557239184.db2.gz UVRAZQATTQSDGQ-UHFFFAOYSA-N 0 0 439.787 5.957 40 0 IKABRN CCc1nnc2sc(-c3cccc(NC(=O)c4sc5ccccc5c4Cl)c3)nn12 ZINC000057316886 557240015 /nfs/dbraw/zinc/24/00/15/557240015.db2.gz MBRXFQWJEQRXPQ-UHFFFAOYSA-N 0 0 439.953 5.536 40 0 IKABRN CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)c3)nn12 ZINC000057316962 557240253 /nfs/dbraw/zinc/24/02/53/557240253.db2.gz GPTRNZRZMBQXSZ-VQHVLOKHSA-N 0 0 444.347 5.374 40 0 IKABRN CCc1nnc2sc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)nn12 ZINC000057316907 557240312 /nfs/dbraw/zinc/24/03/12/557240312.db2.gz YJVITKDEGBAMDX-UHFFFAOYSA-N 0 0 439.544 5.186 40 0 IKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)C(c1ccccc1)c1ccccc1 ZINC000057317018 557240503 /nfs/dbraw/zinc/24/05/03/557240503.db2.gz ZSCRAPKBERCBFF-UHFFFAOYSA-N 0 0 446.344 6.157 40 0 IKABRN O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317074 557240535 /nfs/dbraw/zinc/24/05/35/557240535.db2.gz WFVXJJUYHFSUPC-UHFFFAOYSA-N 0 0 428.370 5.932 40 0 IKABRN Cc1cc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc(C)c1Cl ZINC000057317023 557240537 /nfs/dbraw/zinc/24/05/37/557240537.db2.gz FBLITDQYNUQLBR-UHFFFAOYSA-N 0 0 448.744 5.675 40 0 IKABRN CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1cc(OC)cc(OC)c1 ZINC000408825466 557240977 /nfs/dbraw/zinc/24/09/77/557240977.db2.gz KBHARENOSNCVIV-UHFFFAOYSA-N 0 0 440.609 5.935 40 0 IKABRN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317247 557241030 /nfs/dbraw/zinc/24/10/30/557241030.db2.gz GNYQWWFGWQPUGU-UHFFFAOYSA-N 0 0 441.639 5.166 40 0 IKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000219391464 557241123 /nfs/dbraw/zinc/24/11/23/557241123.db2.gz QYJLQLLCAIHHGM-KRWDZBQOSA-N 0 0 436.364 5.573 40 0 IKABRN CC[C@H](C)Oc1cccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 ZINC000057317332 557241345 /nfs/dbraw/zinc/24/13/45/557241345.db2.gz HGCWLHMPRSLNKB-LBPRGKRZSA-N 0 0 444.856 5.036 40 0 IKABRN O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000057333522 557241696 /nfs/dbraw/zinc/24/16/96/557241696.db2.gz QEEBNNPLNDSZQS-UHFFFAOYSA-N 0 0 435.483 5.399 40 0 IKABRN Cc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(Cl)cc1Cl ZINC000408826153 557242313 /nfs/dbraw/zinc/24/23/13/557242313.db2.gz KURYFNIBYIMBTM-UHFFFAOYSA-N 0 0 442.165 6.440 40 0 IKABRN CC(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CC[C@H]3CCCO3)CC2)n1 ZINC000100152712 557243790 /nfs/dbraw/zinc/24/37/90/557243790.db2.gz PINXLDWUMIWHGJ-QHAWAJNXSA-N 0 0 436.600 5.011 40 0 IKABRN CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000219419582 557243937 /nfs/dbraw/zinc/24/39/37/557243937.db2.gz GMPUTOBHQCQQBL-UHFFFAOYSA-N 0 0 447.450 6.078 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1N1CCCCC1 ZINC000057313211 557244255 /nfs/dbraw/zinc/24/42/55/557244255.db2.gz OLAMJQWIMNYKCI-JQIJEIRASA-N 0 0 431.561 5.463 40 0 IKABRN CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000219423688 557244277 /nfs/dbraw/zinc/24/42/77/557244277.db2.gz FEXYSHQSDLWIND-UHFFFAOYSA-N 0 0 430.995 5.564 40 0 IKABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4cccc(Cl)c4)o3)nn12 ZINC000057313204 557244344 /nfs/dbraw/zinc/24/43/44/557244344.db2.gz ROXRIEUSWMBPBX-UHFFFAOYSA-N 0 0 435.896 5.327 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5nsnc5c4)cc3n2)cc1 ZINC000057313173 557244347 /nfs/dbraw/zinc/24/43/47/557244347.db2.gz VHYFJNRORZXZQH-UHFFFAOYSA-N 0 0 442.548 5.329 40 0 IKABRN Cc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408828041 557244445 /nfs/dbraw/zinc/24/44/45/557244445.db2.gz VODOLPGXLRJHPF-UHFFFAOYSA-N 0 0 439.367 7.345 40 0 IKABRN CCC(=O)Nc1nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2s1 ZINC000057313540 557244626 /nfs/dbraw/zinc/24/46/26/557244626.db2.gz BGAZSDGFUAPQMM-SNVBAGLBSA-N 0 0 438.336 5.358 40 0 IKABRN Cc1ccc2c(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)coc2c1 ZINC000100156310 557244686 /nfs/dbraw/zinc/24/46/86/557244686.db2.gz SSBGUTFBYADQGA-CALCHBBNSA-N 0 0 435.549 5.485 40 0 IKABRN O=C(NC(=S)Nc1cccnc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000057313671 557244829 /nfs/dbraw/zinc/24/48/29/557244829.db2.gz HIXADKIZPMYZGV-UHFFFAOYSA-N 0 0 426.712 5.429 40 0 IKABRN CC(C)c1ccccc1OCC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 ZINC000100156319 557244979 /nfs/dbraw/zinc/24/49/79/557244979.db2.gz SJHAHRGFIFPQNT-HDICACEKSA-N 0 0 439.581 5.391 40 0 IKABRN Cc1[nH]c2ccc(C)cc2c1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 ZINC000100156326 557245004 /nfs/dbraw/zinc/24/50/04/557245004.db2.gz FFQGWODRRVGQFS-HDICACEKSA-N 0 0 448.592 5.529 40 0 IKABRN COc1cc2ccccc2cc1C(=O)Nc1cc(C)c(I)c(C)c1 ZINC000057313863 557245171 /nfs/dbraw/zinc/24/51/71/557245171.db2.gz AWNKQMUJZXOXHV-UHFFFAOYSA-N 0 0 431.273 5.322 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)cc1C ZINC000057315696 557245467 /nfs/dbraw/zinc/24/54/67/557245467.db2.gz PYFZCXLIQQYIIV-NTCAYCPXSA-N 0 0 434.495 7.024 40 0 IKABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000057315825 557245815 /nfs/dbraw/zinc/24/58/15/557245815.db2.gz CTJXUHKFLJAPKQ-UHFFFAOYSA-N 0 0 426.472 5.672 40 0 IKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000057315964 557246007 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557255337 /nfs/dbraw/zinc/25/53/37/557255337.db2.gz SKJFQDYGDDOQEC-QFIPXVFZSA-N 0 0 437.494 5.091 40 0 aggregator IKABRN CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc21)CN(CCc1ccccc1)C(=O)O3 ZINC000057740596 557257616 /nfs/dbraw/zinc/25/76/16/557257616.db2.gz PSFHDPLGUYFCRN-UHFFFAOYSA-N 0 0 426.520 5.275 40 0 IKABRN ClC1=C(Cl)[C@@]2(Cl)[C@H](COc3ccc(Cl)cc3)C[C@]1(Cl)C2(Cl)Cl ZINC000100360397 557258949 /nfs/dbraw/zinc/25/89/49/557258949.db2.gz GRPJFZFIUCJBJN-YLJLNXRRSA-N 0 0 441.396 6.571 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408839060 557259769 /nfs/dbraw/zinc/25/97/69/557259769.db2.gz MGTOOODFTLSBBR-PXLXIMEGSA-N 0 0 441.483 5.266 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000408840180 557261564 /nfs/dbraw/zinc/26/15/64/557261564.db2.gz YGXDEEKEGKPEDS-XSFVSMFZSA-N 0 0 447.874 5.302 40 0 IKABRN CC(C)(C)OC(=O)n1c(-c2cc(Cl)ncn2)cc2ccc(OCc3ccccc3)cc21 ZINC000038580324 557263380 /nfs/dbraw/zinc/26/33/80/557263380.db2.gz 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CC[C@@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220547455 557300028 /nfs/dbraw/zinc/30/00/28/557300028.db2.gz GIJPTNDPXSOYLT-UGKGYDQZSA-N 0 0 444.641 5.023 40 0 IKABRN CC[C@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220575303 557301266 /nfs/dbraw/zinc/30/12/66/557301266.db2.gz FTKVHVVHEXMUDV-AUSIDOKSSA-N 0 0 444.641 5.023 40 0 IKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 ZINC000102676499 557305234 /nfs/dbraw/zinc/30/52/34/557305234.db2.gz ZCJKFYHNWQJUCU-FBYKWQDJSA-N 0 0 430.529 5.220 40 0 IKABRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220691596 557307134 /nfs/dbraw/zinc/30/71/34/557307134.db2.gz PCZSOKNGTSTWAB-LJQANCHMSA-N 0 0 443.396 5.300 40 0 IKABRN O=C1S/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N1c1ccccc1 ZINC000113832376 557307249 /nfs/dbraw/zinc/30/72/49/557307249.db2.gz VGYFXAHYKJJEIM-FYJGNVAPSA-N 0 0 439.895 6.299 40 0 IKABRN CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220695422 557307725 /nfs/dbraw/zinc/30/77/25/557307725.db2.gz LRWLHYXHWGUCEH-LJQANCHMSA-N 0 0 443.396 5.300 40 0 IKABRN CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000013303459 557308908 /nfs/dbraw/zinc/30/89/08/557308908.db2.gz LCACYSALAAALAR-OUPRXKBMSA-N 0 0 434.536 5.015 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccccc2)nc2ccccc21 ZINC000013372399 557309424 /nfs/dbraw/zinc/30/94/24/557309424.db2.gz YYMRXBYLLKFYJU-UHFFFAOYSA-N 0 0 426.825 6.826 40 0 IKABRN Cc1cccc2c(SCC(=O)Nc3cccc(Cl)c3)nc(-c3ccc(F)cc3)nc12 ZINC000013388727 557309476 /nfs/dbraw/zinc/30/94/76/557309476.db2.gz PCBAWMHSCRHKLA-UHFFFAOYSA-N 0 0 437.927 6.129 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2C)sc1NC(=O)C1CCCCC1 ZINC000013388615 557309509 /nfs/dbraw/zinc/30/95/09/557309509.db2.gz YKZUXBRNPXRGAB-UHFFFAOYSA-N 0 0 448.972 5.576 40 0 IKABRN CCCCc1ccc(NC(=O)[C@@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000220717958 557309483 /nfs/dbraw/zinc/30/94/83/557309483.db2.gz DFVGDZNHSXQOOD-HXUWFJFHSA-N 0 0 437.005 5.174 40 0 IKABRN COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000113928940 557309696 /nfs/dbraw/zinc/30/96/96/557309696.db2.gz CWHXEFZGRCFBKS-NDEPHWFRSA-N 0 0 434.539 6.369 40 0 IKABRN CCc1ccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000113938300 557310543 /nfs/dbraw/zinc/31/05/43/557310543.db2.gz RSBCHQFJBSNKFN-UHFFFAOYSA-N 0 0 436.577 5.084 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cccc(C)c2C)cc1 ZINC000113938055 557310578 /nfs/dbraw/zinc/31/05/78/557310578.db2.gz AHTBCHZVNQADAK-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN CCc1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000113938354 557310580 /nfs/dbraw/zinc/31/05/80/557310580.db2.gz TXHUEERVKDWNPS-UHFFFAOYSA-N 0 0 436.577 5.008 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(C)c2C)cc1 ZINC000113938057 557310582 /nfs/dbraw/zinc/31/05/82/557310582.db2.gz UDGWARUPEVGHNA-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN O=C(Cc1cccc2ccccc21)Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@@H]21 ZINC000102987140 557311579 /nfs/dbraw/zinc/31/15/79/557311579.db2.gz JCMRXPLXUHWJKN-SAZLYLDSSA-N 0 0 436.599 6.622 40 0 IKABRN COc1ccc2ccc(OC)c(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2c1 ZINC000409146524 557312556 /nfs/dbraw/zinc/31/25/56/557312556.db2.gz UMSGEZJVCMGTBW-XQNSMLJCSA-N 0 0 433.529 5.526 40 0 IKABRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000032604180 557314409 /nfs/dbraw/zinc/31/44/09/557314409.db2.gz LRAONVJOPZTSSA-UHFFFAOYSA-N 0 0 436.434 5.169 40 0 IKABRN Cc1ccc(N2CCCCN(c3ccc(C)cc3)/C(c3ccccc3)=C/2c2ccccc2)cc1 ZINC000104222386 557322421 /nfs/dbraw/zinc/32/24/21/557322421.db2.gz GAIKNYDMEFEFMM-QNEJGDQOSA-N 0 0 444.622 7.936 40 0 IKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1ccccc1)[C@H]2c1ccco1 ZINC000104231481 557322826 /nfs/dbraw/zinc/32/28/26/557322826.db2.gz DTAGMDVQCAXTPK-SANMLTNESA-N 0 0 441.531 6.184 40 0 IKABRN COc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3Cl)c2c1 ZINC000013423945 557322917 /nfs/dbraw/zinc/32/29/17/557322917.db2.gz PNKGWCUYOVSLIM-UHFFFAOYSA-N 0 0 435.936 5.690 40 0 IKABRN Cc1ccc(NC(=O)/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)Sc2ccc(C)cc2)cc1 ZINC000013424502 557322951 /nfs/dbraw/zinc/32/29/51/557322951.db2.gz ORSWPSXPJBRDQC-LFVJCYFKSA-N 0 0 443.572 5.266 40 0 IKABRN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000104231944 557323008 /nfs/dbraw/zinc/32/30/08/557323008.db2.gz KNXRKORNHUOIBK-VWLOTQADSA-N 0 0 442.584 7.163 40 0 IKABRN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccs2)cc1 ZINC000104231989 557323023 /nfs/dbraw/zinc/32/30/23/557323023.db2.gz OBXLCNUNGRZCHI-VWLOTQADSA-N 0 0 442.584 7.163 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1cccc(F)c1 ZINC000104232259 557323083 /nfs/dbraw/zinc/32/30/83/557323083.db2.gz QYPIETDHYAFOMN-VWLOTQADSA-N 0 0 431.467 5.687 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NCc1ccccc1 ZINC000104231713 557323086 /nfs/dbraw/zinc/32/30/86/557323086.db2.gz UEPPRJSROVKRDE-SANMLTNESA-N 0 0 427.504 5.226 40 0 IKABRN Fc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccc(Br)cc1 ZINC000013424672 557323120 /nfs/dbraw/zinc/32/31/20/557323120.db2.gz ZVIZGNNSIIPRDJ-NRFANRHFSA-N 0 0 429.720 6.597 40 0 IKABRN CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501067 557324381 /nfs/dbraw/zinc/32/43/81/557324381.db2.gz QUSOATSFHYBNDL-QHCPKHFHSA-N 0 0 448.615 5.142 40 0 IKABRN CC(C)c1ccc(C=C2CSCC3C2=NC(=S)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000104310376 557324487 /nfs/dbraw/zinc/32/44/87/557324487.db2.gz VWMQARYYHFGNNJ-MFUBYVTQSA-N 0 0 434.674 6.537 40 0 IKABRN CC(C)c1ccc(C=C2CSCC3C2=NC(=S)N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000104310372 557324629 /nfs/dbraw/zinc/32/46/29/557324629.db2.gz VWMQARYYHFGNNJ-RWTNITNYSA-N 0 0 434.674 6.537 40 0 IKABRN Clc1ccccc1C(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000104339797 557325422 /nfs/dbraw/zinc/32/54/22/557325422.db2.gz KFFBTOCOVKYLAQ-UHFFFAOYSA-N 0 0 445.005 8.507 40 0 IKABRN Clc1cccc(C(c2ccccc2)(c2ccccc2)C(c2ccccc2)c2ccccc2)c1 ZINC000104339802 557325478 /nfs/dbraw/zinc/32/54/78/557325478.db2.gz KONUGBRQPMPVJV-UHFFFAOYSA-N 0 0 445.005 8.507 40 0 IKABRN O=C(Cc1cccs1)N(c1ccccc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000013496640 557326643 /nfs/dbraw/zinc/32/66/43/557326643.db2.gz AEAAQHMZDTZZOE-AREMUKBSSA-N 0 0 440.568 5.382 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2cccs2)o1 ZINC000013497363 557326979 /nfs/dbraw/zinc/32/69/79/557326979.db2.gz CKEKBICVGJCDKG-QHCPKHFHSA-N 0 0 436.577 5.482 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)o1 ZINC000013497560 557327049 /nfs/dbraw/zinc/32/70/49/557327049.db2.gz VTHVXAJITGRBEX-DEOSSOPVSA-N 0 0 436.577 5.021 40 0 IKABRN CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497692 557327063 /nfs/dbraw/zinc/32/70/63/557327063.db2.gz FAAAEBNEHFAZNN-QFIPXVFZSA-N 0 0 433.017 5.373 40 0 IKABRN CCOCCCN(C(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000013497189 557327106 /nfs/dbraw/zinc/32/71/06/557327106.db2.gz VSPUVEIRVSDSPT-HSZRJFAPSA-N 0 0 442.625 5.116 40 0 IKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)c1 ZINC000013498005 557327228 /nfs/dbraw/zinc/32/72/28/557327228.db2.gz AJOZMHFKSTYTKY-RUZDIDTESA-N 0 0 448.588 5.133 40 0 IKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1C ZINC000013498264 557327608 /nfs/dbraw/zinc/32/76/08/557327608.db2.gz YOKMFFFOFRFJKE-SANMLTNESA-N 0 0 446.616 5.741 40 0 IKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498387 557327815 /nfs/dbraw/zinc/32/78/15/557327815.db2.gz YOVSSURQEFCQPQ-RUZDIDTESA-N 0 0 448.588 5.133 40 0 IKABRN N=C1S[C@@H](C(=O)c2ccccc2)[C@@](Br)(c2ccccc2)N1c1ccccc1 ZINC000104822655 557328803 /nfs/dbraw/zinc/32/88/03/557328803.db2.gz AHUSPTPILYVXOB-RBBKRZOGSA-N 0 0 437.362 5.674 40 0 IKABRN COc1cccc(C(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c32)c1 ZINC000013499949 557329332 /nfs/dbraw/zinc/32/93/32/557329332.db2.gz LJUOUIYNKCFIRW-UHFFFAOYSA-N 0 0 426.607 6.339 40 0 IKABRN CCc1nnc(NC(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c32)s1 ZINC000013499942 557329395 /nfs/dbraw/zinc/32/93/95/557329395.db2.gz JGMVJNBGQJLYSR-UHFFFAOYSA-N 0 0 447.655 5.501 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4ccc(Cl)cc4)nnc3c2c1C ZINC000013499968 557329615 /nfs/dbraw/zinc/32/96/15/557329615.db2.gz RXVLFJZMPVBCFN-UHFFFAOYSA-N 0 0 446.001 5.463 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4ccc(C)cc4C)nnc3c2c1C ZINC000013499982 557329625 /nfs/dbraw/zinc/32/96/25/557329625.db2.gz DVSSLZKWKRHDHA-UHFFFAOYSA-N 0 0 439.610 5.427 40 0 IKABRN CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3)c2C)n1Cc1ccccc1OC ZINC000013500053 557329936 /nfs/dbraw/zinc/32/99/36/557329936.db2.gz KEOQVKOWVKYGSN-UHFFFAOYSA-N 0 0 443.551 5.783 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000105550615 557331810 /nfs/dbraw/zinc/33/18/10/557331810.db2.gz NPFNIURPZMASKS-UHFFFAOYSA-N 0 0 444.796 6.037 40 0 IKABRN CC(C)[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1ccccc1Cl ZINC000013511650 557332532 /nfs/dbraw/zinc/33/25/32/557332532.db2.gz IAHPPQDQOMUKQL-DEOSSOPVSA-N 0 0 449.986 5.562 40 0 IKABRN COc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2[C@H](C)c2ccccc2)c1 ZINC000013512134 557332805 /nfs/dbraw/zinc/33/28/05/557332805.db2.gz CPOWFQBHXRKCGX-MRXNPFEDSA-N 0 0 448.548 5.195 40 0 IKABRN CCCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccoc1C ZINC000013512461 557333621 /nfs/dbraw/zinc/33/36/21/557333621.db2.gz NWZGQHOTNLZZHB-UHFFFAOYSA-N 0 0 438.475 5.396 40 0 IKABRN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000013512890 557333815 /nfs/dbraw/zinc/33/38/15/557333815.db2.gz BPGLYQWARDDFNX-UHFFFAOYSA-N 0 0 439.577 5.132 40 0 IKABRN CCCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br ZINC000106964382 557334827 /nfs/dbraw/zinc/33/48/27/557334827.db2.gz YPGXPWCTZXPACC-UHFFFAOYSA-N 0 0 433.571 6.266 40 0 IKABRN CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000013513883 557334980 /nfs/dbraw/zinc/33/49/80/557334980.db2.gz FUNPTPFTUUYJFB-UHFFFAOYSA-N 0 0 441.959 5.259 40 0 IKABRN CCc1cccc(C)c1NC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222381896 557336775 /nfs/dbraw/zinc/33/67/75/557336775.db2.gz DHUWCRNOSRUELP-UHFFFAOYSA-N 0 0 443.396 5.049 40 0 IKABRN Cc1nc2cc(NC(=O)c3cccc(Cl)c3)c(C)nc2n1Cc1ccc(Cl)cc1 ZINC000013502026 557337105 /nfs/dbraw/zinc/33/71/05/557337105.db2.gz VEZFBOTWWGONIS-UHFFFAOYSA-N 0 0 425.319 5.656 40 0 IKABRN CCCCc1nc2cc(NC(=O)NCC)c(C)nc2n1Cc1ccc(Br)cc1 ZINC000013502034 557337158 /nfs/dbraw/zinc/33/71/58/557337158.db2.gz IJJDQOSGAWDEFS-UHFFFAOYSA-N 0 0 444.377 5.035 40 0 IKABRN CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1 ZINC000013502040 557337199 /nfs/dbraw/zinc/33/71/99/557337199.db2.gz IPVVCFLFHUYKTE-UHFFFAOYSA-N 0 0 447.970 6.428 40 0 IKABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O ZINC000222384745 557337309 /nfs/dbraw/zinc/33/73/09/557337309.db2.gz XOJZTWQYMMCWQB-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN Cc1ccc(CN(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000013502415 557337345 /nfs/dbraw/zinc/33/73/45/557337345.db2.gz RBVITUAUACUNEE-SANMLTNESA-N 0 0 441.575 5.223 40 0 IKABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1ccccn1 ZINC000013502155 557337395 /nfs/dbraw/zinc/33/73/95/557337395.db2.gz ARHCETCYZZERJX-XMMPIXPASA-N 0 0 447.604 5.284 40 0 IKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccccn1)c1cccc(Cl)c1 ZINC000013502418 557337645 /nfs/dbraw/zinc/33/76/45/557337645.db2.gz ADJUDZQDQJQPQP-XMMPIXPASA-N 0 0 447.966 5.572 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222394194 557337724 /nfs/dbraw/zinc/33/77/24/557337724.db2.gz LOWRYCGMNWYBMA-VWLOTQADSA-N 0 0 436.640 5.557 40 0 IKABRN Cc1occc1C(=O)N(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013503534 557338473 /nfs/dbraw/zinc/33/84/73/557338473.db2.gz RJXUDPRPLFQADU-DEOSSOPVSA-N 0 0 434.511 5.564 40 0 IKABRN Cc1occc1C(=O)N(c1cccc(C)c1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013503528 557338526 /nfs/dbraw/zinc/33/85/26/557338526.db2.gz OPLWZENGQSMPKG-DEOSSOPVSA-N 0 0 434.511 5.482 40 0 IKABRN Cc1occc1C(=O)N(c1cccc(C)c1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013503527 557338541 /nfs/dbraw/zinc/33/85/41/557338541.db2.gz OPLWZENGQSMPKG-XMMPIXPASA-N 0 0 434.511 5.482 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222411163 557338712 /nfs/dbraw/zinc/33/87/12/557338712.db2.gz QHNGISYEFCQBHJ-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 ZINC000222415226 557339225 /nfs/dbraw/zinc/33/92/25/557339225.db2.gz VQLFGKLVIXXPNA-QHCPKHFHSA-N 0 0 426.626 5.118 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222440769 557340219 /nfs/dbraw/zinc/34/02/19/557340219.db2.gz VHKYNDOJPXNKOA-RUZDIDTESA-N 0 0 436.640 5.557 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222440711 557340260 /nfs/dbraw/zinc/34/02/60/557340260.db2.gz VHKYNDOJPXNKOA-VWLOTQADSA-N 0 0 436.640 5.557 40 0 IKABRN COc1cc(/C=C2/SC(=N)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000033417810 557340316 /nfs/dbraw/zinc/34/03/16/557340316.db2.gz PTSKPHJHXPRJLX-GIDUJCDVSA-N 0 0 443.739 5.373 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222456753 557340708 /nfs/dbraw/zinc/34/07/08/557340708.db2.gz NHGWNVUXLKJXDO-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CCc1ccc(NCc2cc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000013564720 557340981 /nfs/dbraw/zinc/34/09/81/557340981.db2.gz IYWHSUYTRRLLTE-UHFFFAOYSA-N 0 0 438.506 5.694 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215620 557341149 /nfs/dbraw/zinc/34/11/49/557341149.db2.gz SDKCYOBGQHVSSS-IBGZPJMESA-N 0 0 431.577 5.838 40 0 IKABRN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214649 557341517 /nfs/dbraw/zinc/34/15/17/557341517.db2.gz ZYIMWBRSZJIAJR-OAQYLSRUSA-N 0 0 439.556 5.707 40 0 IKABRN CC(C)CN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 ZINC000072214598 557341579 /nfs/dbraw/zinc/34/15/79/557341579.db2.gz ZFYMXJDKVGKFPI-UHFFFAOYSA-N 0 0 449.592 5.357 40 0 IKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072214733 557341590 /nfs/dbraw/zinc/34/15/90/557341590.db2.gz OTGBQBFXXPIHHS-NRFANRHFSA-N 0 0 439.556 5.707 40 0 IKABRN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072214794 557341611 /nfs/dbraw/zinc/34/16/11/557341611.db2.gz UWWNCPCNRABGQH-HXUWFJFHSA-N 0 0 425.529 5.317 40 0 IKABRN Cc1sc(Nc2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 ZINC000013564920 557341604 /nfs/dbraw/zinc/34/16/04/557341604.db2.gz BJFCXIZHQBGJDA-UHFFFAOYSA-N 0 0 429.520 6.204 40 0 IKABRN Cc1sc(NC2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1C ZINC000013564917 557341612 /nfs/dbraw/zinc/34/16/12/557341612.db2.gz HJQFMICLQOJEPW-UHFFFAOYSA-N 0 0 431.605 6.374 40 0 IKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072215295 557341994 /nfs/dbraw/zinc/34/19/94/557341994.db2.gz IPAAXWASOIIYNO-DENIHFKCSA-N 0 0 437.584 5.989 40 0 IKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072215198 557342081 /nfs/dbraw/zinc/34/20/81/557342081.db2.gz RZDOJOPYBONIJZ-INIZCTEOSA-N 0 0 435.565 5.109 40 0 IKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072215278 557342101 /nfs/dbraw/zinc/34/21/01/557342101.db2.gz UQAWHMWFWLWRLJ-HKUYNNGSSA-N 0 0 433.593 6.084 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1)C1CC1 ZINC000072215318 557342106 /nfs/dbraw/zinc/34/21/06/557342106.db2.gz NUXFRYUTVVJNTE-OAQYLSRUSA-N 0 0 437.540 5.459 40 0 IKABRN CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215542 557342336 /nfs/dbraw/zinc/34/23/36/557342336.db2.gz JAGCFILKXXZPED-UHFFFAOYSA-N 0 0 447.576 5.253 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1)C1CCC1 ZINC000072215539 557342346 /nfs/dbraw/zinc/34/23/46/557342346.db2.gz GFGXNQNFCCTILZ-JOCHJYFZSA-N 0 0 435.568 5.743 40 0 IKABRN CC(C)(C)OC(=O)NCCCC(=O)c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215546 557342357 /nfs/dbraw/zinc/34/23/57/557342357.db2.gz MICAQRIKQXHMNT-UHFFFAOYSA-N 0 0 447.576 5.253 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072215810 557342731 /nfs/dbraw/zinc/34/27/31/557342731.db2.gz DVIORNWVEDFFFL-HSZRJFAPSA-N 0 0 443.547 6.132 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222487709 557342957 /nfs/dbraw/zinc/34/29/57/557342957.db2.gz FMMVSTRAEILBHQ-VWLOTQADSA-N 0 0 436.640 5.557 40 0 IKABRN Cc1ccsc1-c1nnc(SCC(=O)c2cccs2)nc1-c1sccc1C ZINC000013566489 557344817 /nfs/dbraw/zinc/34/48/17/557344817.db2.gz MROSCXQQLUQOSC-UHFFFAOYSA-N 0 0 429.617 5.982 40 0 IKABRN COc1ccc(-c2nnc(SCC(=O)c3cccs3)nc2-c2ccc(OC)cc2)cc1 ZINC000013566626 557345230 /nfs/dbraw/zinc/34/52/30/557345230.db2.gz LNUCJWJMFDDMPM-UHFFFAOYSA-N 0 0 449.557 5.259 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000222508815 557346130 /nfs/dbraw/zinc/34/61/30/557346130.db2.gz PCSKMPSDESHIMP-JOCHJYFZSA-N 0 0 447.044 5.463 40 0 IKABRN Cc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)C1=O ZINC000101128605 557346654 /nfs/dbraw/zinc/34/66/54/557346654.db2.gz LNTRJTHXPKASLK-SDHSZQHLSA-N 0 0 440.543 5.344 40 0 IKABRN Cc1ccc2c(c1)cc(CN(C(=S)Nc1cc(C)ccc1C)C1CCCC1)c1nnnn12 ZINC000013568279 557346883 /nfs/dbraw/zinc/34/68/83/557346883.db2.gz FUZFZLAJRNSNBZ-UHFFFAOYSA-N 0 0 444.608 5.344 40 0 IKABRN CCc1ccccc1NC(=O)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCCC1 ZINC000013568282 557346886 /nfs/dbraw/zinc/34/68/86/557346886.db2.gz XICNOQQSZRPFSF-UHFFFAOYSA-N 0 0 442.567 5.515 40 0 IKABRN Cc1ccc2c(c1)cc(CN(C(=S)Nc1cccc(C)c1C)C1CCCC1)c1nnnn12 ZINC000013568277 557346893 /nfs/dbraw/zinc/34/68/93/557346893.db2.gz SCEYBPFJDDGWJR-UHFFFAOYSA-N 0 0 444.608 5.344 40 0 IKABRN Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1Cl)C1CCCCC1)c1nnnn12 ZINC000013568288 557347213 /nfs/dbraw/zinc/34/72/13/557347213.db2.gz CZUFJOVICLRPJP-UHFFFAOYSA-N 0 0 448.958 5.606 40 0 IKABRN Cc1ccc(Cn2cc(-c3ccccc3)nc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013568328 557347282 /nfs/dbraw/zinc/34/72/82/557347282.db2.gz ZLKXHEBNWHGPGC-UHFFFAOYSA-N 0 0 447.991 6.291 40 0 IKABRN CN(c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1)S(=O)(=O)c1ccccc1 ZINC000222529090 557347851 /nfs/dbraw/zinc/34/78/51/557347851.db2.gz RBOQFIFELYXBNR-UHFFFAOYSA-N 0 0 435.332 5.071 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000222537643 557348340 /nfs/dbraw/zinc/34/83/40/557348340.db2.gz FPIMEBVJLXHSBG-HSZRJFAPSA-N 0 0 445.003 5.139 40 0 IKABRN CCC[C@H](C)NC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584279 557349265 /nfs/dbraw/zinc/34/92/65/557349265.db2.gz GCUDOYMQCPEVHA-KRWDZBQOSA-N 0 0 444.622 5.094 40 0 IKABRN CCC[C@@H](C)NC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584276 557349276 /nfs/dbraw/zinc/34/92/76/557349276.db2.gz GCUDOYMQCPEVHA-QGZVFWFLSA-N 0 0 444.622 5.094 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 ZINC000222544349 557349350 /nfs/dbraw/zinc/34/93/50/557349350.db2.gz LHDGOPWSRSYYOL-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl ZINC000222549817 557349829 /nfs/dbraw/zinc/34/98/29/557349829.db2.gz DIAXIYXSHRIPIH-MBSDFSHPSA-N 0 0 445.003 5.003 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 ZINC000222551015 557350135 /nfs/dbraw/zinc/35/01/35/557350135.db2.gz IBHCFBPFIUKVOP-JOCHJYFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC(C)n1c(Cl)nc2cc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)ccc21 ZINC000222555070 557351038 /nfs/dbraw/zinc/35/10/38/557351038.db2.gz ZKVOWAYDFPEHHD-UHFFFAOYSA-N 0 0 428.319 6.114 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000222556363 557351227 /nfs/dbraw/zinc/35/12/27/557351227.db2.gz CPYUOIAAANIDMX-JOCHJYFZSA-N 0 0 447.044 5.214 40 0 IKABRN Cc1cc(C)cc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000044792039 557351506 /nfs/dbraw/zinc/35/15/06/557351506.db2.gz YSLKEVWDCBSIBH-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000044791889 557351519 /nfs/dbraw/zinc/35/15/19/557351519.db2.gz HVNFCZDMXURIPN-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN CCc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000044792246 557351536 /nfs/dbraw/zinc/35/15/36/557351536.db2.gz OATKCQBTCXRJJW-UHFFFAOYSA-N 0 0 442.968 5.045 40 0 IKABRN FC(F)(F)c1ccc2c(c1)nnn2C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000013561714 557352048 /nfs/dbraw/zinc/35/20/48/557352048.db2.gz YOZBPXPDLZJNFC-UHFFFAOYSA-N 0 0 429.273 5.594 40 0 IKABRN CC(C)(C)n1nnnc1[C@H](c1cccnc1)N(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000013561865 557352396 /nfs/dbraw/zinc/35/23/96/557352396.db2.gz HZTURXGBUQKPBZ-QHCPKHFHSA-N 0 0 446.986 5.268 40 0 IKABRN Cc1cc2cc(CN(CCc3ccc(Cl)cc3)C(=O)C3CC3)c(Cl)nc2cc1C ZINC000013562016 557352541 /nfs/dbraw/zinc/35/25/41/557352541.db2.gz ZWBWJKLSZMCDPH-UHFFFAOYSA-N 0 0 427.375 6.140 40 0 IKABRN CCc1ccc2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CCC3)cc2c1 ZINC000013562027 557352641 /nfs/dbraw/zinc/35/26/41/557352641.db2.gz HIWUUIFTBQYKOE-UHFFFAOYSA-N 0 0 441.402 6.475 40 0 IKABRN Cc1ccc(C)c2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CC3)cc12 ZINC000013562015 557352668 /nfs/dbraw/zinc/35/26/68/557352668.db2.gz ZZBHQGNJZBPEAE-UHFFFAOYSA-N 0 0 427.375 6.140 40 0 IKABRN C[C@@H]1CCCC[C@H]1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1 ZINC000013562291 557352826 /nfs/dbraw/zinc/35/28/26/557352826.db2.gz HUPHXNZALDIWMI-OXQOHEQNSA-N 0 0 432.033 6.106 40 0 IKABRN C[C@H]1CCCC[C@@H]1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1 ZINC000013562289 557352910 /nfs/dbraw/zinc/35/29/10/557352910.db2.gz HUPHXNZALDIWMI-JXFKEZNVSA-N 0 0 432.033 6.106 40 0 IKABRN FC(F)(F)c1cccc(CNc2c3c(nc4cc(-c5cccc(Cl)c5)nn42)CCC3)c1 ZINC000013562661 557353044 /nfs/dbraw/zinc/35/30/44/557353044.db2.gz RQDPWMJJSDFPQX-UHFFFAOYSA-N 0 0 442.872 6.169 40 0 IKABRN Fc1cccc(-c2cc3nc4c(c(NCc5cccc(C(F)(F)F)c5)n3n2)CCC4)c1 ZINC000013562657 557353206 /nfs/dbraw/zinc/35/32/06/557353206.db2.gz PPORWPJZNSFIOD-UHFFFAOYSA-N 0 0 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557386574 /nfs/dbraw/zinc/38/65/74/557386574.db2.gz GBXVRWBCKXRPMN-MRXNPFEDSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1ccc(SCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222785234 557386796 /nfs/dbraw/zinc/38/67/96/557386796.db2.gz RHWILUAUPANSCW-QGZVFWFLSA-N 0 0 433.017 5.073 40 0 IKABRN O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000222800308 557387883 /nfs/dbraw/zinc/38/78/83/557387883.db2.gz IUIQSQOTFCAZQD-UHFFFAOYSA-N 0 0 427.375 5.675 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000222799733 557387911 /nfs/dbraw/zinc/38/79/11/557387911.db2.gz RHABRGSKHJWXDC-HXUWFJFHSA-N 0 0 439.358 5.007 40 0 IKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222802317 557388193 /nfs/dbraw/zinc/38/81/93/557388193.db2.gz ZJSHWLFHGVBYQL-MOPGFXCFSA-N 0 0 428.355 5.097 40 0 IKABRN COc1cccc(CC(=O)N2CCC[C@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)c1 ZINC000072370056 557388699 /nfs/dbraw/zinc/38/86/99/557388699.db2.gz KEZRDRVFUUPJDG-QFIPXVFZSA-N 0 0 430.548 5.023 40 0 IKABRN Cc1ccc(OCCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222809162 557389011 /nfs/dbraw/zinc/38/90/11/557389011.db2.gz XVRAKXHGWUFAOK-IBGZPJMESA-N 0 0 445.003 5.139 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 ZINC000222813297 557389529 /nfs/dbraw/zinc/38/95/29/557389529.db2.gz ZQWLAPTYXSFWKT-GOSISDBHSA-N 0 0 447.044 5.295 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222816129 557389790 /nfs/dbraw/zinc/38/97/90/557389790.db2.gz ADPLYNOHRFLMIR-SFHVURJKSA-N 0 0 429.004 5.167 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222816184 557389917 /nfs/dbraw/zinc/38/99/17/557389917.db2.gz ADPLYNOHRFLMIR-GOSISDBHSA-N 0 0 429.004 5.167 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000222817883 557390077 /nfs/dbraw/zinc/39/00/77/557390077.db2.gz IXYMBRXIDYFHMA-MRXNPFEDSA-N 0 0 435.395 5.258 40 0 IKABRN Cc1cccc(CSCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222820514 557390120 /nfs/dbraw/zinc/39/01/20/557390120.db2.gz PFEVHIXEYWGEJK-GOSISDBHSA-N 0 0 447.044 5.214 40 0 IKABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C ZINC000222821538 557390327 /nfs/dbraw/zinc/39/03/27/557390327.db2.gz YFOIAOAWKPCINW-GOSISDBHSA-N 0 0 445.003 5.174 40 0 IKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1 ZINC000222827635 557391019 /nfs/dbraw/zinc/39/10/19/557391019.db2.gz PGXWQDBFJXHORF-ORQKMDSUSA-N 0 0 448.588 5.028 40 0 IKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1 ZINC000222827708 557391045 /nfs/dbraw/zinc/39/10/45/557391045.db2.gz PGXWQDBFJXHORF-ZOLHPDHPSA-N 0 0 448.588 5.028 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](C)Oc1ccccc1 ZINC000013850148 557391233 /nfs/dbraw/zinc/39/12/33/557391233.db2.gz HCNKNKGYJXRSBR-HNNXBMFYSA-N 0 0 430.961 5.131 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870836 557391841 /nfs/dbraw/zinc/39/18/41/557391841.db2.gz NSHIRLANGGSRPM-MRXNPFEDSA-N 0 0 444.988 5.439 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870832 557391878 /nfs/dbraw/zinc/39/18/78/557391878.db2.gz VNGRTCODBJGKRW-MRXNPFEDSA-N 0 0 444.988 5.439 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870827 557391889 /nfs/dbraw/zinc/39/18/89/557391889.db2.gz LJBUJACFZVIRHF-HNNXBMFYSA-N 0 0 430.961 5.131 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Br)cc3)n2C)cc1 ZINC000013871199 557392039 /nfs/dbraw/zinc/39/20/39/557392039.db2.gz YMKBIVDUBXFYFW-CQSZACIVSA-N 0 0 432.387 5.572 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3Cl)n2CC)cc1 ZINC000013870846 557392042 /nfs/dbraw/zinc/39/20/42/557392042.db2.gz YLBMKTPUJPGGBU-OAHLLOKOSA-N 0 0 444.988 5.385 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870913 557392070 /nfs/dbraw/zinc/39/20/70/557392070.db2.gz HONNFDBAPKTHTQ-INIZCTEOSA-N 0 0 444.988 5.439 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1 ZINC000013871309 557392124 /nfs/dbraw/zinc/39/21/24/557392124.db2.gz JBUBOMLUDCEVBC-OAHLLOKOSA-N 0 0 444.988 5.210 40 0 IKABRN C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222837765 557392187 /nfs/dbraw/zinc/39/21/87/557392187.db2.gz XRRVXTZNDSRPRV-HXUWFJFHSA-N 0 0 438.999 5.307 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3C)n2CC)cc1 ZINC000013871542 557392329 /nfs/dbraw/zinc/39/23/29/557392329.db2.gz YSDNVILNURKQIL-SFHVURJKSA-N 0 0 438.597 5.348 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2CC)cc1 ZINC000013871458 557392351 /nfs/dbraw/zinc/39/23/51/557392351.db2.gz IGXCGSYBIGRGLB-AWEZNQCLSA-N 0 0 436.408 6.600 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3Cl)n2CC)cc1 ZINC000013871528 557392421 /nfs/dbraw/zinc/39/24/21/557392421.db2.gz RLNSEXCLAZLXKQ-HNNXBMFYSA-N 0 0 444.988 5.385 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)cc1 ZINC000013871357 557392440 /nfs/dbraw/zinc/39/24/40/557392440.db2.gz QPAAOBIPBDVRJS-OAHLLOKOSA-N 0 0 444.988 5.210 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000222841611 557392603 /nfs/dbraw/zinc/39/26/03/557392603.db2.gz KBATUKIETVIYPJ-VQTJNVASSA-N 0 0 441.398 5.016 40 0 IKABRN Brc1ccc(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc12 ZINC000115853062 557392941 /nfs/dbraw/zinc/39/29/41/557392941.db2.gz LELMSURPXIAXOW-UHFFFAOYSA-N 0 0 440.138 6.489 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)ccc1Cl ZINC000222842757 557392943 /nfs/dbraw/zinc/39/29/43/557392943.db2.gz KVSCSJYQCPLGPU-ZDUSSCGKSA-N 0 0 432.800 5.772 40 0 IKABRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000013879626 557392926 /nfs/dbraw/zinc/39/29/26/557392926.db2.gz QYKCBFGOKYAHMI-UHFFFAOYSA-N 0 0 448.951 5.017 40 0 IKABRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000013899847 557393044 /nfs/dbraw/zinc/39/30/44/557393044.db2.gz CKXXAPNHTLEPRB-UHFFFAOYSA-N 0 0 443.282 5.561 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000222844966 557393073 /nfs/dbraw/zinc/39/30/73/557393073.db2.gz SOSACDURFIGANP-NRFANRHFSA-N 0 0 448.994 5.350 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222846714 557393155 /nfs/dbraw/zinc/39/31/55/557393155.db2.gz WDTASKXIXOXWRB-UXHICEINSA-N 0 0 442.382 5.485 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc21 ZINC000222845129 557393195 /nfs/dbraw/zinc/39/31/95/557393195.db2.gz KPQNMAMUAOVYEK-SANMLTNESA-N 0 0 446.591 5.113 40 0 IKABRN Brc1ccc(CSc2nnc(Cc3ccc(Br)cc3)o2)cc1 ZINC000010475617 557394351 /nfs/dbraw/zinc/39/43/51/557394351.db2.gz CMCHWIUVQQDZBV-UHFFFAOYSA-N 0 0 440.160 5.478 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000222853151 557394473 /nfs/dbraw/zinc/39/44/73/557394473.db2.gz POMAELODHMXGQL-SFHVURJKSA-N 0 0 447.044 5.295 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222856059 557394936 /nfs/dbraw/zinc/39/49/36/557394936.db2.gz BTFNIJLYBQLJKV-GOSISDBHSA-N 0 0 429.004 5.167 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C ZINC000013842441 557395085 /nfs/dbraw/zinc/39/50/85/557395085.db2.gz PZXOTDOEXHHDLF-UHFFFAOYSA-N 0 0 444.988 5.210 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000222886691 557398287 /nfs/dbraw/zinc/39/82/87/557398287.db2.gz KSSFFKGUKNRSFL-UXHICEINSA-N 0 0 441.398 5.017 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000222886816 557398546 /nfs/dbraw/zinc/39/85/46/557398546.db2.gz KSSFFKGUKNRSFL-WOJBJXKFSA-N 0 0 441.398 5.017 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222889410 557399062 /nfs/dbraw/zinc/39/90/62/557399062.db2.gz NKFDCTZRJPUQMU-HNNXBMFYSA-N 0 0 439.408 5.029 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222890560 557399098 /nfs/dbraw/zinc/39/90/98/557399098.db2.gz GODMKFKOOGCCGQ-VWLOTQADSA-N 0 0 438.612 5.083 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222891103 557399108 /nfs/dbraw/zinc/39/91/08/557399108.db2.gz NJWUBKDOZJDNNO-PMACEKPBSA-N 0 0 429.998 5.862 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222893919 557399634 /nfs/dbraw/zinc/39/96/34/557399634.db2.gz HVWKCPYBLKGGGO-UXHICEINSA-N 0 0 432.376 6.031 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222894047 557399659 /nfs/dbraw/zinc/39/96/59/557399659.db2.gz HVWKCPYBLKGGGO-WOJBJXKFSA-N 0 0 432.376 6.031 40 0 IKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000222893348 557399674 /nfs/dbraw/zinc/39/96/74/557399674.db2.gz SYBWDRGYLHIBCJ-RJDQKLELSA-N 0 0 446.616 6.002 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222900060 557400438 /nfs/dbraw/zinc/40/04/38/557400438.db2.gz KDDDGNOLNSRLAT-LJQANCHMSA-N 0 0 434.555 5.244 40 0 IKABRN O=C(NCc1ccc(F)cc1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 ZINC000013992096 557400441 /nfs/dbraw/zinc/40/04/41/557400441.db2.gz KBACSNSFCLNXJV-UHFFFAOYSA-N 0 0 445.544 6.156 40 0 IKABRN COc1ccc(CNC(=O)c2ccc3nc(-c4ccoc4)c(-c4ccoc4)nc3c2)cc1 ZINC000013992068 557400448 /nfs/dbraw/zinc/40/04/48/557400448.db2.gz SLZJFBNSQGKAEZ-UHFFFAOYSA-N 0 0 425.444 5.088 40 0 IKABRN O=C(NCc1ccccc1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 ZINC000013992088 557400469 /nfs/dbraw/zinc/40/04/69/557400469.db2.gz UULFWKNZCQSYDZ-UHFFFAOYSA-N 0 0 427.554 6.017 40 0 IKABRN COc1ccc(NC(=O)c2ccc3nc(-c4ccsc4)c(-c4ccsc4)nc3c2)cc1 ZINC000013992111 557400483 /nfs/dbraw/zinc/40/04/83/557400483.db2.gz VQWZYDNQAOFAPY-UHFFFAOYSA-N 0 0 443.553 6.348 40 0 IKABRN COc1cc([C@H]2S[C@@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccccc1Cl ZINC000013995223 557401405 /nfs/dbraw/zinc/40/14/05/557401405.db2.gz UBLNCNSKHJWTLR-RNODOKPDSA-N 0 0 443.956 5.122 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(I)cc1 ZINC000222908740 557401508 /nfs/dbraw/zinc/40/15/08/557401508.db2.gz SGYILCQENKRYDU-SFHVURJKSA-N 0 0 437.321 5.385 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222909142 557401547 /nfs/dbraw/zinc/40/15/47/557401547.db2.gz DYUQFSBZFIGBDJ-LEWJYISDSA-N 0 0 433.606 5.111 40 0 IKABRN COc1cccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1OC ZINC000013995352 557401687 /nfs/dbraw/zinc/40/16/87/557401687.db2.gz UQYJHHINUISCIB-RBZFPXEDSA-N 0 0 443.956 5.015 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222910746 557401745 /nfs/dbraw/zinc/40/17/45/557401745.db2.gz ODQSOEQUYQRMAL-LEWJYISDSA-N 0 0 428.964 5.293 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222911548 557401776 /nfs/dbraw/zinc/40/17/76/557401776.db2.gz QLEPOUJFUVZXFC-LEWJYISDSA-N 0 0 445.419 5.808 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000222916204 557402302 /nfs/dbraw/zinc/40/23/02/557402302.db2.gz ONTVAOZQNNWCDL-VWLOTQADSA-N 0 0 433.617 7.073 40 0 IKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000013997856 557402507 /nfs/dbraw/zinc/40/25/07/557402507.db2.gz HZTCLKQSAZLKOT-XNTDXEJSSA-N 0 0 440.952 5.410 40 0 IKABRN C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222919006 557402604 /nfs/dbraw/zinc/40/26/04/557402604.db2.gz SJVUPHIYYZPDDL-NRFANRHFSA-N 0 0 436.571 5.182 40 0 IKABRN Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000013999920 557403172 /nfs/dbraw/zinc/40/31/72/557403172.db2.gz RYJCDKZSRDJVHH-UHFFFAOYSA-N 0 0 425.528 5.345 40 0 IKABRN Cc1ccc2c(C(=O)CN3CCC4(CC3)CC(=O)c3cc(Cl)c(C)cc3O4)c[nH]c2c1 ZINC000014000045 557403253 /nfs/dbraw/zinc/40/32/53/557403253.db2.gz GBMXYSHWOORLJR-UHFFFAOYSA-N 0 0 436.939 5.121 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222930503 557404538 /nfs/dbraw/zinc/40/45/38/557404538.db2.gz IHIQGDJFWSBKLR-LEWJYISDSA-N 0 0 444.526 5.520 40 0 IKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118912504 557404620 /nfs/dbraw/zinc/40/46/20/557404620.db2.gz FFLGORGANMRISQ-JCTFYIHCSA-N 0 0 432.733 7.076 40 0 IKABRN Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)ccc1Cl ZINC000222934328 557405005 /nfs/dbraw/zinc/40/50/05/557405005.db2.gz DAFIHYSMFLDSDV-YADHBBJMSA-N 0 0 425.001 5.463 40 0 IKABRN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)ccc1Cl ZINC000222934397 557405019 /nfs/dbraw/zinc/40/50/19/557405019.db2.gz DAFIHYSMFLDSDV-FCHUYYIVSA-N 0 0 425.001 5.463 40 0 IKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914730 557405184 /nfs/dbraw/zinc/40/51/84/557405184.db2.gz SFKSZNDXMPANHH-ARILJOLPSA-N 0 0 444.700 7.030 40 0 IKABRN CC1=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]4[C@H](C[C@H]3[C@@H]2C1)O[C@]1(CC[C@H](C)CO1)[C@H]4C ZINC000118914390 557405220 /nfs/dbraw/zinc/40/52/20/557405220.db2.gz RJQCTQMDJCNDGK-VAMZPLMNSA-N 0 0 428.657 6.104 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222935839 557405254 /nfs/dbraw/zinc/40/52/54/557405254.db2.gz UICNGIDICRHLOQ-NHCUHLMSSA-N 0 0 444.025 6.108 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222934944 557405289 /nfs/dbraw/zinc/40/52/89/557405289.db2.gz AULNSWPJKUXRNF-LOSJGSFVSA-N 0 0 426.589 5.654 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@](C)(CCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915030 557405515 /nfs/dbraw/zinc/40/55/15/557405515.db2.gz QXDFHJAYYMOLSW-ZKOFTHTHSA-N 0 0 436.680 7.600 40 0 IKABRN O=C(NCCCNc1ccnc2cc(Cl)ccc21)C(c1ccccc1)c1ccccc1 ZINC000222936527 557405552 /nfs/dbraw/zinc/40/55/52/557405552.db2.gz BWDZVCPQAOASSY-UHFFFAOYSA-N 0 0 429.951 5.639 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222938884 557405735 /nfs/dbraw/zinc/40/57/35/557405735.db2.gz WRWGYSCEIZRZMA-RTWAWAEBSA-N 0 0 446.403 6.277 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@](O)(CCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915129 557405787 /nfs/dbraw/zinc/40/57/87/557405787.db2.gz OSYGNEOCCSKLON-POFSMYHLSA-N 0 0 438.652 6.325 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222938403 557405771 /nfs/dbraw/zinc/40/57/71/557405771.db2.gz FCCTUFMXUMGRBQ-LEWJYISDSA-N 0 0 446.403 6.277 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000222938812 557405810 /nfs/dbraw/zinc/40/58/10/557405810.db2.gz YCAKVPMTEKXWSG-FCHUYYIVSA-N 0 0 425.569 5.569 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222938611 557405827 /nfs/dbraw/zinc/40/58/27/557405827.db2.gz AOSTYOXDYRIJJG-RTWAWAEBSA-N 0 0 446.403 6.277 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222938945 557405846 /nfs/dbraw/zinc/40/58/46/557405846.db2.gz WRWGYSCEIZRZMA-LEWJYISDSA-N 0 0 446.403 6.277 40 0 IKABRN CCCCO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118916874 557406071 /nfs/dbraw/zinc/40/60/71/557406071.db2.gz RNIJCNIWUSGVHJ-NWUHMLPSSA-N 0 0 442.772 9.213 40 0 IKABRN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1Cl ZINC000222941205 557406264 /nfs/dbraw/zinc/40/62/64/557406264.db2.gz NOGJINAOFWGBQI-FGZHOGPDSA-N 0 0 425.985 5.932 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000222941912 557406375 /nfs/dbraw/zinc/40/63/75/557406375.db2.gz CSDYHHPMZKLTMU-HXUWFJFHSA-N 0 0 441.959 5.504 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000222942240 557406410 /nfs/dbraw/zinc/40/64/10/557406410.db2.gz USUYEQPXHNRXCY-SFHVURJKSA-N 0 0 427.570 5.302 40 0 IKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C=C[C@]12C ZINC000118924586 557406522 /nfs/dbraw/zinc/40/65/22/557406522.db2.gz SWHWAFFISKDSIL-JGHQURMISA-N 0 0 430.629 5.942 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000222942947 557406604 /nfs/dbraw/zinc/40/66/04/557406604.db2.gz OLCNVXUWGGUAAR-AREMUKBSSA-N 0 0 430.592 5.147 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000222942879 557406653 /nfs/dbraw/zinc/40/66/53/557406653.db2.gz OLCNVXUWGGUAAR-SANMLTNESA-N 0 0 430.592 5.147 40 0 IKABRN CNS[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118928394 557406840 /nfs/dbraw/zinc/40/68/40/557406840.db2.gz HTHNWQMPMKADST-PXBBAZSNSA-N 0 0 431.774 8.264 40 0 IKABRN CCSC1(SCC)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118929215 557406856 /nfs/dbraw/zinc/40/68/56/557406856.db2.gz ZXXFJBWMFVMIFM-ZYODCECPSA-N 0 0 436.727 7.083 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000222948003 557407175 /nfs/dbraw/zinc/40/71/75/557407175.db2.gz LEDPIVYVPIAUKV-INIZCTEOSA-N 0 0 435.395 5.258 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222949376 557407313 /nfs/dbraw/zinc/40/73/13/557407313.db2.gz FBVTWSGZPQLNDA-QFIPXVFZSA-N 0 0 449.422 5.506 40 0 IKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000222951663 557407575 /nfs/dbraw/zinc/40/75/75/557407575.db2.gz NERSHWJNYCPQPQ-LJQANCHMSA-N 0 0 426.409 5.817 40 0 IKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000222952831 557407588 /nfs/dbraw/zinc/40/75/88/557407588.db2.gz WEKRESODHUVXGL-LJQANCHMSA-N 0 0 426.409 5.817 40 0 IKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000222952892 557407652 /nfs/dbraw/zinc/40/76/52/557407652.db2.gz WEKRESODHUVXGL-IBGZPJMESA-N 0 0 426.409 5.817 40 0 IKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222954091 557407687 /nfs/dbraw/zinc/40/76/87/557407687.db2.gz ANUZZIGHGDWMEO-LEWJYISDSA-N 0 0 433.606 5.255 40 0 IKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000222955083 557407912 /nfs/dbraw/zinc/40/79/12/557407912.db2.gz ISKNCLMOKHKGDL-RDPSFJRHSA-N 0 0 430.548 5.591 40 0 IKABRN CO[C@]12C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H](C)[C@@]1(CC[C@H](C)CO1)O2 ZINC000118936391 557407909 /nfs/dbraw/zinc/40/79/09/557407909.db2.gz MZKXAXQZGWDJRJ-JWLOUULQSA-N 0 0 446.672 5.768 40 0 IKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5OC[C@@H](O)C[C@H]5C[C@]4(C)[C@H]3CC[C@]12C ZINC000118936403 557407937 /nfs/dbraw/zinc/40/79/37/557407937.db2.gz HIKOFMOIGVJKRE-IEUODFCESA-N 0 0 444.744 7.484 40 0 IKABRN CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(Br)c1 ZINC000222955819 557407948 /nfs/dbraw/zinc/40/79/48/557407948.db2.gz WEDFWQHERSNXTQ-MRXNPFEDSA-N 0 0 430.386 5.708 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222955706 557407966 /nfs/dbraw/zinc/40/79/66/557407966.db2.gz PLKPEZKBCVZJJR-NHCUHLMSSA-N 0 0 428.964 5.437 40 0 IKABRN C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc2c(c1)CCCC2 ZINC000222956065 557407975 /nfs/dbraw/zinc/40/79/75/557407975.db2.gz XESGBXQDMYWYGS-MRXNPFEDSA-N 0 0 438.365 5.737 40 0 IKABRN CCOC1=CC(=O)O[C@@]2(CC[C@@]3(C)[C@H](CC[C@H]4[C@@H]5CC[C@H](OC(C)=O)[C@@]5(C)CC[C@@H]43)C2)C1 ZINC000118936515 557407954 /nfs/dbraw/zinc/40/79/54/557407954.db2.gz KBYQUXJAZCAIJT-JSMPPCJXSA-N 0 0 444.612 5.567 40 0 IKABRN COc1c2c(c(OC)c3ccccc31)[C@H]1O[C@@H]2[C@@H]2[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000025694483 557410124 /nfs/dbraw/zinc/41/01/24/557410124.db2.gz BPGDPTLAGQOQTD-LGYLPXCHSA-N 0 0 432.519 6.506 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222976275 557410464 /nfs/dbraw/zinc/41/04/64/557410464.db2.gz HQMSDXUASKQMBJ-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222980660 557410664 /nfs/dbraw/zinc/41/06/64/557410664.db2.gz DGWPPPLATBCRGM-RTWAWAEBSA-N 0 0 444.025 6.252 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000222983228 557411323 /nfs/dbraw/zinc/41/13/23/557411323.db2.gz HARLHRCPSUBARB-AWEZNQCLSA-N 0 0 439.358 5.007 40 0 IKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222983412 557411356 /nfs/dbraw/zinc/41/13/56/557411356.db2.gz MLGPINVKNPMTJX-SFTDATJTSA-N 0 0 446.403 6.421 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222983465 557411431 /nfs/dbraw/zinc/41/14/31/557411431.db2.gz MLGPINVKNPMTJX-RTWAWAEBSA-N 0 0 446.403 6.421 40 0 IKABRN Cc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222984226 557411580 /nfs/dbraw/zinc/41/15/80/557411580.db2.gz WQONJRMKWCEBPD-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000222984190 557411587 /nfs/dbraw/zinc/41/15/87/557411587.db2.gz KKZXXHKKBJROGX-VXKWHMMOSA-N 0 0 425.985 6.076 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000222985614 557411834 /nfs/dbraw/zinc/41/18/34/557411834.db2.gz JGBBAFHIRJQOEU-FGZHOGPDSA-N 0 0 425.985 6.076 40 0 IKABRN CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222988884 557412521 /nfs/dbraw/zinc/41/25/21/557412521.db2.gz JATUCSGZBIMKMN-JOCHJYFZSA-N 0 0 449.422 5.506 40 0 IKABRN CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222988738 557412550 /nfs/dbraw/zinc/41/25/50/557412550.db2.gz XZZDYVXXHBTAKU-OAQYLSRUSA-N 0 0 435.395 5.116 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 ZINC000222996781 557413391 /nfs/dbraw/zinc/41/33/91/557413391.db2.gz OBQJMMHXVFCEPS-SFHVURJKSA-N 0 0 433.017 5.074 40 0 IKABRN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000223008488 557414687 /nfs/dbraw/zinc/41/46/87/557414687.db2.gz PAIPYOIFEBXJIQ-QGZVFWFLSA-N 0 0 428.979 5.447 40 0 IKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000223014690 557415566 /nfs/dbraw/zinc/41/55/66/557415566.db2.gz LXTAGJYOMWYUGO-LJQANCHMSA-N 0 0 446.827 6.162 40 0 IKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000223013584 557415627 /nfs/dbraw/zinc/41/56/27/557415627.db2.gz KRPXZNNGOWDIFP-IBGZPJMESA-N 0 0 446.827 6.162 40 0 IKABRN Cc1ccc(C)c(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223016388 557415870 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CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl ZINC000223046763 557420699 /nfs/dbraw/zinc/42/06/99/557420699.db2.gz GXZAGLSCALAFBB-IBGZPJMESA-N 0 0 447.044 5.215 40 0 IKABRN COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc(OC)c1OC ZINC000014132166 557421166 /nfs/dbraw/zinc/42/11/66/557421166.db2.gz JCPZNEKOTXTQDH-FYJGNVAPSA-N 0 0 435.501 5.102 40 0 IKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1OCC ZINC000014132251 557421193 /nfs/dbraw/zinc/42/11/93/557421193.db2.gz COXUSIAWLMRZBI-HZHRSRAPSA-N 0 0 433.529 5.874 40 0 IKABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000223049798 557421171 /nfs/dbraw/zinc/42/11/71/557421171.db2.gz KUECOBNSNQJEFV-DHIUTWEWSA-N 0 0 426.630 5.014 40 0 IKABRN COc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)c2ccccc12 ZINC000014132122 557421231 /nfs/dbraw/zinc/42/12/31/557421231.db2.gz ACGHAKGROONEPX-BUVRLJJBSA-N 0 0 425.509 6.238 40 0 IKABRN COc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223053020 557422149 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Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000014153348 557423910 /nfs/dbraw/zinc/42/39/10/557423910.db2.gz PWAISFMRHZPFHO-QGOAFFKASA-N 0 0 442.540 5.601 40 0 IKABRN Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Cl)c1 ZINC000014153865 557424516 /nfs/dbraw/zinc/42/45/16/557424516.db2.gz CZNLZIUGJZHKLT-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223065166 557424573 /nfs/dbraw/zinc/42/45/73/557424573.db2.gz LRUCEVUKYNZTLF-HHHXNRCGSA-N 0 0 442.603 5.176 40 0 IKABRN Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000014163158 557424816 /nfs/dbraw/zinc/42/48/16/557424816.db2.gz MYNQWOMIFDXIAF-AREMUKBSSA-N 0 0 443.978 5.876 40 0 IKABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223068367 557425283 /nfs/dbraw/zinc/42/52/83/557425283.db2.gz PAOYHAJZDHVWJV-DQEYMECFSA-N 0 0 442.588 5.035 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223072622 557426056 /nfs/dbraw/zinc/42/60/56/557426056.db2.gz MDCDMFNNWRBNMQ-WOJBJXKFSA-N 0 0 443.031 5.728 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 ZINC000223072482 557426106 /nfs/dbraw/zinc/42/61/06/557426106.db2.gz WOPDGMJGVCCCNI-MOPGFXCFSA-N 0 0 429.004 5.167 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2)cc1 ZINC000014154563 557426129 /nfs/dbraw/zinc/42/61/29/557426129.db2.gz XMZHMEAGLHIHRE-UHFFFAOYSA-N 0 0 426.379 6.611 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223075681 557426619 /nfs/dbraw/zinc/42/66/19/557426619.db2.gz VJYYAFOZJPNLIB-JOCHJYFZSA-N 0 0 436.640 5.559 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000223074654 557426679 /nfs/dbraw/zinc/42/66/79/557426679.db2.gz RVJKDHOHQIZRQY-IAGOWNOFSA-N 0 0 435.395 5.258 40 0 IKABRN CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000014155253 557426845 /nfs/dbraw/zinc/42/68/45/557426845.db2.gz MCSCJYCRFCUWEA-UHFFFAOYSA-N 0 0 426.563 5.078 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223076505 557426867 /nfs/dbraw/zinc/42/68/67/557426867.db2.gz UNFFXBYVNYZOIR-UHFFFAOYSA-N 0 0 425.315 5.839 40 0 IKABRN O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223076922 557426915 /nfs/dbraw/zinc/42/69/15/557426915.db2.gz IZOSBIWHBFXUMB-UHFFFAOYSA-N 0 0 443.305 5.978 40 0 IKABRN CSc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223078007 557427204 /nfs/dbraw/zinc/42/72/04/557427204.db2.gz MIJJICDRIQMUOF-UHFFFAOYSA-N 0 0 436.964 5.907 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cccc(C)c1 ZINC000223078806 557427438 /nfs/dbraw/zinc/42/74/38/557427438.db2.gz PNIOYZUGBJVXOO-OALUTQOASA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cccc(C)c1 ZINC000223078702 557427515 /nfs/dbraw/zinc/42/75/15/557427515.db2.gz PNIOYZUGBJVXOO-RBUKOAKNSA-N 0 0 447.044 5.214 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223079692 557427526 /nfs/dbraw/zinc/42/75/26/557427526.db2.gz DKUIMKVDLQAFDK-UHFFFAOYSA-N 0 0 443.305 5.978 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C(C)C ZINC000223080459 557427776 /nfs/dbraw/zinc/42/77/76/557427776.db2.gz OJYJQNNMDKFDCU-RTBURBONSA-N 0 0 445.003 5.174 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000223081106 557427894 /nfs/dbraw/zinc/42/78/94/557427894.db2.gz ATQACORTIPIRJA-UHFFFAOYSA-N 0 0 430.523 6.014 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223081348 557427979 /nfs/dbraw/zinc/42/79/79/557427979.db2.gz RIEVYQMOUINFTE-UHFFFAOYSA-N 0 0 430.523 6.103 40 0 IKABRN CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)c(Br)c1 ZINC000223081871 557428251 /nfs/dbraw/zinc/42/82/51/557428251.db2.gz IDHRLDHQEVWIHX-NRFANRHFSA-N 0 0 430.386 5.537 40 0 IKABRN CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223083082 557428362 /nfs/dbraw/zinc/42/83/62/557428362.db2.gz ASJMPJFOTXXJMG-IBGZPJMESA-N 0 0 436.777 5.628 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223083089 557428389 /nfs/dbraw/zinc/42/83/89/557428389.db2.gz YYAYSOFZJRDNRM-CABCVRRESA-N 0 0 439.358 5.007 40 0 IKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cc(Cl)ccc4Cl)ccc32)c1 ZINC000223083543 557428424 /nfs/dbraw/zinc/42/84/24/557428424.db2.gz KEUDFGXDAIGCDL-UHFFFAOYSA-N 0 0 439.342 6.147 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 ZINC000223085363 557428851 /nfs/dbraw/zinc/42/88/51/557428851.db2.gz UYQGOXVUFBJNNZ-HBVBNRCBSA-N 0 0 432.589 5.731 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccncc1 ZINC000223085767 557428877 /nfs/dbraw/zinc/42/88/77/557428877.db2.gz RDONNVHAQOBAAP-DQEYMECFSA-N 0 0 445.636 5.248 40 0 IKABRN Cc1cccc(C)c1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014269801 557428860 /nfs/dbraw/zinc/42/88/60/557428860.db2.gz ARDOSRGOOCHVFP-DHZHZOJOSA-N 0 0 445.371 6.397 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1cccnc1 ZINC000223085500 557428897 /nfs/dbraw/zinc/42/88/97/557428897.db2.gz GOFWYMMOSIIXQE-DQEYMECFSA-N 0 0 445.636 5.248 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1cccnc1 ZINC000223085445 557428932 /nfs/dbraw/zinc/42/89/32/557428932.db2.gz GOFWYMMOSIIXQE-LOSJGSFVSA-N 0 0 445.636 5.248 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 ZINC000014269725 557428912 /nfs/dbraw/zinc/42/89/12/557428912.db2.gz PICBQPBRAQAQFI-UHFFFAOYSA-N 0 0 445.544 5.555 40 0 IKABRN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1cccc2c(Cl)cccc12 ZINC000014269833 557428934 /nfs/dbraw/zinc/42/89/34/557428934.db2.gz RHVVKPJPUVAULA-UHFFFAOYSA-N 0 0 444.170 6.580 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccnc1 ZINC000223087136 557429112 /nfs/dbraw/zinc/42/91/12/557429112.db2.gz RZPBFPLYXCYLEP-DNQXCXABSA-N 0 0 431.609 5.189 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1 ZINC000014269860 557429121 /nfs/dbraw/zinc/42/91/21/557429121.db2.gz GMASZFOYHDGELG-UHFFFAOYSA-N 0 0 449.963 6.146 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccnc1 ZINC000223087192 557429169 /nfs/dbraw/zinc/42/91/69/557429169.db2.gz RZPBFPLYXCYLEP-RPWUZVMVSA-N 0 0 431.609 5.189 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1nccs1 ZINC000223086030 557429235 /nfs/dbraw/zinc/42/92/35/557429235.db2.gz JSWIITSIDVVCJH-SFTDATJTSA-N 0 0 437.638 5.251 40 0 IKABRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223088406 557429356 /nfs/dbraw/zinc/42/93/56/557429356.db2.gz FQFIJRPYBPTVJQ-DNQXCXABSA-N 0 0 432.593 5.186 40 0 IKABRN COc1c(C(=O)NC(=S)Nc2ccccc2Cl)cc2ccccc2c1Br ZINC000014270011 557429388 /nfs/dbraw/zinc/42/93/88/557429388.db2.gz UKVAFAMUTFINOA-UHFFFAOYSA-N 0 0 449.757 5.391 40 0 IKABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc3c(c2)oc2ccccc23)c(F)c1F ZINC000014270046 557429409 /nfs/dbraw/zinc/42/94/09/557429409.db2.gz DZOWFTPMUWTZLJ-UHFFFAOYSA-N 0 0 448.397 5.278 40 0 IKABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223088510 557429392 /nfs/dbraw/zinc/42/93/92/557429392.db2.gz FQFIJRPYBPTVJQ-BJKOFHAPSA-N 0 0 432.593 5.186 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccco1 ZINC000223088066 557429403 /nfs/dbraw/zinc/42/94/03/557429403.db2.gz HQKHZKXJXKYCSK-ZEQRLZLVSA-N 0 0 434.609 5.446 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(C)cc1C ZINC000014270026 557429421 /nfs/dbraw/zinc/42/94/21/557429421.db2.gz DAQMGHLSEGKKMP-UHFFFAOYSA-N 0 0 443.366 5.355 40 0 IKABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223088455 557429441 /nfs/dbraw/zinc/42/94/41/557429441.db2.gz FQFIJRPYBPTVJQ-RPWUZVMVSA-N 0 0 432.593 5.186 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccco1 ZINC000223087958 557429443 /nfs/dbraw/zinc/42/94/43/557429443.db2.gz HQKHZKXJXKYCSK-RPWUZVMVSA-N 0 0 434.609 5.446 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3O)nc2c1 ZINC000014270198 557429572 /nfs/dbraw/zinc/42/95/72/557429572.db2.gz HJQYPJHYDCXSBR-UHFFFAOYSA-N 0 0 445.544 5.506 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(CC)ccc4o3)c2)cc1 ZINC000014270312 557429705 /nfs/dbraw/zinc/42/97/05/557429705.db2.gz PHJRJNUEDIFBHT-UHFFFAOYSA-N 0 0 445.544 5.452 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc2c(C)c1 ZINC000014270833 557430041 /nfs/dbraw/zinc/43/00/41/557430041.db2.gz GFKGUKMGLQIWQU-UHFFFAOYSA-N 0 0 441.965 5.953 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223092187 557430099 /nfs/dbraw/zinc/43/00/99/557430099.db2.gz ZNERNCDMUFBZRP-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1Cl ZINC000014270766 557430096 /nfs/dbraw/zinc/43/00/96/557430096.db2.gz GSCRNQMYVVXMKH-UHFFFAOYSA-N 0 0 446.768 5.392 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1nc2c(cccc2Cl)s1 ZINC000014270794 557430118 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Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C ZINC000014271251 557430516 /nfs/dbraw/zinc/43/05/16/557430516.db2.gz JDSOAVJWBWSJEI-UHFFFAOYSA-N 0 0 443.528 5.429 40 0 IKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223094745 557430621 /nfs/dbraw/zinc/43/06/21/557430621.db2.gz KKENIXZSCMBRQO-HNNXBMFYSA-N 0 0 425.579 5.115 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl ZINC000223095196 557430624 /nfs/dbraw/zinc/43/06/24/557430624.db2.gz YKXOWCGZBHWRLD-LJQANCHMSA-N 0 0 447.044 5.215 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223095890 557430760 /nfs/dbraw/zinc/43/07/60/557430760.db2.gz FYLHQTLHETWWOT-LJQANCHMSA-N 0 0 447.044 5.464 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223095521 557430836 /nfs/dbraw/zinc/43/08/36/557430836.db2.gz LJOSJJILHKQPOX-IBGZPJMESA-N 0 0 447.044 5.215 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223096572 557431061 /nfs/dbraw/zinc/43/10/61/557431061.db2.gz QRXXFTYVSAFOCO-NRFANRHFSA-N 0 0 426.626 5.119 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1Cl ZINC000014271963 557431198 /nfs/dbraw/zinc/43/11/98/557431198.db2.gz ZOSIXKHXGPZBQM-UHFFFAOYSA-N 0 0 448.693 6.111 40 0 IKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000014272063 557431278 /nfs/dbraw/zinc/43/12/78/557431278.db2.gz LDUHTVFPDUAGEC-UHFFFAOYSA-N 0 0 444.943 7.437 40 0 IKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000014272193 557431488 /nfs/dbraw/zinc/43/14/88/557431488.db2.gz RGDVZEJRSOALCG-UHFFFAOYSA-N 0 0 441.314 6.598 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c(F)c1F ZINC000014272374 557431680 /nfs/dbraw/zinc/43/16/80/557431680.db2.gz AWECXVKLYSEZPI-UHFFFAOYSA-N 0 0 444.384 5.929 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000014272270 557431726 /nfs/dbraw/zinc/43/17/26/557431726.db2.gz DBSZXCBWVHKLAN-UHFFFAOYSA-N 0 0 440.543 6.238 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000014272245 557431739 /nfs/dbraw/zinc/43/17/39/557431739.db2.gz ZWUWWJQPYOXDSX-UHFFFAOYSA-N 0 0 441.314 6.679 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000223104607 557431813 /nfs/dbraw/zinc/43/18/13/557431813.db2.gz SBOVOMRYOLHVNH-VWLOTQADSA-N 0 0 443.006 5.837 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3o2)c1 ZINC000014272544 557431876 /nfs/dbraw/zinc/43/18/76/557431876.db2.gz DNNNDKCFSHJSPO-UHFFFAOYSA-N 0 0 441.314 6.436 40 0 IKABRN CCc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)ccc3o2)cc1 ZINC000014272528 557431889 /nfs/dbraw/zinc/43/18/89/557431889.db2.gz SJKQGQDQCAGGOQ-UHFFFAOYSA-N 0 0 444.384 5.875 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)c(Cl)c1 ZINC000014272622 557432155 /nfs/dbraw/zinc/43/21/55/557432155.db2.gz NGYGPUZVKIUMPU-UHFFFAOYSA-N 0 0 447.321 7.516 40 0 IKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000014272607 557432175 /nfs/dbraw/zinc/43/21/75/557432175.db2.gz VVQMCYVCJSUKJH-UHFFFAOYSA-N 0 0 441.314 6.598 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1 ZINC000014272724 557432194 /nfs/dbraw/zinc/43/21/94/557432194.db2.gz GVMIEUNAIYQBNB-UHFFFAOYSA-N 0 0 448.954 5.741 40 0 IKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000014272843 557432275 /nfs/dbraw/zinc/43/22/75/557432275.db2.gz OCZJFHUPJOEWIA-YCRREMRBSA-N 0 0 441.293 5.827 40 0 IKABRN CCCOC(=O)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000014272921 557432299 /nfs/dbraw/zinc/43/22/99/557432299.db2.gz LBYFVCOGBSLESO-UHFFFAOYSA-N 0 0 444.742 5.848 40 0 IKABRN CC[C@H](C)c1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1 ZINC000014272855 557432332 /nfs/dbraw/zinc/43/23/32/557432332.db2.gz TYVJNTXKTAFYKP-NSHDSACASA-N 0 0 441.163 5.986 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000014272947 557432380 /nfs/dbraw/zinc/43/23/80/557432380.db2.gz YEBZNOAEDILIQJ-UHFFFAOYSA-N 0 0 447.962 6.636 40 0 IKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000014272767 557432399 /nfs/dbraw/zinc/43/23/99/557432399.db2.gz KBUNPMUEVSXPAT-UHFFFAOYSA-N 0 0 442.563 5.993 40 0 IKABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223108865 557432502 /nfs/dbraw/zinc/43/25/02/557432502.db2.gz OZWCUZMAFSQNQU-DNQXCXABSA-N 0 0 432.593 5.186 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000223108124 557432515 /nfs/dbraw/zinc/43/25/15/557432515.db2.gz OSRHRDGJYUGKBE-CYBMUJFWSA-N 0 0 439.353 5.258 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(Cl)cc1 ZINC000223108816 557432534 /nfs/dbraw/zinc/43/25/34/557432534.db2.gz PMEBMCNCZUTIHV-IBGZPJMESA-N 0 0 439.408 5.029 40 0 IKABRN O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000014272974 557432524 /nfs/dbraw/zinc/43/25/24/557432524.db2.gz GGPHNBSKDAYCAG-UHFFFAOYSA-N 0 0 445.527 6.922 40 0 IKABRN Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)c1 ZINC000014273004 557432573 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443.758 5.876 40 0 IKABRN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000014273194 557432746 /nfs/dbraw/zinc/43/27/46/557432746.db2.gz XOYKBAYULMOBJO-UHFFFAOYSA-N 0 0 447.918 6.218 40 0 IKABRN CN1C(=O)c2ccc(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)cc2C1=O ZINC000014273171 557432809 /nfs/dbraw/zinc/43/28/09/557432809.db2.gz SCSHWXFSLOCLRC-JXMROGBWSA-N 0 0 441.270 5.131 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1C ZINC000223111105 557432981 /nfs/dbraw/zinc/43/29/81/557432981.db2.gz PDFFFVSUVQVZPQ-LOSJGSFVSA-N 0 0 430.621 5.794 40 0 IKABRN C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)c2C(N)=O)C1 ZINC000014273337 557433082 /nfs/dbraw/zinc/43/30/82/557433082.db2.gz ILRCMJQXOOSPPU-SNVBAGLBSA-N 0 0 449.359 5.791 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1C1CCCCC1 ZINC000223111503 557433256 /nfs/dbraw/zinc/43/32/56/557433256.db2.gz VUPXBOOJWIZGQF-FCHUYYIVSA-N 0 0 438.000 5.226 40 0 IKABRN 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557434312 /nfs/dbraw/zinc/43/43/12/557434312.db2.gz NRCAHGQLXJASEH-UHFFFAOYSA-N 0 0 441.516 5.089 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000223123872 557435036 /nfs/dbraw/zinc/43/50/36/557435036.db2.gz MCHMVNFSVLRINR-VWLOTQADSA-N 0 0 448.994 5.049 40 0 IKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000014396791 557435196 /nfs/dbraw/zinc/43/51/96/557435196.db2.gz BGWHJTHEPOITMA-VQTJNVASSA-N 0 0 444.575 5.881 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000014396793 557435290 /nfs/dbraw/zinc/43/52/90/557435290.db2.gz BGWHJTHEPOITMA-UXHICEINSA-N 0 0 444.575 5.881 40 0 IKABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1 ZINC000014397139 557435432 /nfs/dbraw/zinc/43/54/32/557435432.db2.gz IWMKISBVHBQPOH-UHFFFAOYSA-N 0 0 436.577 5.155 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223127680 557435665 /nfs/dbraw/zinc/43/56/65/557435665.db2.gz 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/nfs/dbraw/zinc/44/49/00/557444900.db2.gz ZLOQOHZEXCUAIW-SANMLTNESA-N 0 0 446.566 5.191 40 0 IKABRN Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 ZINC000223201984 557445412 /nfs/dbraw/zinc/44/54/12/557445412.db2.gz ISGUVCZMIXUIKJ-SANMLTNESA-N 0 0 446.566 5.046 40 0 IKABRN C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc2c(c1)CCC2 ZINC000223205863 557445992 /nfs/dbraw/zinc/44/59/92/557445992.db2.gz REXMLKQMXREYAI-HNNXBMFYSA-N 0 0 430.386 5.492 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C ZINC000223213042 557446748 /nfs/dbraw/zinc/44/67/48/557446748.db2.gz PZUHAVLGWARIFC-HSZRJFAPSA-N 0 0 438.612 5.021 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc(F)cc1 ZINC000223215090 557447014 /nfs/dbraw/zinc/44/70/14/557447014.db2.gz LOOIFGWQORLVSX-QFIPXVFZSA-N 0 0 444.616 5.089 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl ZINC000223217858 557447244 /nfs/dbraw/zinc/44/72/44/557447244.db2.gz OETZKSCNLVRKMJ-QFIPXVFZSA-N 0 0 429.004 5.303 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc21 ZINC000223220148 557447396 /nfs/dbraw/zinc/44/73/96/557447396.db2.gz FHDRKHVFDNGUSM-SANMLTNESA-N 0 0 444.619 5.803 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 ZINC000223220880 557447415 /nfs/dbraw/zinc/44/74/15/557447415.db2.gz PDEGRWKRBAQDSZ-HSZRJFAPSA-N 0 0 440.653 5.259 40 0 IKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccco2)C[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000014607118 557447586 /nfs/dbraw/zinc/44/75/86/557447586.db2.gz XYFHZSSJBJUESM-OAQYLSRUSA-N 0 0 443.503 5.591 40 0 IKABRN CCc1nn2c(c1-c1ccc(F)cc1)N=C(c1ccccc1OC)C[C@H]2c1ccccn1 ZINC000014607635 557447722 /nfs/dbraw/zinc/44/77/22/557447722.db2.gz DSYGJBJVOPFZOT-QHCPKHFHSA-N 0 0 426.495 5.769 40 0 IKABRN CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1OC)C[C@H]2c1cccnc1 ZINC000014607637 557447795 /nfs/dbraw/zinc/44/77/95/557447795.db2.gz UFJJIBRFJXKCKQ-DEOSSOPVSA-N 0 0 438.531 5.639 40 0 IKABRN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223224667 557448010 /nfs/dbraw/zinc/44/80/10/557448010.db2.gz MCUBGQYNUMSCLK-MRXNPFEDSA-N 0 0 431.407 5.572 40 0 IKABRN C[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223224805 557448066 /nfs/dbraw/zinc/44/80/66/557448066.db2.gz ASHXNSZMGWXFLS-MRXNPFEDSA-N 0 0 431.407 5.572 40 0 IKABRN C[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223224859 557448077 /nfs/dbraw/zinc/44/80/77/557448077.db2.gz ASHXNSZMGWXFLS-INIZCTEOSA-N 0 0 431.407 5.572 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C ZINC000223225733 557448175 /nfs/dbraw/zinc/44/81/75/557448175.db2.gz JUFIXIWIODKLCS-HSZRJFAPSA-N 0 0 440.653 5.259 40 0 IKABRN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2cccs2)cc1OC ZINC000014608038 557448205 /nfs/dbraw/zinc/44/82/05/557448205.db2.gz IJVFIZKKGRLDBZ-HSZRJFAPSA-N 0 0 433.533 5.044 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 ZINC000223225254 557448226 /nfs/dbraw/zinc/44/82/26/557448226.db2.gz DFJKFTRQRVNJMX-QFIPXVFZSA-N 0 0 426.626 5.118 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000223226685 557448460 /nfs/dbraw/zinc/44/84/60/557448460.db2.gz ROSKOAMCRQVFPC-QFIPXVFZSA-N 0 0 426.626 5.199 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000223227440 557448492 /nfs/dbraw/zinc/44/84/92/557448492.db2.gz PRWTVKMGJCVBER-LJQANCHMSA-N 0 0 447.044 5.297 40 0 IKABRN Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000014608366 557448532 /nfs/dbraw/zinc/44/85/32/557448532.db2.gz JBVPBDFXJLNMSY-SANMLTNESA-N 0 0 427.523 5.362 40 0 IKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1Br ZINC000014649320 557448947 /nfs/dbraw/zinc/44/89/47/557448947.db2.gz PBKHEWYRZUSMLR-UHFFFAOYSA-N 0 0 427.136 5.643 40 0 IKABRN C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C)c1ccccc1 ZINC000014666365 557448972 /nfs/dbraw/zinc/44/89/72/557448972.db2.gz MZYNWHHZAXWGMF-IBGZPJMESA-N 0 0 430.548 5.493 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223230644 557449014 /nfs/dbraw/zinc/44/90/14/557449014.db2.gz GDVLIDDLVQLSKJ-FQEVSTJZSA-N 0 0 443.031 5.730 40 0 IKABRN CC(C)(C)c1ccccc1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014666391 557449031 /nfs/dbraw/zinc/44/90/31/557449031.db2.gz ZHWMLXJDZJXTFE-UHFFFAOYSA-N 0 0 442.603 5.297 40 0 IKABRN C[C@@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3cccc(C(F)(F)F)c3)c3cccc1c32 ZINC000014671879 557449221 /nfs/dbraw/zinc/44/92/21/557449221.db2.gz KZMXARTWDDEFJL-MCMMXHMISA-N 0 0 446.494 5.271 40 0 IKABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc(Cl)c(F)c1 ZINC000014671896 557449302 /nfs/dbraw/zinc/44/93/02/557449302.db2.gz BUEYKRXMUSPBAM-QHCPKHFHSA-N 0 0 442.943 5.262 40 0 IKABRN C[C@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3cccc(C(F)(F)F)c3)c3cccc1c32 ZINC000014671880 557449316 /nfs/dbraw/zinc/44/93/16/557449316.db2.gz KZMXARTWDDEFJL-WHEQGISXSA-N 0 0 446.494 5.271 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)/C(=C/c3ccccc3Cl)c3ccccc3)s2)cc1 ZINC000223255328 557451298 /nfs/dbraw/zinc/45/12/98/557451298.db2.gz KMBUWLCZMUUZHS-HMMYKYKNSA-N 0 0 447.947 6.046 40 0 IKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223253812 557451361 /nfs/dbraw/zinc/45/13/61/557451361.db2.gz MIDGVGNXEAWZHG-HHHXNRCGSA-N 0 0 442.603 5.012 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc21 ZINC000223257645 557451777 /nfs/dbraw/zinc/45/17/77/557451777.db2.gz SYPPUEWMKMNXSM-DEOSSOPVSA-N 0 0 446.591 5.249 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223258725 557452037 /nfs/dbraw/zinc/45/20/37/557452037.db2.gz LEUZAGHZIDGWTL-QHCPKHFHSA-N 0 0 438.612 5.021 40 0 IKABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000223268638 557453725 /nfs/dbraw/zinc/45/37/25/557453725.db2.gz IQCOJJXBCXGUNY-GOSISDBHSA-N 0 0 448.588 5.204 40 0 IKABRN COc1ccc(/C=C(/C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c2ccccc2)cc1 ZINC000223270353 557454056 /nfs/dbraw/zinc/45/40/56/557454056.db2.gz AFSPKURCSCQCNA-XLKFHUSGSA-N 0 0 443.587 6.554 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C ZINC000223271386 557454060 /nfs/dbraw/zinc/45/40/60/557454060.db2.gz BROVKJSRGXGODX-HSZRJFAPSA-N 0 0 440.653 5.259 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C ZINC000223271329 557454083 /nfs/dbraw/zinc/45/40/83/557454083.db2.gz BROVKJSRGXGODX-QHCPKHFHSA-N 0 0 440.653 5.259 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223271070 557454139 /nfs/dbraw/zinc/45/41/39/557454139.db2.gz SHIBZCSQCJRHFS-NRFANRHFSA-N 0 0 447.044 5.463 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000223272379 557454297 /nfs/dbraw/zinc/45/42/97/557454297.db2.gz NSMWRNLWYYBUOX-JOCHJYFZSA-N 0 0 426.626 5.199 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)c1 ZINC000014831549 557454507 /nfs/dbraw/zinc/45/45/07/557454507.db2.gz QKRZMWUJGXDKJE-CQSZACIVSA-N 0 0 447.988 5.383 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)c1 ZINC000014831548 557454531 /nfs/dbraw/zinc/45/45/31/557454531.db2.gz QKRZMWUJGXDKJE-AWEZNQCLSA-N 0 0 447.988 5.383 40 0 IKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(I)cc2)cc1C(C)C ZINC000223274250 557454588 /nfs/dbraw/zinc/45/45/88/557454588.db2.gz FVKSOIDHIBHWSC-AWEZNQCLSA-N 0 0 437.321 5.223 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223280042 557455208 /nfs/dbraw/zinc/45/52/08/557455208.db2.gz RWMGQCFZEYHIPN-FQEVSTJZSA-N 0 0 434.555 5.245 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223282696 557455592 /nfs/dbraw/zinc/45/55/92/557455592.db2.gz QVYSFIRXRMLPGA-HNNXBMFYSA-N 0 0 439.358 5.009 40 0 IKABRN O=C(Nc1nnc(SCc2ccccc2)s1)/C(=C/c1ccccc1)c1ccccc1 ZINC000223294732 557456573 /nfs/dbraw/zinc/45/65/73/557456573.db2.gz YAHOZGRUVYVJHJ-LTGZKZEYSA-N 0 0 429.570 6.010 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000223301154 557456984 /nfs/dbraw/zinc/45/69/84/557456984.db2.gz FMCNSOCPHXUXCL-YIXXDRMTSA-N 0 0 442.603 5.092 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223306484 557457453 /nfs/dbraw/zinc/45/74/53/557457453.db2.gz LMDCEDPAFFKSHP-RUZDIDTESA-N 0 0 436.640 5.773 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223306420 557457490 /nfs/dbraw/zinc/45/74/90/557457490.db2.gz LMDCEDPAFFKSHP-VWLOTQADSA-N 0 0 436.640 5.773 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223311056 557457986 /nfs/dbraw/zinc/45/79/86/557457986.db2.gz VOVIEQDQGFKFQC-QHCPKHFHSA-N 0 0 440.653 5.259 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000223314113 557458216 /nfs/dbraw/zinc/45/82/16/557458216.db2.gz WLXHMTARLDNJQJ-KCWPFWIISA-N 0 0 442.603 5.092 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223313573 557458226 /nfs/dbraw/zinc/45/82/26/557458226.db2.gz YLIRTFBHQHRINZ-NRFANRHFSA-N 0 0 432.967 5.052 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000223316668 557458505 /nfs/dbraw/zinc/45/85/05/557458505.db2.gz LLOXZSYSTRCAAP-KCWPFWIISA-N 0 0 442.603 5.092 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223316560 557458540 /nfs/dbraw/zinc/45/85/40/557458540.db2.gz DZAWDFZBIKDZLR-SFHVURJKSA-N 0 0 449.422 5.486 40 0 IKABRN O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000223319723 557458795 /nfs/dbraw/zinc/45/87/95/557458795.db2.gz NROLEWQYJSTHOJ-UHFFFAOYSA-N 0 0 447.391 5.363 40 0 IKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1C(C)C ZINC000223323861 557459190 /nfs/dbraw/zinc/45/91/90/557459190.db2.gz SSKGGAWJSLUSNF-HNNXBMFYSA-N 0 0 440.403 5.070 40 0 IKABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1C(C)C ZINC000223323799 557459256 /nfs/dbraw/zinc/45/92/56/557459256.db2.gz SSKGGAWJSLUSNF-OAHLLOKOSA-N 0 0 440.403 5.070 40 0 IKABRN COc1cc(C)c([C@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1C(C)C ZINC000223327699 557459548 /nfs/dbraw/zinc/45/95/48/557459548.db2.gz HGMDFKJAIYDIMR-INIZCTEOSA-N 0 0 434.374 5.454 40 0 IKABRN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105377856 557459579 /nfs/dbraw/zinc/45/95/79/557459579.db2.gz BZNIIOGSANMIET-PLXLKAGYSA-N 0 0 442.728 7.238 40 0 IKABRN CC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000015186451 557459781 /nfs/dbraw/zinc/45/97/81/557459781.db2.gz CTCDWJSMUXNDJN-UHFFFAOYSA-N 0 0 442.446 5.039 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccco1 ZINC000223337420 557460167 /nfs/dbraw/zinc/46/01/67/557460167.db2.gz GDUUWVWIQRZHCY-YADHBBJMSA-N 0 0 434.952 5.291 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccco1 ZINC000223337238 557460225 /nfs/dbraw/zinc/46/02/25/557460225.db2.gz GDUUWVWIQRZHCY-FCHUYYIVSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCCC1 ZINC000223341805 557460386 /nfs/dbraw/zinc/46/03/86/557460386.db2.gz SWXLRPYWPRMTMO-DNQXCXABSA-N 0 0 434.609 5.771 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000223339143 557460390 /nfs/dbraw/zinc/46/03/90/557460390.db2.gz PCEBPWVHMFXGBZ-ULJHMMPZSA-N 0 0 430.504 5.319 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223343154 557460618 /nfs/dbraw/zinc/46/06/18/557460618.db2.gz JPYMMQHCZRLZKW-HXUWFJFHSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223343237 557460623 /nfs/dbraw/zinc/46/06/23/557460623.db2.gz FAUHMELQYKGMKN-QFIPXVFZSA-N 0 0 429.004 5.303 40 0 IKABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000223343317 557460635 /nfs/dbraw/zinc/46/06/35/557460635.db2.gz TUOKCEPUOWKAKQ-RUZDIDTESA-N 0 0 434.967 5.526 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCCC1 ZINC000223341974 557460656 /nfs/dbraw/zinc/46/06/56/557460656.db2.gz SWXLRPYWPRMTMO-ZEQRLZLVSA-N 0 0 434.609 5.771 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000223344745 557460823 /nfs/dbraw/zinc/46/08/23/557460823.db2.gz FHKBJLRPFCYOFQ-JOCHJYFZSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1 ZINC000223344590 557460891 /nfs/dbraw/zinc/46/08/91/557460891.db2.gz ZAONLCAOCBYFMI-JOCHJYFZSA-N 0 0 445.003 5.058 40 0 IKABRN C[C@@]12C(=O)N(CCC3=CCCCC3)C(=O)[C@@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000169683658 557461005 /nfs/dbraw/zinc/46/10/05/557461005.db2.gz IRKARXPTWCTTMK-JMDODURXSA-N 0 0 425.572 6.006 40 0 IKABRN COc1ccc(-c2csc(NC(=O)COc3ccc(C)c(C)c3)n2)cc1Br ZINC000015322896 557461061 /nfs/dbraw/zinc/46/10/61/557461061.db2.gz WNUPQUJDALVTSD-UHFFFAOYSA-N 0 0 447.354 5.216 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223352259 557461305 /nfs/dbraw/zinc/46/13/05/557461305.db2.gz MLJWDYNBYWZDFV-QHCPKHFHSA-N 0 0 443.031 5.557 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223353952 557461571 /nfs/dbraw/zinc/46/15/71/557461571.db2.gz HXPUQYRFFINVLW-NRFANRHFSA-N 0 0 449.422 5.648 40 0 IKABRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1C(C)C ZINC000223354447 557461592 /nfs/dbraw/zinc/46/15/92/557461592.db2.gz IFZJHJFCEFQJKA-HOTGVXAUSA-N 0 0 434.374 5.534 40 0 IKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1C(C)C ZINC000223354253 557461601 /nfs/dbraw/zinc/46/16/01/557461601.db2.gz IFZJHJFCEFQJKA-HZPDHXFCSA-N 0 0 434.374 5.534 40 0 IKABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223354433 557461665 /nfs/dbraw/zinc/46/16/65/557461665.db2.gz UNJOXYFFQBLGTI-HHHXNRCGSA-N 0 0 428.576 5.306 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1C ZINC000223359172 557462332 /nfs/dbraw/zinc/46/23/32/557462332.db2.gz DCZLFYHSODIXOI-RPWUZVMVSA-N 0 0 428.561 5.255 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1C ZINC000223359230 557462351 /nfs/dbraw/zinc/46/23/51/557462351.db2.gz DCZLFYHSODIXOI-BJKOFHAPSA-N 0 0 428.561 5.255 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000223359828 557462361 /nfs/dbraw/zinc/46/23/61/557462361.db2.gz LATQKDLOGYLVFM-SFHVURJKSA-N 0 0 449.422 5.568 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223358835 557462365 /nfs/dbraw/zinc/46/23/65/557462365.db2.gz JQNPGTLZLXOQKJ-FQEVSTJZSA-N 0 0 435.395 5.258 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccco1 ZINC000223360384 557462533 /nfs/dbraw/zinc/46/25/33/557462533.db2.gz YINKKZSBSNTKEK-FCHUYYIVSA-N 0 0 433.558 5.592 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccco1 ZINC000223361467 557462567 /nfs/dbraw/zinc/46/25/67/557462567.db2.gz GHCQNKGNBOXQNI-VXKWHMMOSA-N 0 0 435.936 5.761 40 0 IKABRN CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223360441 557462573 /nfs/dbraw/zinc/46/25/73/557462573.db2.gz HZDRTJPGBLUBCL-AREMUKBSSA-N 0 0 448.994 5.425 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](CC)C(=O)NC)cc1 ZINC000223364429 557462948 /nfs/dbraw/zinc/46/29/48/557462948.db2.gz XWGOTFQJMPTEKP-NRFANRHFSA-N 0 0 435.395 5.042 40 0 IKABRN Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1Cl ZINC000223365003 557463029 /nfs/dbraw/zinc/46/30/29/557463029.db2.gz MGRQTPPWZXTVQL-GOTSBHOMSA-N 0 0 449.963 6.069 40 0 IKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223365698 557463205 /nfs/dbraw/zinc/46/32/05/557463205.db2.gz RBZDAXCSBRUUJK-RUZDIDTESA-N 0 0 448.994 5.049 40 0 IKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 ZINC000223366882 557463243 /nfs/dbraw/zinc/46/32/43/557463243.db2.gz TYPPUHQARVTOSI-DQEYMECFSA-N 0 0 442.588 5.563 40 0 IKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 ZINC000223366834 557463279 /nfs/dbraw/zinc/46/32/79/557463279.db2.gz TYPPUHQARVTOSI-LOSJGSFVSA-N 0 0 442.588 5.563 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C ZINC000223367944 557463446 /nfs/dbraw/zinc/46/34/46/557463446.db2.gz SLRDRWUKAVKACI-GOSISDBHSA-N 0 0 449.422 5.486 40 0 IKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1C(C)C ZINC000223369786 557463459 /nfs/dbraw/zinc/46/34/59/557463459.db2.gz QMDATZIXYLLLEA-HNNXBMFYSA-N 0 0 440.436 6.544 40 0 IKABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000223368019 557463521 /nfs/dbraw/zinc/46/35/21/557463521.db2.gz GSXKEYICKXMFPL-MHZLTWQESA-N 0 0 444.575 5.142 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000223367859 557463594 /nfs/dbraw/zinc/46/35/94/557463594.db2.gz FKBCHIFKFGDEQE-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223372462 557463777 /nfs/dbraw/zinc/46/37/77/557463777.db2.gz LRQADXWTFLIYQY-NTKDMRAZSA-N 0 0 425.613 6.459 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1Cc1ccco1 ZINC000223375521 557464562 /nfs/dbraw/zinc/46/45/62/557464562.db2.gz OBZUCGNJTAIDBH-DQEYMECFSA-N 0 0 442.588 5.314 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1Cc1ccco1 ZINC000223375352 557464616 /nfs/dbraw/zinc/46/46/16/557464616.db2.gz OBZUCGNJTAIDBH-JWQCQUIFSA-N 0 0 442.588 5.314 40 0 IKABRN CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 ZINC000223377287 557464825 /nfs/dbraw/zinc/46/48/25/557464825.db2.gz VZBUMEZWZMTFCU-UHFFFAOYSA-N 0 0 448.588 5.341 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCCC1 ZINC000223380892 557465066 /nfs/dbraw/zinc/46/50/66/557465066.db2.gz VSAUTSCXVCHNCI-IZZNHLLZSA-N 0 0 444.648 6.178 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCCC1 ZINC000223380939 557465098 /nfs/dbraw/zinc/46/50/98/557465098.db2.gz VSAUTSCXVCHNCI-UIOOFZCWSA-N 0 0 444.648 6.178 40 0 IKABRN COc1ccc2cc(S(=O)(=O)N[C@H](C)c3cc(C(C)C)c(OC)cc3C)ccc2c1 ZINC000223383270 557465583 /nfs/dbraw/zinc/46/55/83/557465583.db2.gz QDRLUUCNZYYSMM-QGZVFWFLSA-N 0 0 427.566 5.328 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223389252 557465857 /nfs/dbraw/zinc/46/58/57/557465857.db2.gz YDZHGUPCQKDXSU-JOCHJYFZSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223390979 557466099 /nfs/dbraw/zinc/46/60/99/557466099.db2.gz TUFURPPUYJPGMS-JOCHJYFZSA-N 0 0 429.004 5.221 40 0 IKABRN Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223394950 557466260 /nfs/dbraw/zinc/46/62/60/557466260.db2.gz SGIJWFQLIICUMN-ZEQRLZLVSA-N 0 0 428.536 5.184 40 0 IKABRN Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223395158 557466264 /nfs/dbraw/zinc/46/62/64/557466264.db2.gz PLDRMFGGQIXAJB-ZEQRLZLVSA-N 0 0 428.536 5.184 40 0 IKABRN Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223394895 557466272 /nfs/dbraw/zinc/46/62/72/557466272.db2.gz SGIJWFQLIICUMN-BJKOFHAPSA-N 0 0 428.536 5.184 40 0 IKABRN Cc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000223395705 557466546 /nfs/dbraw/zinc/46/65/46/557466546.db2.gz IYCXQEMGQNHOQA-UHFFFAOYSA-N 0 0 425.981 6.058 40 0 IKABRN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223396034 557466555 /nfs/dbraw/zinc/46/65/55/557466555.db2.gz MNXBSWGFVWUJPH-JWQCQUIFSA-N 0 0 440.572 5.054 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1C ZINC000223397648 557466701 /nfs/dbraw/zinc/46/67/01/557466701.db2.gz GOWDMCOARVLXIA-UIOOFZCWSA-N 0 0 438.600 5.662 40 0 IKABRN Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 ZINC000223399138 557466809 /nfs/dbraw/zinc/46/68/09/557466809.db2.gz YOWBDRJPACNHGU-DNQXCXABSA-N 0 0 429.520 5.653 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccc1 ZINC000223398520 557466857 /nfs/dbraw/zinc/46/68/57/557466857.db2.gz QYEJZEZWQODPKL-BJKOFHAPSA-N 0 0 443.597 5.999 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccc1 ZINC000223398655 557466883 /nfs/dbraw/zinc/46/68/83/557466883.db2.gz QYEJZEZWQODPKL-RPWUZVMVSA-N 0 0 443.597 5.999 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C ZINC000223402486 557467056 /nfs/dbraw/zinc/46/70/56/557467056.db2.gz GXHTVFFDGYHFFI-NRFANRHFSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223406193 557467516 /nfs/dbraw/zinc/46/75/16/557467516.db2.gz KGDBYFCVFALHMS-QFIPXVFZSA-N 0 0 444.616 5.089 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C ZINC000223406076 557467519 /nfs/dbraw/zinc/46/75/19/557467519.db2.gz WWDXYCHQDYNAKC-QFIPXVFZSA-N 0 0 444.616 5.089 40 0 IKABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000026409580 557467569 /nfs/dbraw/zinc/46/75/69/557467569.db2.gz XCUDGSSQAOUVAV-NRFANRHFSA-N 0 0 446.572 5.140 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000223406322 557467935 /nfs/dbraw/zinc/46/79/35/557467935.db2.gz CEHZBUYCGSGJII-UHFFFAOYSA-N 0 0 440.565 5.004 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223409762 557468317 /nfs/dbraw/zinc/46/83/17/557468317.db2.gz MANWXNVZVKNTPK-VWLOTQADSA-N 0 0 434.967 5.179 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223414228 557468996 /nfs/dbraw/zinc/46/89/96/557468996.db2.gz YNTKHXUPFVRUMA-AREMUKBSSA-N 0 0 448.994 5.569 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223414858 557469249 /nfs/dbraw/zinc/46/92/49/557469249.db2.gz BMUZMQZVCGZEBQ-GOSISDBHSA-N 0 0 449.422 5.486 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000223416726 557469511 /nfs/dbraw/zinc/46/95/11/557469511.db2.gz RINRAOIEPJBLOR-DNQXCXABSA-N 0 0 432.593 5.180 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223421748 557470237 /nfs/dbraw/zinc/47/02/37/557470237.db2.gz QNOHJLYLBFXDSW-HNNXBMFYSA-N 0 0 439.358 5.009 40 0 IKABRN Cc1ccc(Nc2ccc(C(=O)OC(C)C)cc2S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000223422644 557470408 /nfs/dbraw/zinc/47/04/08/557470408.db2.gz WCUOQBNHVMOIGW-UHFFFAOYSA-N 0 0 438.549 5.413 40 0 IKABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223424466 557470744 /nfs/dbraw/zinc/47/07/44/557470744.db2.gz KRUQUIDTKMZQQJ-SANMLTNESA-N 0 0 448.994 5.569 40 0 IKABRN CC(C)(C)c1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000223424049 557470766 /nfs/dbraw/zinc/47/07/66/557470766.db2.gz OOFWYQADESAWNS-LYBHJNIJSA-N 0 0 433.979 6.373 40 0 IKABRN CC(C)OC(=O)c1ccc(NC2CCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223424698 557470783 /nfs/dbraw/zinc/47/07/83/557470783.db2.gz CCHNEBBPWSOGNT-UHFFFAOYSA-N 0 0 436.961 5.061 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000223429275 557471327 /nfs/dbraw/zinc/47/13/27/557471327.db2.gz KMFZVCMTABYWIA-WNCULLNHSA-N 0 0 442.603 5.092 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000016268976 557471447 /nfs/dbraw/zinc/47/14/47/557471447.db2.gz JLEKYQJJXLIBLH-UHFFFAOYSA-N 0 0 446.395 5.316 40 0 IKABRN Cc1cc(NC(=O)CSc2ccc(Cl)cc2)cc(-c2nc3ncccc3o2)c1O ZINC000016269592 557471460 /nfs/dbraw/zinc/47/14/60/557471460.db2.gz FANICKDWBQTEPL-UHFFFAOYSA-N 0 0 425.897 5.288 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223436445 557471772 /nfs/dbraw/zinc/47/17/72/557471772.db2.gz PHXDQGVTTVNPTN-JWQCQUIFSA-N 0 0 441.556 5.523 40 0 IKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C ZINC000223436927 557472096 /nfs/dbraw/zinc/47/20/96/557472096.db2.gz OCWHPGJHGAAGCS-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223438331 557472129 /nfs/dbraw/zinc/47/21/29/557472129.db2.gz GNBDADYLBSZROC-QHCPKHFHSA-N 0 0 442.575 5.050 40 0 IKABRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2c1 ZINC000016321437 557472313 /nfs/dbraw/zinc/47/23/13/557472313.db2.gz ZZMBHUNRHXBKDJ-UHFFFAOYSA-N 0 0 446.315 6.074 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4c(c3)oc3ccccc34)o2)cc1Cl ZINC000016346748 557472477 /nfs/dbraw/zinc/47/24/77/557472477.db2.gz NRDVXFIQMQKJIR-JLHYYAGUSA-N 0 0 427.887 7.460 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223442880 557472513 /nfs/dbraw/zinc/47/25/13/557472513.db2.gz VQPXOFVACLIUOO-DNQXCXABSA-N 0 0 432.593 5.180 40 0 IKABRN COc1c(Cl)cc(C(=O)NCc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1Cl ZINC000016348611 557472524 /nfs/dbraw/zinc/47/25/24/557472524.db2.gz JZKZOLSXXMQFAK-UHFFFAOYSA-N 0 0 441.314 6.049 40 0 IKABRN Nc1c(Br)cc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Br ZINC000016383258 557472542 /nfs/dbraw/zinc/47/25/42/557472542.db2.gz ZLYNSKNUVOPBQX-UHFFFAOYSA-N 0 0 436.918 5.909 40 0 IKABRN CC(C)(C)c1ccc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000223444047 557472715 /nfs/dbraw/zinc/47/27/15/557472715.db2.gz XPZLARSWZHDAFM-UHFFFAOYSA-N 0 0 426.409 5.719 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223445745 557472752 /nfs/dbraw/zinc/47/27/52/557472752.db2.gz NQGAMQWFZFEQMP-QFIPXVFZSA-N 0 0 444.616 5.089 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C ZINC000223446734 557472766 /nfs/dbraw/zinc/47/27/66/557472766.db2.gz LHMFTUPJJOMYQG-JOCHJYFZSA-N 0 0 442.575 5.050 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223445102 557472803 /nfs/dbraw/zinc/47/28/03/557472803.db2.gz ZTWIGAILAWIVJF-RUZDIDTESA-N 0 0 448.582 5.634 40 0 IKABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C ZINC000223450710 557473252 /nfs/dbraw/zinc/47/32/52/557473252.db2.gz LUUDKXZMQHBGBF-QGZVFWFLSA-N 0 0 432.402 5.928 40 0 IKABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1C ZINC000223450859 557473314 /nfs/dbraw/zinc/47/33/14/557473314.db2.gz MLEKXFMGWZOUJE-QGZVFWFLSA-N 0 0 426.354 5.784 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1cccnc1 ZINC000223453527 557473861 /nfs/dbraw/zinc/47/38/61/557473861.db2.gz UJMKCUDFOVPCMN-DHIUTWEWSA-N 0 0 445.979 5.093 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000016637125 557474925 /nfs/dbraw/zinc/47/49/25/557474925.db2.gz RJTNATXPZXIPHN-UHFFFAOYSA-N 0 0 444.771 5.512 40 0 IKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4OC)ccc3o2)cc1 ZINC000016692065 557475441 /nfs/dbraw/zinc/47/54/41/557475441.db2.gz NNSCLJXGGNQFEE-UHFFFAOYSA-N 0 0 447.516 5.029 40 0 IKABRN CCOc1c(Br)cc(Br)cc1CNCc1ccccc1Cl ZINC000016688082 557475444 /nfs/dbraw/zinc/47/54/44/557475444.db2.gz PEUVTYMYYOCIOM-UHFFFAOYSA-N 0 0 433.571 5.554 40 0 IKABRN Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1C ZINC000223470538 557475607 /nfs/dbraw/zinc/47/56/07/557475607.db2.gz NXQZFEKJOMZHPR-GOSISDBHSA-N 0 0 433.423 6.008 40 0 IKABRN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C ZINC000223470874 557475844 /nfs/dbraw/zinc/47/58/44/557475844.db2.gz KZZCTQOJQMHRCB-IBGZPJMESA-N 0 0 443.429 5.464 40 0 IKABRN Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 ZINC000223474581 557476290 /nfs/dbraw/zinc/47/62/90/557476290.db2.gz LXDUHYCTECJHLA-GOTSBHOMSA-N 0 0 430.508 5.048 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1cccnc1 ZINC000223474734 557476301 /nfs/dbraw/zinc/47/63/01/557476301.db2.gz PHHHJGHGBZTPMZ-GOTSBHOMSA-N 0 0 446.963 5.563 40 0 IKABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000223476632 557476503 /nfs/dbraw/zinc/47/65/03/557476503.db2.gz MRTYUPSHOBGDTI-DEOSSOPVSA-N 0 0 438.930 5.275 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3)nc2c1 ZINC000017096602 557476807 /nfs/dbraw/zinc/47/68/07/557476807.db2.gz PMCAWUBSOYJCSI-UHFFFAOYSA-N 0 0 429.545 5.801 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3)nc2c1 ZINC000017096589 557476857 /nfs/dbraw/zinc/47/68/57/557476857.db2.gz XUXQKFDVEMTRQT-MRXNPFEDSA-N 0 0 429.545 6.135 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)cc1 ZINC000017096594 557476903 /nfs/dbraw/zinc/47/69/03/557476903.db2.gz YDWMCEYPUAQZSW-UHFFFAOYSA-N 0 0 429.545 5.746 40 0 IKABRN CCN(CC)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000017096674 557477209 /nfs/dbraw/zinc/47/72/09/557477209.db2.gz DIFQEILUBJPUGK-UHFFFAOYSA-N 0 0 429.775 6.127 40 0 IKABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223481094 557477219 /nfs/dbraw/zinc/47/72/19/557477219.db2.gz PXQWZPAZJCSAER-SANMLTNESA-N 0 0 432.539 5.321 40 0 IKABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223481800 557477480 /nfs/dbraw/zinc/47/74/80/557477480.db2.gz SJKWFTWEMLQKNO-SANMLTNESA-N 0 0 432.539 5.055 40 0 IKABRN O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccs1 ZINC000017096728 557477485 /nfs/dbraw/zinc/47/74/85/557477485.db2.gz LIAVLZVZQVLICH-UHFFFAOYSA-N 0 0 429.979 5.805 40 0 IKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000017096769 557477680 /nfs/dbraw/zinc/47/76/80/557477680.db2.gz RPEJWJVMLBFMLK-UHFFFAOYSA-N 0 0 430.316 5.927 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(OC)cc4)cc3)nc2c1 ZINC000017096943 557477830 /nfs/dbraw/zinc/47/78/30/557477830.db2.gz FFDNLCVPDIKJOU-QGZVFWFLSA-N 0 0 430.504 6.034 40 0 IKABRN Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000017096833 557477838 /nfs/dbraw/zinc/47/78/38/557477838.db2.gz ZFDLXVAAZRGJOI-UHFFFAOYSA-N 0 0 430.462 5.200 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3)nc2c1 ZINC000017096953 557478148 /nfs/dbraw/zinc/47/81/48/557478148.db2.gz VUEBSZVNPOKABX-INIZCTEOSA-N 0 0 430.504 6.278 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 ZINC000017097150 557478301 /nfs/dbraw/zinc/47/83/01/557478301.db2.gz XOFXYFMTUPFWMK-KRWDZBQOSA-N 0 0 430.573 6.803 40 0 IKABRN O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1cccc2c(Cl)cccc12 ZINC000017097248 557478373 /nfs/dbraw/zinc/47/83/73/557478373.db2.gz KRDARANNOLTYSM-UHFFFAOYSA-N 0 0 430.916 6.519 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000017097344 557478541 /nfs/dbraw/zinc/47/85/41/557478541.db2.gz PDAYQMLOBRVRAX-UHFFFAOYSA-N 0 0 431.250 6.202 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccncc1 ZINC000223489347 557478633 /nfs/dbraw/zinc/47/86/33/557478633.db2.gz GCBXQDIDRJONSN-PKTZIBPZSA-N 0 0 445.979 5.093 40 0 IKABRN COc1cc2ccccc2cc1C(=O)Nc1cc(C)c(I)cc1C ZINC000017097349 557478746 /nfs/dbraw/zinc/47/87/46/557478746.db2.gz RVROOTRWMYBCOX-UHFFFAOYSA-N 0 0 431.273 5.322 40 0 IKABRN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017097380 557478781 /nfs/dbraw/zinc/47/87/81/557478781.db2.gz XMTQGWHAOJEHDR-UHFFFAOYSA-N 0 0 431.319 5.338 40 0 IKABRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000017097393 557478798 /nfs/dbraw/zinc/47/87/98/557478798.db2.gz NRYJYOROYQKGFV-VQHVLOKHSA-N 0 0 431.344 6.088 40 0 IKABRN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(OCc2ccccc2)cc1 ZINC000017097424 557478958 /nfs/dbraw/zinc/47/89/58/557478958.db2.gz JJLTUUBDFCXADF-UHFFFAOYSA-N 0 0 431.344 5.699 40 0 IKABRN CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223492858 557479050 /nfs/dbraw/zinc/47/90/50/557479050.db2.gz NXPVKUPXAWGGGW-MHZLTWQESA-N 0 0 446.566 5.301 40 0 IKABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223493442 557479053 /nfs/dbraw/zinc/47/90/53/557479053.db2.gz CCYCELRTEUWYFR-SANMLTNESA-N 0 0 432.539 5.055 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCC1 ZINC000223492925 557479070 /nfs/dbraw/zinc/47/90/70/557479070.db2.gz ICJJYYMFDYPCQE-BJKOFHAPSA-N 0 0 431.609 5.183 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCCC1 ZINC000223493099 557479104 /nfs/dbraw/zinc/47/91/04/557479104.db2.gz AUTLOKRCUNKUON-RPBOFIJWSA-N 0 0 445.636 5.573 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCC1 ZINC000223492838 557479115 /nfs/dbraw/zinc/47/91/15/557479115.db2.gz ICJJYYMFDYPCQE-DNQXCXABSA-N 0 0 431.609 5.183 40 0 IKABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3O)oc2c(C)c1 ZINC000017097553 557479201 /nfs/dbraw/zinc/47/92/01/557479201.db2.gz QYXLZMQJISUUDX-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000017097559 557479204 /nfs/dbraw/zinc/47/92/04/557479204.db2.gz CWCJHIXUKTZOTH-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3O)oc2c1 ZINC000017097561 557479209 /nfs/dbraw/zinc/47/92/09/557479209.db2.gz HTXIAWFJKGJFLY-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN COc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 ZINC000017097545 557479211 /nfs/dbraw/zinc/47/92/11/557479211.db2.gz YMGOMWHINUDXPD-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C ZINC000223495432 557479216 /nfs/dbraw/zinc/47/92/16/557479216.db2.gz PXJVQLNBCDYIQR-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 ZINC000017097547 557479224 /nfs/dbraw/zinc/47/92/24/557479224.db2.gz ASPPXCACDZJSII-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223493681 557479225 /nfs/dbraw/zinc/47/92/25/557479225.db2.gz SKGDXBFZTBNCOK-HHHXNRCGSA-N 0 0 446.566 5.301 40 0 IKABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223493539 557479302 /nfs/dbraw/zinc/47/93/02/557479302.db2.gz PRQYBCZPPGDWKO-HHHXNRCGSA-N 0 0 446.566 5.445 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000017097583 557479544 /nfs/dbraw/zinc/47/95/44/557479544.db2.gz DFAPCUGZHQMISD-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1C ZINC000017097577 557479561 /nfs/dbraw/zinc/47/95/61/557479561.db2.gz WRCWSJRXOZJLOG-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3O)oc2c1 ZINC000017097565 557479587 /nfs/dbraw/zinc/47/95/87/557479587.db2.gz DPBABWUCFYMJGG-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000017097720 557479667 /nfs/dbraw/zinc/47/96/67/557479667.db2.gz UUAGKTYEPLJQQD-UHFFFAOYSA-N 0 0 431.901 5.476 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000017097658 557479676 /nfs/dbraw/zinc/47/96/76/557479676.db2.gz LNMWDODXMGXLMD-UHFFFAOYSA-N 0 0 431.586 5.961 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 ZINC000017097657 557479711 /nfs/dbraw/zinc/47/97/11/557479711.db2.gz WSRDUXCRCBAEQW-UHFFFAOYSA-N 0 0 431.586 6.015 40 0 IKABRN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000017097756 557480013 /nfs/dbraw/zinc/48/00/13/557480013.db2.gz YMCVVFPKJBNBHK-XNTDXEJSSA-N 0 0 431.967 5.314 40 0 IKABRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(OC)cc1Cl ZINC000017097805 557480031 /nfs/dbraw/zinc/48/00/31/557480031.db2.gz JHPLQVVYOYHMFW-VQHVLOKHSA-N 0 0 432.303 6.231 40 0 IKABRN Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)c1 ZINC000017097849 557480156 /nfs/dbraw/zinc/48/01/56/557480156.db2.gz LRHMYFRHPGNFPA-UHFFFAOYSA-N 0 0 432.348 6.059 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c(F)c1F ZINC000017097865 557480182 /nfs/dbraw/zinc/48/01/82/557480182.db2.gz VVJMKMQCFLUEGO-UHFFFAOYSA-N 0 0 432.373 5.065 40 0 IKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000017097837 557480189 /nfs/dbraw/zinc/48/01/89/557480189.db2.gz MZWCJRZVLUPJST-UHFFFAOYSA-N 0 0 432.343 5.116 40 0 IKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000017097948 557480446 /nfs/dbraw/zinc/48/04/46/557480446.db2.gz RSMDSFCKOSUEHV-UHFFFAOYSA-N 0 0 432.499 5.183 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 ZINC000017097947 557480468 /nfs/dbraw/zinc/48/04/68/557480468.db2.gz CLOXLHLMCYRIHC-UHFFFAOYSA-N 0 0 432.499 5.317 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000017097949 557480475 /nfs/dbraw/zinc/48/04/75/557480475.db2.gz LPZNOGKGHHKNKW-MRXNPFEDSA-N 0 0 432.499 5.399 40 0 IKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000017097926 557480484 /nfs/dbraw/zinc/48/04/84/557480484.db2.gz AJVVGRBRXYLJHE-UHFFFAOYSA-N 0 0 432.479 5.258 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223507579 557480515 /nfs/dbraw/zinc/48/05/15/557480515.db2.gz SEVRKCYAORJNHG-OAQYLSRUSA-N 0 0 438.612 5.085 40 0 IKABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)cc1 ZINC000017098177 557480565 /nfs/dbraw/zinc/48/05/65/557480565.db2.gz UBVALMIBVWYAOL-NTEUORMPSA-N 0 0 432.593 5.267 40 0 IKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000017098197 557480586 /nfs/dbraw/zinc/48/05/86/557480586.db2.gz HUENHLPFVUVTMJ-UHFFFAOYSA-N 0 0 432.749 5.296 40 0 IKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000017098288 557480602 /nfs/dbraw/zinc/48/06/02/557480602.db2.gz QAHQPMZLXDCQLF-NTEUORMPSA-N 0 0 432.976 7.392 40 0 IKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 ZINC000017098271 557480608 /nfs/dbraw/zinc/48/06/08/557480608.db2.gz KUNYKCYXBBXYEL-UHFFFAOYSA-N 0 0 432.955 6.286 40 0 IKABRN Cc1cccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccc(Cl)cc2)Nc2ccccc2S3)c1 ZINC000017098244 557480640 /nfs/dbraw/zinc/48/06/40/557480640.db2.gz MQAXJEWOMVBLAE-OAQYLSRUSA-N 0 0 432.932 5.735 40 0 IKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 ZINC000017098160 557480644 /nfs/dbraw/zinc/48/06/44/557480644.db2.gz FUULXZYRNXNQIR-LJQANCHMSA-N 0 0 432.589 5.917 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccc1O ZINC000017098330 557480781 /nfs/dbraw/zinc/48/07/81/557480781.db2.gz GSXMIBPPBGKNTH-SOFGYWHQSA-N 0 0 433.316 5.485 40 0 IKABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000017098353 557481071 /nfs/dbraw/zinc/48/10/71/557481071.db2.gz HAAKBMXAVCRGOA-UHFFFAOYSA-N 0 0 433.364 5.051 40 0 IKABRN Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 ZINC000223511796 557481091 /nfs/dbraw/zinc/48/10/91/557481091.db2.gz KZLYTWXYCMNPIG-XZOQPEGZSA-N 0 0 430.508 5.048 40 0 IKABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(Br)cc1Cl ZINC000017098467 557481170 /nfs/dbraw/zinc/48/11/70/557481170.db2.gz SNKOWIJWJXWJGD-UHFFFAOYSA-N 0 0 433.527 5.434 40 0 IKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000017098583 557481426 /nfs/dbraw/zinc/48/14/26/557481426.db2.gz KVRWZNCEQAZUHO-KRWDZBQOSA-N 0 0 433.577 5.354 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000017098676 557481640 /nfs/dbraw/zinc/48/16/40/557481640.db2.gz CGWBZOHQQIJWCO-INIZCTEOSA-N 0 0 433.939 6.414 40 0 IKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc(Cl)c1Cl ZINC000017098642 557481664 /nfs/dbraw/zinc/48/16/64/557481664.db2.gz SKFZGOCLKNDCTD-UHFFFAOYSA-N 0 0 433.747 7.176 40 0 IKABRN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cccc2c(Cl)cccc12 ZINC000017098733 557481840 /nfs/dbraw/zinc/48/18/40/557481840.db2.gz UZBFQEBCZUIRBU-UHFFFAOYSA-N 0 0 434.282 6.602 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000017099201 557482170 /nfs/dbraw/zinc/48/21/70/557482170.db2.gz CUMDTHFSOQHSPM-UHFFFAOYSA-N 0 0 434.706 6.139 40 0 IKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000017099196 557482186 /nfs/dbraw/zinc/48/21/86/557482186.db2.gz QMFZCSGBZYZOSN-FARCUNLSSA-N 0 0 434.639 5.782 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)nc2c1 ZINC000017099267 557482333 /nfs/dbraw/zinc/48/23/33/557482333.db2.gz KQPDPYPVELJHAZ-HNNXBMFYSA-N 0 0 434.923 6.923 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 ZINC000017099279 557482342 /nfs/dbraw/zinc/48/23/42/557482342.db2.gz RTXBBGIMLATZCO-INIZCTEOSA-N 0 0 434.923 6.679 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccn1 ZINC000223528080 557482415 /nfs/dbraw/zinc/48/24/15/557482415.db2.gz OTZURBRWYFQZSN-XZOQPEGZSA-N 0 0 445.979 5.093 40 0 IKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccccc1Cl ZINC000017099288 557482572 /nfs/dbraw/zinc/48/25/72/557482572.db2.gz NXSDBPFNBDAIBF-UHFFFAOYSA-N 0 0 434.927 5.523 40 0 IKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccc(Cl)cc1 ZINC000017099299 557482588 /nfs/dbraw/zinc/48/25/88/557482588.db2.gz CUEKPEOIGGPRJW-UHFFFAOYSA-N 0 0 434.927 5.523 40 0 IKABRN CCCCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1 ZINC000017099301 557482602 /nfs/dbraw/zinc/48/26/02/557482602.db2.gz PEKGAOLPGYFZML-UHFFFAOYSA-N 0 0 434.927 5.434 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)cc1 ZINC000017099291 557482623 /nfs/dbraw/zinc/48/26/23/557482623.db2.gz CSFZCLNYIRLAKY-UHFFFAOYSA-N 0 0 434.927 5.271 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000017099293 557482654 /nfs/dbraw/zinc/48/26/54/557482654.db2.gz GXSNIRGXMCENLA-INIZCTEOSA-N 0 0 434.927 5.605 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cccc(F)c1 ZINC000017099400 557482789 /nfs/dbraw/zinc/48/27/89/557482789.db2.gz UGJZYCPODOVYCL-RMKNXTFCSA-N 0 0 435.307 5.919 40 0 IKABRN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1Cl ZINC000017099360 557482833 /nfs/dbraw/zinc/48/28/33/557482833.db2.gz UEYNADNNKDTLFP-CYBMUJFWSA-N 0 0 434.989 5.302 40 0 IKABRN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000017099359 557482874 /nfs/dbraw/zinc/48/28/74/557482874.db2.gz UEYNADNNKDTLFP-ZDUSSCGKSA-N 0 0 434.989 5.302 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cccc(F)c1 ZINC000017099397 557482878 /nfs/dbraw/zinc/48/28/78/557482878.db2.gz MKCZRVDIVKZXPY-FNORWQNLSA-N 0 0 435.307 5.919 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc(Br)c1 ZINC000017099363 557482899 /nfs/dbraw/zinc/48/28/99/557482899.db2.gz DBDYTAYYVYOCLE-UHFFFAOYSA-N 0 0 435.115 5.626 40 0 IKABRN CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000017099433 557483047 /nfs/dbraw/zinc/48/30/47/557483047.db2.gz YDEAPSVKBFXJAB-UHFFFAOYSA-N 0 0 435.332 5.648 40 0 IKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3O)oc2c(C)c1 ZINC000017099506 557483343 /nfs/dbraw/zinc/48/33/43/557483343.db2.gz WAXHORSXCKHGMF-UHFFFAOYSA-N 0 0 435.480 5.083 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3)nc2c1 ZINC000017099672 557483509 /nfs/dbraw/zinc/48/35/09/557483509.db2.gz YGCYUXXMXQOEDZ-CQSZACIVSA-N 0 0 435.574 6.197 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3)nc2c1 ZINC000017099673 557483515 /nfs/dbraw/zinc/48/35/15/557483515.db2.gz YGCYUXXMXQOEDZ-AWEZNQCLSA-N 0 0 435.574 6.197 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3o2)c1 ZINC000017099831 557483632 /nfs/dbraw/zinc/48/36/32/557483632.db2.gz JBHXTGQWNRMOHR-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000017099825 557483694 /nfs/dbraw/zinc/48/36/94/557483694.db2.gz PWXDSALTDRKMNW-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(I)cc1C ZINC000017099913 557483719 /nfs/dbraw/zinc/48/37/19/557483719.db2.gz BXTRDFBFRHEBKE-UHFFFAOYSA-N 0 0 436.076 5.167 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c(Cl)c1 ZINC000017100035 557483916 /nfs/dbraw/zinc/48/39/16/557483916.db2.gz QYIAKWJWZKKKTK-UHFFFAOYSA-N 0 0 436.408 5.665 40 0 IKABRN Cc1c(NC(=S)NC(=O)C(C)(C)C)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 ZINC000017100022 557483980 /nfs/dbraw/zinc/48/39/80/557483980.db2.gz ZWZNKYJDOJLACC-UHFFFAOYSA-N 0 0 436.364 5.969 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)c(F)c1F ZINC000017094263 557484151 /nfs/dbraw/zinc/48/41/51/557484151.db2.gz PFYYAQQUBLAGFQ-UHFFFAOYSA-N 0 0 425.190 5.420 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000017094253 557484196 /nfs/dbraw/zinc/48/41/96/557484196.db2.gz JYPDYUVPCXYOSQ-UHFFFAOYSA-N 0 0 425.109 6.170 40 0 IKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C1 ZINC000017094333 557484412 /nfs/dbraw/zinc/48/44/12/557484412.db2.gz MACKPRPEZVGVIQ-JTQLQIEISA-N 0 0 425.381 5.557 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000017094321 557484444 /nfs/dbraw/zinc/48/44/44/557484444.db2.gz GRZFXFOJOXPHMW-CSKARUKUSA-N 0 0 425.340 6.922 40 0 IKABRN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc([C@H](C)CC)cc3)cc2s1 ZINC000017094537 557484458 /nfs/dbraw/zinc/48/44/58/557484458.db2.gz CTJDBIMBQDRPQD-OAHLLOKOSA-N 0 0 425.554 5.566 40 0 IKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 ZINC000017094574 557484613 /nfs/dbraw/zinc/48/46/13/557484613.db2.gz SMHWMCMHXXAGKX-GOSISDBHSA-N 0 0 425.598 5.227 40 0 IKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCC(C)CC2)c1 ZINC000017094565 557484674 /nfs/dbraw/zinc/48/46/74/557484674.db2.gz DKLDABBNZMLTDK-UHFFFAOYSA-N 0 0 425.598 5.085 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1C ZINC000223549865 557484731 /nfs/dbraw/zinc/48/47/31/557484731.db2.gz ARHYMFFZYJUQBK-LOSJGSFVSA-N 0 0 439.588 5.057 40 0 IKABRN O=Cc1cn(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccc(Br)cc12 ZINC000017094701 557484782 /nfs/dbraw/zinc/48/47/82/557484782.db2.gz ZUGYWNXSSZGQFM-UHFFFAOYSA-N 0 0 426.097 5.162 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1C(F)(F)F ZINC000017094709 557484812 /nfs/dbraw/zinc/48/48/12/557484812.db2.gz LBSROWIHGKRAET-JXMROGBWSA-N 0 0 426.221 6.924 40 0 IKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Br)cc1 ZINC000017094693 557484822 /nfs/dbraw/zinc/48/48/22/557484822.db2.gz VHNNPSUBQZXYOG-UHFFFAOYSA-N 0 0 426.093 6.373 40 0 IKABRN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000017094679 557484831 /nfs/dbraw/zinc/48/48/31/557484831.db2.gz ZXAGHQBQDBZJBM-UHFFFAOYSA-N 0 0 425.941 5.359 40 0 IKABRN O=Cc1cn(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccc(Br)cc12 ZINC000017094700 557484840 /nfs/dbraw/zinc/48/48/40/557484840.db2.gz XBWKXYRYBGEYQE-UHFFFAOYSA-N 0 0 426.097 5.162 40 0 IKABRN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000017094663 557484845 /nfs/dbraw/zinc/48/48/45/557484845.db2.gz BRNGAGVMVSLKTF-UHFFFAOYSA-N 0 0 425.941 5.215 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1C(F)(F)F ZINC000017094708 557484855 /nfs/dbraw/zinc/48/48/55/557484855.db2.gz QRTMKLMLKHGGDP-SOFGYWHQSA-N 0 0 426.221 6.924 40 0 IKABRN Cc1nc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)ccc1Br ZINC000017094696 557484868 /nfs/dbraw/zinc/48/48/68/557484868.db2.gz VVUITWVCKRIKIO-UHFFFAOYSA-N 0 0 426.097 5.972 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccn1 ZINC000223551200 557484935 /nfs/dbraw/zinc/48/49/35/557484935.db2.gz OLKPFSAZFWIUEG-PKTZIBPZSA-N 0 0 444.585 5.394 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccn1 ZINC000223552075 557484982 /nfs/dbraw/zinc/48/49/82/557484982.db2.gz GWNJLCIYBCKSNJ-DHIUTWEWSA-N 0 0 446.963 5.563 40 0 IKABRN CCCC[C@H](CC)CNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223552939 557485195 /nfs/dbraw/zinc/48/51/95/557485195.db2.gz ZVCLYWNFRQJDKQ-QFIPXVFZSA-N 0 0 444.641 5.140 40 0 IKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000017095168 557485466 /nfs/dbraw/zinc/48/54/66/557485466.db2.gz MIKBOCAZBRUJKI-BJMVGYQFSA-N 0 0 426.891 6.009 40 0 IKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc2c(Cl)cccc12 ZINC000017095155 557485516 /nfs/dbraw/zinc/48/55/16/557485516.db2.gz OZYISTAORXTFDQ-UHFFFAOYSA-N 0 0 426.859 5.546 40 0 IKABRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000017095188 557485695 /nfs/dbraw/zinc/48/56/95/557485695.db2.gz OTDOQOZEBSSIMD-ZRDIBKRKSA-N 0 0 426.925 5.443 40 0 IKABRN COc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000017095195 557485718 /nfs/dbraw/zinc/48/57/18/557485718.db2.gz SSPYUCFHPYDQOX-UHFFFAOYSA-N 0 0 426.925 5.054 40 0 IKABRN CCCC[C@H](CC)CNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 ZINC000223557689 557485771 /nfs/dbraw/zinc/48/57/71/557485771.db2.gz PIXQDYMWDKQPJX-NRFANRHFSA-N 0 0 444.641 5.085 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000017095274 557485859 /nfs/dbraw/zinc/48/58/59/557485859.db2.gz XHULMKGQXOZTHY-UHFFFAOYSA-N 0 0 427.287 5.740 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000017095276 557485884 /nfs/dbraw/zinc/48/58/84/557485884.db2.gz NICQOICSACDNAH-UHFFFAOYSA-N 0 0 427.287 6.371 40 0 IKABRN O=C(COc1ccc2ccccc2c1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017095261 557485894 /nfs/dbraw/zinc/48/58/94/557485894.db2.gz LRDLCXHZBGYYJT-UHFFFAOYSA-N 0 0 427.283 6.529 40 0 IKABRN O=C(NC(=S)Nc1ccc(F)cc1F)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017095255 557485900 /nfs/dbraw/zinc/48/59/00/557485900.db2.gz TZTCEALVEIDCRC-UHFFFAOYSA-N 0 0 427.259 5.658 40 0 IKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000017095267 557485920 /nfs/dbraw/zinc/48/59/20/557485920.db2.gz GBHBISOYHKXQGG-UHFFFAOYSA-N 0 0 427.287 6.371 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)c(Cl)c1 ZINC000017095272 557485950 /nfs/dbraw/zinc/48/59/50/557485950.db2.gz NWVCCHSTTFVPMQ-UHFFFAOYSA-N 0 0 427.287 6.128 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000017095240 557485982 /nfs/dbraw/zinc/48/59/82/557485982.db2.gz RNLSYLFCSHRJGF-ZZXKWVIFSA-N 0 0 427.114 7.212 40 0 IKABRN CC(C)c1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000017095332 557486141 /nfs/dbraw/zinc/48/61/41/557486141.db2.gz MHCBTAUCQUXVPY-UHFFFAOYSA-N 0 0 427.367 5.853 40 0 IKABRN Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)nc21 ZINC000017095306 557486196 /nfs/dbraw/zinc/48/61/96/557486196.db2.gz QNLMVHDALRIEAC-UHFFFAOYSA-N 0 0 427.323 6.188 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000017095315 557486202 /nfs/dbraw/zinc/48/62/02/557486202.db2.gz AALKQBSNCYCDIP-FMIVXFBMSA-N 0 0 427.331 6.506 40 0 IKABRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000017095606 557486340 /nfs/dbraw/zinc/48/63/40/557486340.db2.gz VYLZOALGQZUHFL-UHFFFAOYSA-N 0 0 427.662 5.792 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccccc4)ccc3o2)c1 ZINC000017095479 557486343 /nfs/dbraw/zinc/48/63/43/557486343.db2.gz UYMFXYAOZZXMMP-DHZHZOJOSA-N 0 0 427.529 5.638 40 0 IKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(Cl)(Cl)Cl ZINC000017095609 557486345 /nfs/dbraw/zinc/48/63/45/557486345.db2.gz PHOQZPWTYPGIHF-UHFFFAOYSA-N 0 0 427.715 5.936 40 0 IKABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c1 ZINC000017095612 557486348 /nfs/dbraw/zinc/48/63/48/557486348.db2.gz QAOCWBCSIWKBHP-UHFFFAOYSA-N 0 0 427.751 5.018 40 0 IKABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c1 ZINC000017095613 557486480 /nfs/dbraw/zinc/48/64/80/557486480.db2.gz DAYGQHYYMLETGK-UHFFFAOYSA-N 0 0 427.751 5.017 40 0 IKABRN COc1ccc2nc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)sc2c1 ZINC000017095658 557486580 /nfs/dbraw/zinc/48/65/80/557486580.db2.gz GJWDZBJTPOAEIN-UHFFFAOYSA-N 0 0 427.938 5.238 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000017095819 557486785 /nfs/dbraw/zinc/48/67/85/557486785.db2.gz UXJNSBKCBCRMTL-UHFFFAOYSA-N 0 0 428.488 6.116 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223563943 557486796 /nfs/dbraw/zinc/48/67/96/557486796.db2.gz CHGQRJUMJSXYJH-JOCHJYFZSA-N 0 0 447.044 5.546 40 0 IKABRN COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N1C(=O)c2ccccc2C1=O ZINC000017095833 557486966 /nfs/dbraw/zinc/48/69/66/557486966.db2.gz VXNANJBTKNIURN-UHFFFAOYSA-N 0 0 428.488 5.046 40 0 IKABRN CC(C)COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000017095836 557486983 /nfs/dbraw/zinc/48/69/83/557486983.db2.gz RDSYMZAEDRFHIP-UHFFFAOYSA-N 0 0 428.488 5.972 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000017095923 557487003 /nfs/dbraw/zinc/48/70/03/557487003.db2.gz LDSFVSLTCNWWMZ-GOSISDBHSA-N 0 0 428.532 6.643 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000017095922 557487022 /nfs/dbraw/zinc/48/70/22/557487022.db2.gz HICBAGTYZKRENL-UHFFFAOYSA-N 0 0 428.532 6.004 40 0 IKABRN CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc([C@H](C)CC)cc4)c3)nc2c1 ZINC000017095929 557487045 /nfs/dbraw/zinc/48/70/45/557487045.db2.gz ADSDQDZBCSXQDR-GOSISDBHSA-N 0 0 428.532 6.588 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 ZINC000017095875 557487077 /nfs/dbraw/zinc/48/70/77/557487077.db2.gz IFSAKYPAUVAYGI-UHFFFAOYSA-N 0 0 428.513 5.149 40 0 IKABRN CCc1ccc(-c2nc3cc(NC(=O)COc4ccc([C@@H](C)CC)cc4)ccc3o2)cc1 ZINC000017095963 557487332 /nfs/dbraw/zinc/48/73/32/557487332.db2.gz XWUWQLRTLNUDNP-SFHVURJKSA-N 0 0 428.532 6.588 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 ZINC000017095967 557487341 /nfs/dbraw/zinc/48/73/41/557487341.db2.gz MCTVGIGNSNCFLI-SFHVURJKSA-N 0 0 428.532 6.643 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000017095985 557487715 /nfs/dbraw/zinc/48/77/15/557487715.db2.gz UICPRKYWTORYDC-UHFFFAOYSA-N 0 0 428.536 5.432 40 0 IKABRN O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000017096185 557487967 /nfs/dbraw/zinc/48/79/67/557487967.db2.gz FCKRMNWBDGRWEA-UHFFFAOYSA-N 0 0 428.875 6.319 40 0 IKABRN O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000017096338 557488295 /nfs/dbraw/zinc/48/82/95/557488295.db2.gz UIGNOOMMGOOLJS-UHFFFAOYSA-N 0 0 429.328 6.288 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(C)cc1 ZINC000017096354 557488305 /nfs/dbraw/zinc/48/83/05/557488305.db2.gz VDYLFBCUMLVCEV-UHFFFAOYSA-N 0 0 429.339 5.046 40 0 IKABRN O=C(COc1ccccc1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000017096340 557488317 /nfs/dbraw/zinc/48/83/17/557488317.db2.gz SSBVSIJQTDEURK-UHFFFAOYSA-N 0 0 429.328 6.288 40 0 IKABRN O=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000017096349 557488353 /nfs/dbraw/zinc/48/83/53/557488353.db2.gz INPWVVUDUJHQMR-UHFFFAOYSA-N 0 0 429.328 6.288 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4ccc(Cl)cc4s3)o2)cc1Cl ZINC000017096351 557488370 /nfs/dbraw/zinc/48/83/70/557488370.db2.gz NRNFXRVLJFFMHZ-RMKNXTFCSA-N 0 0 429.328 6.823 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000017096370 557488551 /nfs/dbraw/zinc/48/85/51/557488551.db2.gz KAGBLOQYRKWJGZ-OAHLLOKOSA-N 0 0 429.347 6.885 40 0 IKABRN CC1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000017096364 557488560 /nfs/dbraw/zinc/48/85/60/557488560.db2.gz IRVNBMVAOPJZLJ-UHFFFAOYSA-N 0 0 429.347 6.742 40 0 IKABRN O=C(NCCOc1ccc2ccccc2c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223582461 557488689 /nfs/dbraw/zinc/48/86/89/557488689.db2.gz GPUIRIXAPCRXLQ-NCELDCMTSA-N 0 0 427.931 6.229 40 0 IKABRN O=C1C[C@@H](c2ccccc2)Cc2c1c(Nc1ccccc1)nn2-c1nc2ccccc2s1 ZINC000017100486 557489163 /nfs/dbraw/zinc/48/91/63/557489163.db2.gz GPZOKMIUBNTXJU-SFHVURJKSA-N 0 0 436.540 6.138 40 0 IKABRN COc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000017100900 557489591 /nfs/dbraw/zinc/48/95/91/557489591.db2.gz UNHZZULCFBTVQV-UHFFFAOYSA-N 0 0 436.924 5.019 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223591374 557489695 /nfs/dbraw/zinc/48/96/95/557489695.db2.gz GWUJSCPFJXLEAV-RUZDIDTESA-N 0 0 436.640 5.640 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Br)cc1 ZINC000017101038 557489826 /nfs/dbraw/zinc/48/98/26/557489826.db2.gz JOMTYDYNPJMKEG-SOFGYWHQSA-N 0 0 437.120 6.668 40 0 IKABRN COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000017101115 557489832 /nfs/dbraw/zinc/48/98/32/557489832.db2.gz AWTLAQFYDJAHIS-UHFFFAOYSA-N 0 0 437.304 5.094 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1Cl ZINC000017101036 557489838 /nfs/dbraw/zinc/48/98/38/557489838.db2.gz WNLZGPIDPVOKFT-JXMROGBWSA-N 0 0 437.120 6.668 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000017101081 557489851 /nfs/dbraw/zinc/48/98/51/557489851.db2.gz DFLVTRIDKPHQAZ-WUXMJOGZSA-N 0 0 437.282 5.446 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C)c(I)cc2C)cc1 ZINC000017101149 557490145 /nfs/dbraw/zinc/49/01/45/557490145.db2.gz CTNFABGXTNTZMT-CYBMUJFWSA-N 0 0 437.321 5.439 40 0 IKABRN COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000017101123 557490150 /nfs/dbraw/zinc/49/01/50/557490150.db2.gz AYNUQGNOSYOEAO-UHFFFAOYSA-N 0 0 437.304 5.094 40 0 IKABRN CCCCN1CN(c2nc3ccc(C)cc3s2)CN(c2nc3ccc(C)cc3s2)C1 ZINC000017101661 557490317 /nfs/dbraw/zinc/49/03/17/557490317.db2.gz ANRDJQLGVPTUSZ-UHFFFAOYSA-N 0 0 437.638 5.824 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000223596814 557490355 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CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2Cl)CC1 ZINC000017101850 557490796 /nfs/dbraw/zinc/49/07/96/557490796.db2.gz DLGADGFYEYNIFU-UHFFFAOYSA-N 0 0 437.996 5.856 40 0 IKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 ZINC000017101844 557490802 /nfs/dbraw/zinc/49/08/02/557490802.db2.gz RINHKASSTJALAM-UHFFFAOYSA-N 0 0 437.996 5.856 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223606494 557490971 /nfs/dbraw/zinc/49/09/71/557490971.db2.gz GXMRLWYISKGFOA-OAQYLSRUSA-N 0 0 435.395 5.260 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223606639 557490987 /nfs/dbraw/zinc/49/09/87/557490987.db2.gz IMOOJEZLGXKNMO-OAQYLSRUSA-N 0 0 435.395 5.260 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 ZINC000223609675 557491274 /nfs/dbraw/zinc/49/12/74/557491274.db2.gz OXMZESVLHPAVRH-QFIPXVFZSA-N 0 0 447.044 5.464 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 ZINC000223609544 557491335 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426.626 5.201 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223704970 557504495 /nfs/dbraw/zinc/50/44/95/557504495.db2.gz ODGICDSXVVUDIH-DEOSSOPVSA-N 0 0 440.653 5.509 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)nc2c1 ZINC000019644886 557504601 /nfs/dbraw/zinc/50/46/01/557504601.db2.gz NNGNBDGRIKYLEO-FQEVSTJZSA-N 0 0 446.550 7.928 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 ZINC000019644997 557504661 /nfs/dbraw/zinc/50/46/61/557504661.db2.gz QVNDBWSOGXTJPU-QGZVFWFLSA-N 0 0 446.572 6.503 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc4ccccc43)o2)cc1Cl ZINC000019645473 557504821 /nfs/dbraw/zinc/50/48/21/557504821.db2.gz LKBGXVMOCFNDMT-WYMLVPIESA-N 0 0 446.959 6.588 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223710815 557504856 /nfs/dbraw/zinc/50/48/56/557504856.db2.gz GPFZEMIBVYHTNX-SFHVURJKSA-N 0 0 429.004 5.124 40 0 IKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000019645748 557504917 /nfs/dbraw/zinc/50/49/17/557504917.db2.gz OJXUZPIEZICTMT-UHFFFAOYSA-N 0 0 447.391 5.061 40 0 IKABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000223711312 557504941 /nfs/dbraw/zinc/50/49/41/557504941.db2.gz WIFCIMVMUMJLLI-UHFFFAOYSA-N 0 0 449.616 5.964 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000223713136 557505108 /nfs/dbraw/zinc/50/51/08/557505108.db2.gz IEEOLLOGDJPFEC-QFIPXVFZSA-N 0 0 429.004 5.037 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3)nc2c1 ZINC000019646196 557505173 /nfs/dbraw/zinc/50/51/73/557505173.db2.gz FRKSTTGLLCPFJT-OAHLLOKOSA-N 0 0 447.535 6.274 40 0 IKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc(OCc2ccccc2)c1 ZINC000019647133 557505426 /nfs/dbraw/zinc/50/54/26/557505426.db2.gz RXUWMEFMNARSOQ-UHFFFAOYSA-N 0 0 448.478 5.319 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223716452 557505497 /nfs/dbraw/zinc/50/54/97/557505497.db2.gz 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IKABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223718489 557505799 /nfs/dbraw/zinc/50/57/99/557505799.db2.gz BURTYHLMDMHQNK-OAQYLSRUSA-N 0 0 449.422 5.301 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2c1 ZINC000019648618 557505800 /nfs/dbraw/zinc/50/58/00/557505800.db2.gz XJPROJGMRFQTKB-OAHLLOKOSA-N 0 0 449.348 7.023 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2c1 ZINC000019648613 557505807 /nfs/dbraw/zinc/50/58/07/557505807.db2.gz CWHLKNZZEZCMJW-OAHLLOKOSA-N 0 0 449.348 7.023 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1 ZINC000019648293 557505829 /nfs/dbraw/zinc/50/58/29/557505829.db2.gz MXHYVBREULLAJT-INIZCTEOSA-N 0 0 448.950 6.988 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 ZINC000019648266 557505832 /nfs/dbraw/zinc/50/58/32/557505832.db2.gz GGZASTUHOGTQNW-QGZVFWFLSA-N 0 0 448.950 6.988 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)nc2c1 ZINC000019648278 557505855 /nfs/dbraw/zinc/50/58/55/557505855.db2.gz FWWMPPFKHBACRS-MRXNPFEDSA-N 0 0 448.950 6.988 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1Cl ZINC000019648307 557505858 /nfs/dbraw/zinc/50/58/58/557505858.db2.gz GPMVIZLHXUEYAA-MRXNPFEDSA-N 0 0 448.950 7.313 40 0 IKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccc(OC)cc1 ZINC000223719222 557506009 /nfs/dbraw/zinc/50/60/09/557506009.db2.gz BBLVVUFYZDNFSH-NRPPHEFGSA-N 0 0 434.561 5.104 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223721616 557506234 /nfs/dbraw/zinc/50/62/34/557506234.db2.gz SGCIWRPVKMUTPT-SFHVURJKSA-N 0 0 445.028 5.298 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1Cl ZINC000019630709 557506592 /nfs/dbraw/zinc/50/65/92/557506592.db2.gz XJPBELJHYSNQDV-UHFFFAOYSA-N 0 0 439.899 5.723 40 0 IKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccccc4)cc3n2)c(C)c1 ZINC000019630251 557506594 /nfs/dbraw/zinc/50/65/94/557506594.db2.gz CGPIIQKUKHYWLU-NTCAYCPXSA-N 0 0 439.563 5.535 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223728885 557506766 /nfs/dbraw/zinc/50/67/66/557506766.db2.gz NKFBHSMVJKRYHT-OAHLLOKOSA-N 0 0 439.408 5.029 40 0 IKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)c(C)c1 ZINC000019631413 557507008 /nfs/dbraw/zinc/50/70/08/557507008.db2.gz MSSRIXVJRNUJBU-UHFFFAOYSA-N 0 0 440.396 5.283 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccc3ccccc3c2)cc1 ZINC000019631717 557507063 /nfs/dbraw/zinc/50/70/63/557507063.db2.gz TYRZXXPFILUOMV-UHFFFAOYSA-N 0 0 440.499 5.024 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223735566 557507460 /nfs/dbraw/zinc/50/74/60/557507460.db2.gz LCNLMWHAEBHNND-QHCPKHFHSA-N 0 0 445.003 5.059 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 ZINC000223736409 557507497 /nfs/dbraw/zinc/50/74/97/557507497.db2.gz WUGYHBKMQJDRPF-DEOSSOPVSA-N 0 0 440.653 5.342 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223739514 557507711 /nfs/dbraw/zinc/50/77/11/557507711.db2.gz BPNUGBOTNFITFE-AREMUKBSSA-N 0 0 436.640 5.775 40 0 IKABRN CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc(Br)cc2)c2ccccc2O1 ZINC000223739067 557507720 /nfs/dbraw/zinc/50/77/20/557507720.db2.gz OOLZNEYUTQKEKX-HNAYVOBHSA-N 0 0 432.358 5.415 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223738422 557507739 /nfs/dbraw/zinc/50/77/39/557507739.db2.gz ZKSKEMYSCYTPFU-QHCPKHFHSA-N 0 0 444.616 5.091 40 0 IKABRN Cc1ccc([C@@H](NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000223742087 557507907 /nfs/dbraw/zinc/50/79/07/557507907.db2.gz BFIFFSXLEGJJSM-RXSCDKOLSA-N 0 0 436.511 5.265 40 0 IKABRN CC(C)Sc1nnc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)s1 ZINC000223742508 557507915 /nfs/dbraw/zinc/50/79/15/557507915.db2.gz LBYATECXSVXJDT-UHFFFAOYSA-N 0 0 431.608 5.462 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F ZINC000223743672 557508107 /nfs/dbraw/zinc/50/81/07/557508107.db2.gz XEERLFATIXEYQY-QHCPKHFHSA-N 0 0 444.616 5.091 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C ZINC000223745006 557508110 /nfs/dbraw/zinc/50/81/10/557508110.db2.gz AQEUSHPCXSCHFX-DEOSSOPVSA-N 0 0 438.612 5.221 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C ZINC000223744956 557508114 /nfs/dbraw/zinc/50/81/14/557508114.db2.gz AQEUSHPCXSCHFX-XMMPIXPASA-N 0 0 438.612 5.221 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223743415 557508146 /nfs/dbraw/zinc/50/81/46/557508146.db2.gz RQVQZAMLOZMSSR-MHZLTWQESA-N 0 0 444.619 5.805 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F ZINC000223743624 557508191 /nfs/dbraw/zinc/50/81/91/557508191.db2.gz XEERLFATIXEYQY-HSZRJFAPSA-N 0 0 444.616 5.091 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223746064 557508329 /nfs/dbraw/zinc/50/83/29/557508329.db2.gz YDMPGKFSGDXDMQ-JOCHJYFZSA-N 0 0 449.422 5.568 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000019825462 557508527 /nfs/dbraw/zinc/50/85/27/557508527.db2.gz YPQCTLMHGWXHMO-UHFFFAOYSA-N 0 0 449.967 5.081 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 ZINC000223746782 557508604 /nfs/dbraw/zinc/50/86/04/557508604.db2.gz KWYVRBPCIXRANO-ROUUACIJSA-N 0 0 446.395 5.091 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 ZINC000223747108 557508636 /nfs/dbraw/zinc/50/86/36/557508636.db2.gz LEKMTUBYWADFIR-QZTJIDSGSA-N 0 0 446.395 5.091 40 0 IKABRN C/C=C/Cn1c(-c2c(C)oc3ccccc32)cs/c1=N/S(=O)(=O)c1cccs1 ZINC000019882811 557509681 /nfs/dbraw/zinc/50/96/81/557509681.db2.gz RBAXEYGMYQYUME-MNRFKCSFSA-N 0 0 430.576 5.198 40 0 IKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000223766257 557510380 /nfs/dbraw/zinc/51/03/80/557510380.db2.gz ATDNBBWDAZTBBL-IBGZPJMESA-N 0 0 433.523 5.367 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1 ZINC000223763617 557510384 /nfs/dbraw/zinc/51/03/84/557510384.db2.gz WETYONBZAYCIDB-JJWXFRNXSA-N 0 0 446.616 5.700 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 ZINC000223769064 557510785 /nfs/dbraw/zinc/51/07/85/557510785.db2.gz KCVQKRIIBICTFV-DQEYMECFSA-N 0 0 440.572 5.366 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000223770533 557511213 /nfs/dbraw/zinc/51/12/13/557511213.db2.gz DUEITXJKYKTEMA-DNQXCXABSA-N 0 0 444.535 5.197 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000223770585 557511281 /nfs/dbraw/zinc/51/12/81/557511281.db2.gz WZQBYYIUPUMQOK-JOCHJYFZSA-N 0 0 444.641 5.140 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cc(C)cc(C)c2)cc1 ZINC000019947543 557511467 /nfs/dbraw/zinc/51/14/67/557511467.db2.gz KZNHYIQOAVUAGK-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223774847 557511562 /nfs/dbraw/zinc/51/15/62/557511562.db2.gz GWQBTMNZDXRNGH-DNQXCXABSA-N 0 0 427.529 5.527 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000223778095 557512012 /nfs/dbraw/zinc/51/20/12/557512012.db2.gz WIEDFXUTFVURCZ-HSZRJFAPSA-N 0 0 445.003 5.059 40 0 IKABRN Cc1ccccc1CN(C(=O)CCSCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223782687 557512497 /nfs/dbraw/zinc/51/24/97/557512497.db2.gz FQWYVCWJFSAXBG-NRFANRHFSA-N 0 0 438.637 5.094 40 0 IKABRN CC(C)c1ccc(OCC(=O)NCCOc2ccccc2C(C)C)c(Br)c1 ZINC000223781099 557512511 /nfs/dbraw/zinc/51/25/11/557512511.db2.gz JXEJLILUXHRJCI-UHFFFAOYSA-N 0 0 434.374 5.270 40 0 IKABRN Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223785327 557512928 /nfs/dbraw/zinc/51/29/28/557512928.db2.gz AGBSYHXDJMZGOL-QFIPXVFZSA-N 0 0 434.624 5.527 40 0 IKABRN Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223785378 557512939 /nfs/dbraw/zinc/51/29/39/557512939.db2.gz AGBSYHXDJMZGOL-JOCHJYFZSA-N 0 0 434.624 5.527 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223788627 557513420 /nfs/dbraw/zinc/51/34/20/557513420.db2.gz OEXBTJDPSFGCOD-QFIPXVFZSA-N 0 0 449.422 5.650 40 0 IKABRN Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223788783 557513602 /nfs/dbraw/zinc/51/36/02/557513602.db2.gz OHHGKCWOCWFZHT-UHFFFAOYSA-N 0 0 449.787 5.140 40 0 IKABRN Cc1ccccc1CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223790999 557513875 /nfs/dbraw/zinc/51/38/75/557513875.db2.gz OQXNOZFWUFGRGC-KRWDZBQOSA-N 0 0 447.406 5.320 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 ZINC000223792394 557514082 /nfs/dbraw/zinc/51/40/82/557514082.db2.gz KLUQJBOUYWBOIY-DNQXCXABSA-N 0 0 444.560 5.100 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000223792419 557514148 /nfs/dbraw/zinc/51/41/48/557514148.db2.gz IQRXZIWDIBOTGV-OAQYLSRUSA-N 0 0 444.641 5.216 40 0 IKABRN Cc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223792974 557514327 /nfs/dbraw/zinc/51/43/27/557514327.db2.gz CYFIHRSFFYBKSK-GOSISDBHSA-N 0 0 445.028 5.217 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223793362 557514340 /nfs/dbraw/zinc/51/43/40/557514340.db2.gz QNAFOVMLHUGTHA-OAQYLSRUSA-N 0 0 435.395 5.260 40 0 IKABRN Cc1cccc(CN(C(=O)CSCc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223793202 557514363 /nfs/dbraw/zinc/51/43/63/557514363.db2.gz ZWLZSYLMCOPNBR-NRFANRHFSA-N 0 0 438.637 5.013 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223794494 557514373 /nfs/dbraw/zinc/51/43/73/557514373.db2.gz SDHGIMQCFNMPDA-HSZRJFAPSA-N 0 0 429.004 5.223 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1C ZINC000223792795 557514415 /nfs/dbraw/zinc/51/44/15/557514415.db2.gz GDUPMAVNFPOYHX-JOCHJYFZSA-N 0 0 445.003 5.059 40 0 IKABRN CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000020098719 557515218 /nfs/dbraw/zinc/51/52/18/557515218.db2.gz LUVZBTBHTFNBHG-DEOSSOPVSA-N 0 0 447.533 5.498 40 0 IKABRN Cc1cccc(CN(C(=O)CCSCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223805817 557515249 /nfs/dbraw/zinc/51/52/49/557515249.db2.gz JFBVOUGZKHTCPW-NRFANRHFSA-N 0 0 438.637 5.094 40 0 IKABRN Cc1cccc(CN(C(=O)CCSCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223805829 557515286 /nfs/dbraw/zinc/51/52/86/557515286.db2.gz JFBVOUGZKHTCPW-OAQYLSRUSA-N 0 0 438.637 5.094 40 0 IKABRN Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223807290 557515431 /nfs/dbraw/zinc/51/54/31/557515431.db2.gz MOOICFSLTFPDBP-KRWDZBQOSA-N 0 0 447.406 5.320 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223807216 557515440 /nfs/dbraw/zinc/51/54/40/557515440.db2.gz DYSFDVDPYWRORC-QHCPKHFHSA-N 0 0 445.003 5.005 40 0 IKABRN Cc1ccc(CN(C(=O)CSCc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807839 557515709 /nfs/dbraw/zinc/51/57/09/557515709.db2.gz XAFAILLKOVHPTE-NRFANRHFSA-N 0 0 438.637 5.013 40 0 IKABRN Cc1ccc(CN(C(=O)CSCc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807856 557515720 /nfs/dbraw/zinc/51/57/20/557515720.db2.gz XAFAILLKOVHPTE-OAQYLSRUSA-N 0 0 438.637 5.013 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 ZINC000223809615 557515906 /nfs/dbraw/zinc/51/59/06/557515906.db2.gz KMKQLJKCSYCHEU-JOCHJYFZSA-N 0 0 430.589 5.032 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223809191 557515987 /nfs/dbraw/zinc/51/59/87/557515987.db2.gz FYYFCNKOMGPKKG-HSZRJFAPSA-N 0 0 429.004 5.223 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223809490 557516026 /nfs/dbraw/zinc/51/60/26/557516026.db2.gz WZMHRGAEBZAFQP-HSZRJFAPSA-N 0 0 444.616 5.091 40 0 IKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811472 557516279 /nfs/dbraw/zinc/51/62/79/557516279.db2.gz OCTCKKDKMSHAPY-JOCHJYFZSA-N 0 0 448.651 5.701 40 0 IKABRN Cc1ccc(CN(C(=O)CCc2cccc3ccccc32)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813622 557516468 /nfs/dbraw/zinc/51/64/68/557516468.db2.gz ILFWMMRULSBDKF-JOCHJYFZSA-N 0 0 442.603 5.557 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814292 557516542 /nfs/dbraw/zinc/51/65/42/557516542.db2.gz IUMCCKUGHBNXMR-KRWDZBQOSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814245 557516547 /nfs/dbraw/zinc/51/65/47/557516547.db2.gz URPFBJIIZZBTDR-KRWDZBQOSA-N 0 0 447.406 5.320 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 ZINC000223814714 557516678 /nfs/dbraw/zinc/51/66/78/557516678.db2.gz PTRKDQCSDJKTCZ-SFHVURJKSA-N 0 0 445.028 5.049 40 0 IKABRN Nc1c(Br)cc2oc(-c3cccc(C(F)(F)F)c3)nc2c1Br ZINC000020437087 557516768 /nfs/dbraw/zinc/51/67/68/557516768.db2.gz YINASPOWWGMCOD-UHFFFAOYSA-N 0 0 436.025 5.621 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223817300 557516920 /nfs/dbraw/zinc/51/69/20/557516920.db2.gz FAZHSDYRFBQRGR-AREMUKBSSA-N 0 0 448.582 5.635 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223817470 557516964 /nfs/dbraw/zinc/51/69/64/557516964.db2.gz XEONFUPKWRTFJI-QHCPKHFHSA-N 0 0 444.616 5.091 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223825584 557517564 /nfs/dbraw/zinc/51/75/64/557517564.db2.gz SACWAHZQQXPXCP-DQEYMECFSA-N 0 0 446.620 5.964 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223824085 557517661 /nfs/dbraw/zinc/51/76/61/557517661.db2.gz FDSIYIRGXOPEDI-KRWDZBQOSA-N 0 0 447.406 5.402 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223825642 557517693 /nfs/dbraw/zinc/51/76/93/557517693.db2.gz SACWAHZQQXPXCP-RPBOFIJWSA-N 0 0 446.620 5.964 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000223825940 557517725 /nfs/dbraw/zinc/51/77/25/557517725.db2.gz CATOOWRQMFEEOY-LOSJGSFVSA-N 0 0 440.572 5.448 40 0 IKABRN CC(C)CSc1nnc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)s1 ZINC000223829229 557518100 /nfs/dbraw/zinc/51/81/00/557518100.db2.gz PHWBNTTYTXPURD-UHFFFAOYSA-N 0 0 433.986 5.771 40 0 IKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000223833882 557518638 /nfs/dbraw/zinc/51/86/38/557518638.db2.gz AMTMZEBGGRKABG-GOSISDBHSA-N 0 0 447.579 5.339 40 0 IKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000223833932 557518647 /nfs/dbraw/zinc/51/86/47/557518647.db2.gz AMTMZEBGGRKABG-SFHVURJKSA-N 0 0 447.579 5.339 40 0 IKABRN O=C(CSCc1ccccc1Br)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020238236 557518997 /nfs/dbraw/zinc/51/89/97/557518997.db2.gz JGHDYFHNXNJKRH-UHFFFAOYSA-N 0 0 438.696 5.993 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223838527 557519079 /nfs/dbraw/zinc/51/90/79/557519079.db2.gz AOODPMUUKIDTIC-RPBOFIJWSA-N 0 0 440.572 5.448 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223838474 557519089 /nfs/dbraw/zinc/51/90/89/557519089.db2.gz AOODPMUUKIDTIC-DQEYMECFSA-N 0 0 440.572 5.448 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1cccc2ccccc21 ZINC000223839048 557519092 /nfs/dbraw/zinc/51/90/92/557519092.db2.gz AKRONMLOTYLZSF-LJQANCHMSA-N 0 0 436.983 5.369 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223837973 557519099 /nfs/dbraw/zinc/51/90/99/557519099.db2.gz MYCNASSPLMVNMN-ZEQRLZLVSA-N 0 0 432.593 5.574 40 0 IKABRN CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000223837567 557519130 /nfs/dbraw/zinc/51/91/30/557519130.db2.gz MNHSABRGPDBSLA-UHFFFAOYSA-N 0 0 432.967 5.010 40 0 IKABRN C[C@H](SCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020238771 557519177 /nfs/dbraw/zinc/51/91/77/557519177.db2.gz HKTBPOIRHPOYDH-QFIPXVFZSA-N 0 0 430.617 5.242 40 0 IKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223841936 557519523 /nfs/dbraw/zinc/51/95/23/557519523.db2.gz WKPZLSIGPOGCAX-AWEZNQCLSA-N 0 0 441.786 5.133 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223841762 557519547 /nfs/dbraw/zinc/51/95/47/557519547.db2.gz KYXMGUMFOQPHQP-CQSZACIVSA-N 0 0 441.786 5.133 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223842146 557519587 /nfs/dbraw/zinc/51/95/87/557519587.db2.gz DZLUAPZKRGPFHH-CQSZACIVSA-N 0 0 441.786 5.133 40 0 IKABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223841817 557519666 /nfs/dbraw/zinc/51/96/66/557519666.db2.gz KYXMGUMFOQPHQP-AWEZNQCLSA-N 0 0 441.786 5.133 40 0 IKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000020411040 557520020 /nfs/dbraw/zinc/52/00/20/557520020.db2.gz JQHRUVCEWVQNAJ-UHFFFAOYSA-N 0 0 443.937 5.526 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 ZINC000020411188 557520148 /nfs/dbraw/zinc/52/01/48/557520148.db2.gz BALBIPIFZFRFRO-UHFFFAOYSA-N 0 0 425.315 7.177 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)cc1 ZINC000020411344 557520335 /nfs/dbraw/zinc/52/03/35/557520335.db2.gz UMJBQKKDUTUJOG-UHFFFAOYSA-N 0 0 433.508 5.884 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)cc1OC ZINC000020412029 557520508 /nfs/dbraw/zinc/52/05/08/557520508.db2.gz KCFCDPKITNPHOK-UHFFFAOYSA-N 0 0 446.503 5.653 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)cc1OC ZINC000020411953 557520524 /nfs/dbraw/zinc/52/05/24/557520524.db2.gz QIFZIWSLCAMFDJ-UHFFFAOYSA-N 0 0 432.476 5.552 40 0 IKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223849779 557520797 /nfs/dbraw/zinc/52/07/97/557520797.db2.gz VHILDPHJSNQNPK-PKTZIBPZSA-N 0 0 446.963 5.408 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Br ZINC000020412099 557520810 /nfs/dbraw/zinc/52/08/10/557520810.db2.gz VFVDEJUYOVDICV-UHFFFAOYSA-N 0 0 446.341 5.590 40 0 IKABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 ZINC000020412255 557520832 /nfs/dbraw/zinc/52/08/32/557520832.db2.gz SNDIUKLZMBSQJE-UHFFFAOYSA-N 0 0 440.565 5.092 40 0 IKABRN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000020412354 557520837 /nfs/dbraw/zinc/52/08/37/557520837.db2.gz VYJNNWATQWNZIG-UHFFFAOYSA-N 0 0 435.549 5.687 40 0 IKABRN COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2c1 ZINC000020412381 557520844 /nfs/dbraw/zinc/52/08/44/557520844.db2.gz AVWBQOPISAYIDQ-UHFFFAOYSA-N 0 0 447.299 5.902 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020411211 557520948 /nfs/dbraw/zinc/52/09/48/557520948.db2.gz STFWDUSOTNEAPH-UHFFFAOYSA-N 0 0 428.532 7.049 40 0 IKABRN O=C(NCC1(c2ccccc2)CCOCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223854089 557521176 /nfs/dbraw/zinc/52/11/76/557521176.db2.gz HNDYERFEAGZTLH-LYBHJNIJSA-N 0 0 431.963 5.745 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000195528914 557521197 /nfs/dbraw/zinc/52/11/97/557521197.db2.gz FDBXCQIAUYDMBI-QBQLGQOSSA-N 0 0 430.481 5.487 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000223858327 557521570 /nfs/dbraw/zinc/52/15/70/557521570.db2.gz KAAMVHWCYGJLHV-JOCHJYFZSA-N 0 0 449.422 5.650 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223859419 557521649 /nfs/dbraw/zinc/52/16/49/557521649.db2.gz BHLHPGOAARXGIO-IBGZPJMESA-N 0 0 441.015 5.311 40 0 IKABRN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)Cc1cccc2ccccc21 ZINC000002680135 557521838 /nfs/dbraw/zinc/52/18/38/557521838.db2.gz PEHZQMMSXUATQN-UHFFFAOYSA-N 0 0 443.568 6.543 40 0 IKABRN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002679341 557521872 /nfs/dbraw/zinc/52/18/72/557521872.db2.gz UNIOIJRUKSHWRC-UHFFFAOYSA-N 0 0 438.176 5.832 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223865249 557522398 /nfs/dbraw/zinc/52/23/98/557522398.db2.gz MYQYPBGJVCUZGW-INIZCTEOSA-N 0 0 433.379 5.012 40 0 IKABRN Cc1cc(OCc2ccc(C(=O)Nc3nc(-c4ccnn4C)cs3)o2)cc(C)c1Cl ZINC000019637332 557522384 /nfs/dbraw/zinc/52/23/84/557522384.db2.gz YDCKIAFZGNUFHE-UHFFFAOYSA-N 0 0 442.928 5.238 40 0 IKABRN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cc(C4CC4)nn3-c3ccccc3)c12 ZINC000019647420 557522655 /nfs/dbraw/zinc/52/26/55/557522655.db2.gz ZCMJMIZVSCJNFZ-UHFFFAOYSA-N 0 0 448.530 5.353 40 0 IKABRN COc1ccc(NC(=O)c2ccc(CSc3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000003014394 557522907 /nfs/dbraw/zinc/52/29/07/557522907.db2.gz CIHCXIDRFZBIMH-UHFFFAOYSA-N 0 0 441.552 7.032 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1C ZINC000223870748 557523506 /nfs/dbraw/zinc/52/35/06/557523506.db2.gz NVPWWUJEEYMBHY-LOSJGSFVSA-N 0 0 440.572 5.372 40 0 IKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)cc1 ZINC000223871632 557523538 /nfs/dbraw/zinc/52/35/38/557523538.db2.gz WUMNYRGWEBEGFM-GOTSBHOMSA-N 0 0 445.569 5.709 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000223891224 557525764 /nfs/dbraw/zinc/52/57/64/557525764.db2.gz GWESBEIUYWOLMK-ZEQRLZLVSA-N 0 0 431.609 5.241 40 0 IKABRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000223893074 557526163 /nfs/dbraw/zinc/52/61/63/557526163.db2.gz KTZPMNLTIGPNFH-UHFFFAOYSA-N 0 0 437.992 6.529 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C ZINC000223899244 557526734 /nfs/dbraw/zinc/52/67/34/557526734.db2.gz GHNPGIRHWCLWDG-JOCHJYFZSA-N 0 0 449.422 5.568 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000223904665 557527160 /nfs/dbraw/zinc/52/71/60/557527160.db2.gz RGEONJKIYUGPHT-LOSJGSFVSA-N 0 0 439.588 5.115 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000223904472 557527191 /nfs/dbraw/zinc/52/71/91/557527191.db2.gz BKIWSKYHHCYGAJ-JWQCQUIFSA-N 0 0 445.636 5.631 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000223909246 557527650 /nfs/dbraw/zinc/52/76/50/557527650.db2.gz ZBAKFKBAALTWGD-UHFFFAOYSA-N 0 0 434.964 5.367 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223915673 557528359 /nfs/dbraw/zinc/52/83/59/557528359.db2.gz XJEOJCKKUOOREW-RPWUZVMVSA-N 0 0 431.609 5.241 40 0 IKABRN C[C@H]1CCCN(c2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)C1 ZINC000223916174 557528476 /nfs/dbraw/zinc/52/84/76/557528476.db2.gz NDFSUPRGQDQOCS-INIZCTEOSA-N 0 0 441.000 5.718 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 ZINC000223923191 557529458 /nfs/dbraw/zinc/52/94/58/557529458.db2.gz OXYCLGMRYBHHHB-HNNXBMFYSA-N 0 0 439.408 5.029 40 0 IKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000223923055 557529487 /nfs/dbraw/zinc/52/94/87/557529487.db2.gz IBFMIMGGYXRKBM-UHFFFAOYSA-N 0 0 437.923 5.828 40 0 IKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 ZINC000003865099 557529832 /nfs/dbraw/zinc/52/98/32/557529832.db2.gz ZCJKFYHNWQJUCU-UTGKDZDOSA-N 0 0 430.529 5.220 40 0 IKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F ZINC000003865103 557529954 /nfs/dbraw/zinc/52/99/54/557529954.db2.gz KVALJVQIKPOBBW-BPNKWYOKSA-N 0 0 447.531 5.964 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H](O)C(C)(C)C ZINC000004079183 557530512 /nfs/dbraw/zinc/53/05/12/557530512.db2.gz MFXRPKFYWKDYMI-FKNLGNRKSA-N 0 0 444.637 7.499 40 0 IKABRN O=C(NCCCc1cccc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223930849 557530499 /nfs/dbraw/zinc/53/04/99/557530499.db2.gz MSAWQDWNELXCFT-UHFFFAOYSA-N 0 0 444.556 5.003 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000223935195 557531079 /nfs/dbraw/zinc/53/10/79/557531079.db2.gz CUJGUUVRPDOHJJ-UHFFFAOYSA-N 0 0 449.359 5.033 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000223936930 557531301 /nfs/dbraw/zinc/53/13/01/557531301.db2.gz ZGPZMOZJQKBWTG-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN C[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000004177822 557531886 /nfs/dbraw/zinc/53/18/86/557531886.db2.gz HXFMAPRWVFBYGN-DMDPSCGWSA-N 0 0 432.899 5.273 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)c1 ZINC000223947990 557532759 /nfs/dbraw/zinc/53/27/59/557532759.db2.gz OGOLDRYWMPMDNJ-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000223947857 557532782 /nfs/dbraw/zinc/53/27/82/557532782.db2.gz QYYGVKJHRXBCLZ-HXUWFJFHSA-N 0 0 430.614 5.359 40 0 IKABRN CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000223950071 557533062 /nfs/dbraw/zinc/53/30/62/557533062.db2.gz ZIXPZMLCIWFDPQ-FQEVSTJZSA-N 0 0 430.614 5.359 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2)cc1 ZINC000223956107 557534043 /nfs/dbraw/zinc/53/40/43/557534043.db2.gz VMISOZIWGNCNTM-UHFFFAOYSA-N 0 0 442.540 5.715 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](CC(C)C)c3ccccc3)c2)cc1 ZINC000223957484 557534373 /nfs/dbraw/zinc/53/43/73/557534373.db2.gz HOYHMIIUERULAM-XMMPIXPASA-N 0 0 436.577 5.313 40 0 IKABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)c(C)c1 ZINC000223959075 557534544 /nfs/dbraw/zinc/53/45/44/557534544.db2.gz YXQHLNNZVXROLI-DEOSSOPVSA-N 0 0 436.577 5.294 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)cc1C ZINC000223959157 557534563 /nfs/dbraw/zinc/53/45/63/557534563.db2.gz QYXJBKJYVDGGJY-XMMPIXPASA-N 0 0 436.577 5.294 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223959148 557534662 /nfs/dbraw/zinc/53/46/62/557534662.db2.gz UUWKWNAFZLTSEP-CQSZACIVSA-N 0 0 441.786 5.133 40 0 IKABRN Cc1ccccc1[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C(C)C ZINC000223964468 557535705 /nfs/dbraw/zinc/53/57/05/557535705.db2.gz GKAAGEYXMPYJDZ-HSZRJFAPSA-N 0 0 440.540 5.062 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223969346 557536451 /nfs/dbraw/zinc/53/64/51/557536451.db2.gz TWNQVOHWYGQCRP-KRWDZBQOSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223974839 557537302 /nfs/dbraw/zinc/53/73/02/557537302.db2.gz MTYJXIVGYIIJAJ-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN 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ZINC000123255345 557837309 /nfs/dbraw/zinc/83/73/09/557837309.db2.gz WICQHKDZHVVRAU-QJVLRDIYSA-N 0 0 444.700 6.930 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1Cl)[C@H]2O ZINC000123437116 557837500 /nfs/dbraw/zinc/83/75/00/557837500.db2.gz UVKLEPAXPBFJMQ-NOEBDTEGSA-N 0 0 447.446 6.671 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1Cl)[C@H]2O ZINC000123437357 557837513 /nfs/dbraw/zinc/83/75/13/557837513.db2.gz UVKLEPAXPBFJMQ-IVDXEQOSSA-N 0 0 447.446 6.671 40 0 IKABRN Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 ZINC000097610265 557839110 /nfs/dbraw/zinc/83/91/10/557839110.db2.gz ROHGVHKVFPUBQZ-UHFFFAOYSA-N 0 0 438.734 5.192 40 0 IKABRN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3c(C)cccc3C)c2C)cc1 ZINC000138705463 557855575 /nfs/dbraw/zinc/85/55/75/557855575.db2.gz SJQXTKOOEJHUCQ-UHFFFAOYSA-N 0 0 438.527 5.931 40 0 IKABRN CC(=O)N[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000253504728 560037714 /nfs/dbraw/zinc/03/77/14/560037714.db2.gz KSPIGVXMBWTYCY-MFMXPMKQSA-N 0 0 429.733 7.612 40 0 biogenic,in-vitro IKABRN CC(=O)N[C@H]1C[C@H]2[C@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC[C@H]12 ZINC000253505689 560038293 /nfs/dbraw/zinc/03/82/93/560038293.db2.gz ZVBBVQAJSUFYKD-JLDHKSLJSA-N 0 0 429.733 7.612 40 0 biogenic,in-vitro IKABRN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000255256960 560041567 /nfs/dbraw/zinc/04/15/67/560041567.db2.gz OWRQLFZZRDBJKV-VIBYTCFNSA-N 0 0 442.728 6.997 40 0 biogenic,in-vitro IKABRN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000019802560 560094239 /nfs/dbraw/zinc/09/42/39/560094239.db2.gz MCXULCLKYCWUMP-SINXOVDQSA-N 0 0 432.689 6.417 40 0 biogenic,in-vitro IKABRN Fc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675656 560094776 /nfs/dbraw/zinc/09/47/76/560094776.db2.gz XJCFEDRJEALPJR-QHCPKHFHSA-N 0 0 425.467 5.052 40 0 biogenic,in-vitro IKABRN CC(=O)N[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000004104927 560197023 /nfs/dbraw/zinc/19/70/23/560197023.db2.gz KSPIGVXMBWTYCY-GIZFXVQRSA-N 0 0 429.733 7.612 40 0 biogenic,in-vitro IKABRN O=C(Nc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccc3ccccc3c2)c1=O ZINC000004237096 560197619 /nfs/dbraw/zinc/19/76/19/560197619.db2.gz CVTUDCARIKTPGJ-WMZHIEFXSA-N 0 0 435.527 5.320 40 0 biogenic,in-vitro IKABRN CCCCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000005792873 560203142 /nfs/dbraw/zinc/20/31/42/560203142.db2.gz RNIJCNIWUSGVHJ-BWVDWJPHSA-N 0 0 442.772 9.213 40 0 biogenic,in-vitro IKABRN CC(=O)N[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@H]2C1 ZINC000013423853 560216572 /nfs/dbraw/zinc/21/65/72/560216572.db2.gz KSPIGVXMBWTYCY-NDCAPBIGSA-N 0 0 429.733 7.612 40 0 biogenic,in-vitro IKABRN COc1ccc(C(=O)CSc2cc(C)nc(SCC(=O)c3ccc(C)cc3)n2)cc1 ZINC000000900047 562919521 /nfs/dbraw/zinc/91/95/21/562919521.db2.gz UCVZLNNJKDOOBO-UHFFFAOYSA-N 0 0 438.574 5.052 40 0 endogenous,in-man IKABRN Clc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000003212604 562932824 /nfs/dbraw/zinc/93/28/24/562932824.db2.gz CRRMAUNRLGCLBN-UHFFFAOYSA-N 0 0 442.093 6.114 40 0 IKABRN O=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000003988933 562940475 /nfs/dbraw/zinc/94/04/75/562940475.db2.gz LJIUXAHLYIPHOK-UHFFFAOYSA-N 0 0 439.902 5.713 40 0 IKABRN COc1c(CC=C(C)C)c(O)ccc1[C@@H]1COc2cc(O)c(CC=C(C)C)c(O)c2C1=O ZINC000014727573 563014963 /nfs/dbraw/zinc/01/49/63/563014963.db2.gz ARNVYCOTFWJTBS-IBGZPJMESA-N 0 0 438.520 5.188 40 0 biogenic,in-vitro IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000039213791 563098925 /nfs/dbraw/zinc/09/89/25/563098925.db2.gz QRSNTERZEKNKIZ-NHGCSETBSA-N 0 0 444.700 6.930 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000015412389 568622655 /nfs/dbraw/zinc/62/26/55/568622655.db2.gz TTYJZAAAGHKGGM-UHFFFAOYSA-N 0 0 447.771 5.074 40 0 IKABRN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1 ZINC000000956393 568646039 /nfs/dbraw/zinc/64/60/39/568646039.db2.gz MWORUIYUZJFUJW-FYWRMAATSA-N 0 0 431.488 5.021 40 0 IKABRN COC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)cc1 ZINC000000956391 568646102 /nfs/dbraw/zinc/64/61/02/568646102.db2.gz RBPKAZMMOUPZPA-OQLLNIDSSA-N 0 0 431.488 5.021 40 0 IKABRN O=C(CSCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000000984188 568649009 /nfs/dbraw/zinc/64/90/09/568649009.db2.gz IHDBVRGGIMMYJN-UHFFFAOYSA-N 0 0 438.163 5.611 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2ccc(F)cc2)c1C ZINC000026770856 568738808 /nfs/dbraw/zinc/73/88/08/568738808.db2.gz KAISQDHSPDASKX-DEOSSOPVSA-N 0 0 430.548 6.958 40 0 IKABRN COc1ccccc1[C@H](Nc1ccccc1)c1c(C)c(C)sc1NC(=O)c1ccccc1 ZINC000026770889 568738814 /nfs/dbraw/zinc/73/88/14/568738814.db2.gz NKRZGZVMXCQEND-VWLOTQADSA-N 0 0 442.584 6.827 40 0 IKABRN COc1ccc(N[C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000026770765 568738817 /nfs/dbraw/zinc/73/88/17/568738817.db2.gz RUHHGNGKCGHWLP-VWLOTQADSA-N 0 0 442.584 6.827 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(Cl)c2)c2ccccn2)c1C ZINC000026770915 568738826 /nfs/dbraw/zinc/73/88/26/568738826.db2.gz YGYZFAQLOKICBO-QHCPKHFHSA-N 0 0 447.991 6.867 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccc(C)c(C)c2)c2ccccc2)c1C ZINC000026770830 568738837 /nfs/dbraw/zinc/73/88/37/568738837.db2.gz SBBDVKHHXOYRGZ-SANMLTNESA-N 0 0 440.612 7.436 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2F)c2ccccc2)c1C ZINC000026770810 568738852 /nfs/dbraw/zinc/73/88/52/568738852.db2.gz BGPTYQGNTLXTQQ-XMMPIXPASA-N 0 0 430.548 6.958 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2ccccc2F)c1C ZINC000026770891 568738875 /nfs/dbraw/zinc/73/88/75/568738875.db2.gz OTLJSXJXZACBRV-DEOSSOPVSA-N 0 0 430.548 6.958 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(O)c2)c2ccccc2)c1C ZINC000026770792 568738883 /nfs/dbraw/zinc/73/88/83/568738883.db2.gz MXJPAMOZJXFMSA-XMMPIXPASA-N 0 0 428.557 6.524 40 0 IKABRN COc1ccc(N[C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccncc2)cc1 ZINC000026770936 568739059 /nfs/dbraw/zinc/73/90/59/568739059.db2.gz NBRUDUVEDBEQGO-XMMPIXPASA-N 0 0 443.572 6.222 40 0 IKABRN COc1cccc(N[C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccn2)c1 ZINC000026770925 568739068 /nfs/dbraw/zinc/73/90/68/568739068.db2.gz SQUXJPZEBPASBP-XMMPIXPASA-N 0 0 443.572 6.222 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000026780079 568739077 /nfs/dbraw/zinc/73/90/77/568739077.db2.gz VJMRSGNIWRZAPI-UHFFFAOYSA-N 0 0 448.759 5.075 40 0 IKABRN Clc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCCN2CCOCC2)cc1 ZINC000015304106 568755023 /nfs/dbraw/zinc/75/50/23/568755023.db2.gz NBMKXXNPCKSCQZ-LVWGJNHUSA-N 0 0 448.419 5.478 40 0 IKABRN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000004074094 568760402 /nfs/dbraw/zinc/76/04/02/568760402.db2.gz XGDVSJLOTVQNKY-GGTRGPLXSA-N 0 0 440.712 7.446 40 0 biogenic IKABRN Nc1c(Br)cc2nc(-c3ccc(-c4ccccc4)cc3)oc2c1Br ZINC000070461303 568782813 /nfs/dbraw/zinc/78/28/13/568782813.db2.gz VPFSVDGJZFLUDA-UHFFFAOYSA-N 0 0 444.126 6.269 40 0 IKABRN Nc1c(Br)cc2nc(-c3cccc(Br)c3)oc2c1Br ZINC000070461358 568782818 /nfs/dbraw/zinc/78/28/18/568782818.db2.gz QEGCWMFHXFWIHE-UHFFFAOYSA-N 0 0 446.924 5.365 40 0 IKABRN Nc1c(Br)cc2nc(-c3cccc(Cl)c3Cl)oc2c1Br ZINC000070461361 568782852 /nfs/dbraw/zinc/78/28/52/568782852.db2.gz KOHNLNFUTJWNPM-UHFFFAOYSA-N 0 0 436.918 5.909 40 0 IKABRN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230085 568783177 /nfs/dbraw/zinc/78/31/77/568783177.db2.gz KBAOWCPUHIXXOU-HHHXNRCGSA-N 0 0 443.930 6.106 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072230057 568783188 /nfs/dbraw/zinc/78/31/88/568783188.db2.gz PBHYEDMQUNYDPD-NRFANRHFSA-N 0 0 436.722 5.746 40 0 IKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1sc2ccccc2c1Cl ZINC000072229902 568783220 /nfs/dbraw/zinc/78/32/20/568783220.db2.gz VHCJSLQPQZDTPN-HXUWFJFHSA-N 0 0 428.340 6.542 40 0 IKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000072229912 568783230 /nfs/dbraw/zinc/78/32/30/568783230.db2.gz JKSLZFQEEHPTQR-HSZRJFAPSA-N 0 0 438.310 6.587 40 0 IKABRN Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000072230062 568783239 /nfs/dbraw/zinc/78/32/39/568783239.db2.gz KSNJSOXOMZJWNL-QFIPXVFZSA-N 0 0 430.331 5.709 40 0 IKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072229980 568783244 /nfs/dbraw/zinc/78/32/44/568783244.db2.gz YIPJQKFTAYGEKA-FQEVSTJZSA-N 0 0 446.728 5.445 40 0 IKABRN O=C1c2ccccc2C(=O)N1CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000077311943 568785000 /nfs/dbraw/zinc/78/50/00/568785000.db2.gz HBVJWKXCFVAHNT-OAQYLSRUSA-N 0 0 425.406 5.512 40 0 in-vitro IKABRN CC(C)(C)c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 ZINC000001772558 568788045 /nfs/dbraw/zinc/78/80/45/568788045.db2.gz WUNPDUXGPIDMHI-UHFFFAOYSA-N 0 0 439.349 6.398 40 0 IKABRN Cc1cccc(OCCCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1C ZINC000001786412 568788060 /nfs/dbraw/zinc/78/80/60/568788060.db2.gz HDMZSCJXGAUDAR-UHFFFAOYSA-N 0 0 445.382 5.987 40 0 IKABRN CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1OC ZINC000001771347 568788073 /nfs/dbraw/zinc/78/80/73/568788073.db2.gz YQQGDFTYJQIVCI-VCHYOVAHSA-N 0 0 430.544 6.858 40 0 IKABRN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001279219 568788238 /nfs/dbraw/zinc/78/82/38/568788238.db2.gz JWOXGBPNHNPCOG-HSZRJFAPSA-N 0 0 444.332 5.897 40 0 IKABRN CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC ZINC000001904441 568788445 /nfs/dbraw/zinc/78/84/45/568788445.db2.gz KLUYSTSWTSLZHD-WUXMJOGZSA-N 0 0 428.941 5.913 40 0 IKABRN CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000001916395 568788637 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/nfs/dbraw/zinc/22/75/02/569227502.db2.gz WYNLTPXDVJKPCZ-UHFFFAOYSA-N 0 0 446.595 5.116 40 0 IKABRN COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4nccc5ccccc54)CC3)c2)cc1 ZINC000019691073 569227537 /nfs/dbraw/zinc/22/75/37/569227537.db2.gz WFHIRYMAFGIAQK-UHFFFAOYSA-N 0 0 437.543 5.634 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3nc4cc(F)ccc4[nH]3)c2)cc1 ZINC000019690657 569227541 /nfs/dbraw/zinc/22/75/41/569227541.db2.gz QCHMHRGXAIOTJK-QHCPKHFHSA-N 0 0 430.483 5.058 40 0 IKABRN COc1cccc(CC(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)c1 ZINC000019690656 569227580 /nfs/dbraw/zinc/22/75/80/569227580.db2.gz FQGXCIPBUPZILP-UHFFFAOYSA-N 0 0 430.548 5.023 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)[C@@H]3OCCc4ccccc43)c2)cc1 ZINC000019690697 569227605 /nfs/dbraw/zinc/22/76/05/569227605.db2.gz FKCOCCHRXLPCSI-IZZNHLLZSA-N 0 0 428.532 5.043 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3n[nH]c4c3CCCCC4)c2)cc1 ZINC000019690702 569227613 /nfs/dbraw/zinc/22/76/13/569227613.db2.gz 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O=C(c1ccc2ncccc2c1)N1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 ZINC000019692900 569228263 /nfs/dbraw/zinc/22/82/63/569228263.db2.gz XMAYGGQOXPZTSD-VWLOTQADSA-N 0 0 443.934 5.088 40 0 IKABRN CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)C2CCCCC2)CC1 ZINC000019700122 569231010 /nfs/dbraw/zinc/23/10/10/569231010.db2.gz NMPJWXGEISLSBN-UHFFFAOYSA-N 0 0 447.623 5.005 40 0 IKABRN CCN(C(=O)Cc1ccccn1)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 ZINC000019711620 569234920 /nfs/dbraw/zinc/23/49/20/569234920.db2.gz ZXYQPOFOZUYKLH-LOSJGSFVSA-N 0 0 436.502 5.338 40 0 IKABRN CCN(C(=O)Cc1ccccn1)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 ZINC000019711626 569234954 /nfs/dbraw/zinc/23/49/54/569234954.db2.gz HBJKSHGZQXPQKK-LOSJGSFVSA-N 0 0 436.502 5.338 40 0 IKABRN CCN(C(=O)c1ccn(CC)n1)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 ZINC000019711625 569234957 /nfs/dbraw/zinc/23/49/57/569234957.db2.gz LWARRMPDWJVUAP-LADGPHEKSA-N 0 0 439.506 5.231 40 0 IKABRN Cc1nc([C@@H]2CCCCN2Cc2ccccc2-c2ccccc2F)ncc1C(=O)N(C)C 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5.355 40 0 IKABRN O=C(CSc1n[nH]c(COc2ccc(Cl)cc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000021112344 569241503 /nfs/dbraw/zinc/24/15/03/569241503.db2.gz HTLRYJGSFSJSSH-UHFFFAOYSA-N 0 0 443.743 5.075 40 0 IKABRN CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC ZINC000023163377 569241717 /nfs/dbraw/zinc/24/17/17/569241717.db2.gz PRMWHULSADGQDO-KPKJPENVSA-N 0 0 425.699 5.600 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccncc2)cc1C ZINC000024672921 569241829 /nfs/dbraw/zinc/24/18/29/569241829.db2.gz GCJWMCIRBYGIOG-UHFFFAOYSA-N 0 0 443.576 5.294 40 0 IKABRN Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C1=O)S2 ZINC000026570777 569242622 /nfs/dbraw/zinc/24/26/22/569242622.db2.gz YMDSWPZYGHRYGY-XYTYBFHPSA-N 0 0 438.702 8.016 40 0 IKABRN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028206876 569242646 /nfs/dbraw/zinc/24/26/46/569242646.db2.gz KEVSQXBPWRWKAZ-GOSISDBHSA-N 0 0 434.561 5.202 40 0 IKABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000026409583 569242664 /nfs/dbraw/zinc/24/26/64/569242664.db2.gz XCUDGSSQAOUVAV-OAQYLSRUSA-N 0 0 446.572 5.140 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2-c2ccccc2)c1 ZINC000032686336 569243587 /nfs/dbraw/zinc/24/35/87/569243587.db2.gz ABXRKCJNCXWWCN-UHFFFAOYSA-N 0 0 442.588 5.899 40 0 IKABRN CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000033374923 569243673 /nfs/dbraw/zinc/24/36/73/569243673.db2.gz XIAXKIZHPQHPEQ-GOSISDBHSA-N 0 0 449.916 5.051 40 0 IKABRN CCOc1c(Cl)cc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCc1ccccc1 ZINC000033380364 569243704 /nfs/dbraw/zinc/24/37/04/569243704.db2.gz DJCCINLEWOWRAV-UHFFFAOYSA-N 0 0 449.856 6.589 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc1 ZINC000033389690 569243817 /nfs/dbraw/zinc/24/38/17/569243817.db2.gz LXQDGYBFZAWTQE-UHFFFAOYSA-N 0 0 448.466 5.375 40 0 IKABRN COc1cc(C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000033392481 569243910 /nfs/dbraw/zinc/24/39/10/569243910.db2.gz MRZWSMIQGQOTNO-UHFFFAOYSA-N 0 0 440.337 5.906 40 0 IKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000033392772 569243913 /nfs/dbraw/zinc/24/39/13/569243913.db2.gz IEPDMQSPDKBPAP-ZDUSSCGKSA-N 0 0 435.380 5.388 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000033398213 569243915 /nfs/dbraw/zinc/24/39/15/569243915.db2.gz NTSDKPCCMUBVHT-HKOYGPOVSA-N 0 0 437.926 6.750 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000033430715 569243985 /nfs/dbraw/zinc/24/39/85/569243985.db2.gz VAFPPTVKKLYFAU-UHFFFAOYSA-N 0 0 425.912 6.572 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000033431230 569244105 /nfs/dbraw/zinc/24/41/05/569244105.db2.gz XRRQASXYTYLRAJ-UHFFFAOYSA-N 0 0 440.282 6.028 40 0 IKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033524448 569244460 /nfs/dbraw/zinc/24/44/60/569244460.db2.gz KYGJPVUUHNIOTE-UHFFFAOYSA-N 0 0 449.309 5.771 40 0 IKABRN O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000033554967 569244534 /nfs/dbraw/zinc/24/45/34/569244534.db2.gz ASROFSIFEJAHCK-UHFFFAOYSA-N 0 0 441.339 6.713 40 0 IKABRN Cc1cccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000033559881 569244550 /nfs/dbraw/zinc/24/45/50/569244550.db2.gz FTPZVOVRNUNHEZ-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000033581036 569244651 /nfs/dbraw/zinc/24/46/51/569244651.db2.gz NCULKBITEPIIBY-OXQOHEQNSA-N 0 0 432.948 5.086 40 0 IKABRN CC(C)COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 ZINC000033574937 569244702 /nfs/dbraw/zinc/24/47/02/569244702.db2.gz QUUCFTOGEOTTDA-UHFFFAOYSA-N 0 0 447.918 6.401 40 0 IKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cc(C)ccc2C)cc1 ZINC000033573741 569244739 /nfs/dbraw/zinc/24/47/39/569244739.db2.gz NOPUUCMVWCPFFK-UHFFFAOYSA-N 0 0 434.388 6.314 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000033595035 569244827 /nfs/dbraw/zinc/24/48/27/569244827.db2.gz FSFNBNBNYNNHPJ-UHFFFAOYSA-N 0 0 436.766 7.237 40 0 IKABRN Fc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1 ZINC000033597883 569244861 /nfs/dbraw/zinc/24/48/61/569244861.db2.gz KNGRZDQMCLRRJM-UHFFFAOYSA-N 0 0 430.335 6.673 40 0 IKABRN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000033616293 569244969 /nfs/dbraw/zinc/24/49/69/569244969.db2.gz FLFHXMHLDSHPLH-UHFFFAOYSA-N 0 0 427.751 5.058 40 0 IKABRN COc1cc(C(=S)N2CCCCC2)cc(Br)c1OCc1ccccc1F ZINC000033623223 569245132 /nfs/dbraw/zinc/24/51/32/569245132.db2.gz RZUYGEMVPKIOPN-UHFFFAOYSA-N 0 0 438.362 5.337 40 0 IKABRN COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccccc1Cl ZINC000033630575 569245143 /nfs/dbraw/zinc/24/51/43/569245143.db2.gz BIHPOSUTIDXPSY-UHFFFAOYSA-N 0 0 440.790 5.461 40 0 IKABRN CC(C)(C)c1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(C(C)(C)C)c1O ZINC000033655222 569245317 /nfs/dbraw/zinc/24/53/17/569245317.db2.gz GXPVFAQUTPHERP-XDHOZWIPSA-N 0 0 443.996 6.882 40 0 IKABRN COc1cc(C(=S)N2CCCCC2)cc(Br)c1OCc1ccc(C)cc1 ZINC000033654472 569245347 /nfs/dbraw/zinc/24/53/47/569245347.db2.gz UCQPKUIMSUREMS-UHFFFAOYSA-N 0 0 434.399 5.507 40 0 IKABRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000033654375 569245377 /nfs/dbraw/zinc/24/53/77/569245377.db2.gz BPFNGBKPDDMZGQ-UHFFFAOYSA-N 0 0 432.549 5.069 40 0 IKABRN Cn1c(SCc2ccccc2Cl)nnc1-c1cc2cc(Br)ccc2o1 ZINC000033651067 569245402 /nfs/dbraw/zinc/24/54/02/569245402.db2.gz IWKYNHXMSWOKGY-UHFFFAOYSA-N 0 0 434.746 5.937 40 0 IKABRN Cc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1C ZINC000033663577 569245590 /nfs/dbraw/zinc/24/55/90/569245590.db2.gz MKGJACVZXQTJIB-UHFFFAOYSA-N 0 0 433.891 5.748 40 0 IKABRN Cc1ccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)cc1Cl ZINC000033676451 569245744 /nfs/dbraw/zinc/24/57/44/569245744.db2.gz PNXHLQUEOFARES-UHFFFAOYSA-N 0 0 432.907 5.504 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(Cl)cc5)nc4c3)o2)cc1C ZINC000033697316 569245861 /nfs/dbraw/zinc/24/58/61/569245861.db2.gz 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O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000212032944 569255967 /nfs/dbraw/zinc/25/59/67/569255967.db2.gz RMQPWLSTVLOHBB-WOJGMQOQSA-N 0 0 449.837 6.860 40 0 IKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccccc1 ZINC000214037776 569255980 /nfs/dbraw/zinc/25/59/80/569255980.db2.gz ZHSZRRRBHCQXGK-HYARGMPZSA-N 0 0 435.932 6.156 40 0 IKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccc(F)cc1 ZINC000214240530 569256036 /nfs/dbraw/zinc/25/60/36/569256036.db2.gz QHDQGLCOKBYLBA-LPYMAVHISA-N 0 0 437.467 5.780 40 0 IKABRN O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccc(F)cc1 ZINC000214221435 569256060 /nfs/dbraw/zinc/25/60/60/569256060.db2.gz JKONPKUCBDMPGS-YBFXNURJSA-N 0 0 447.409 6.341 40 0 IKABRN Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 ZINC000214171370 569256086 /nfs/dbraw/zinc/25/60/86/569256086.db2.gz NWEIVMJHHKVCJY-RGVLZGJSSA-N 0 0 444.339 6.798 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O[C@H](C)CC ZINC000214241997 569256095 /nfs/dbraw/zinc/25/60/95/569256095.db2.gz WVJRNWJLUAEQBG-NWGMWSOJSA-N 0 0 429.513 5.638 40 0 IKABRN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000214442136 569256139 /nfs/dbraw/zinc/25/61/39/569256139.db2.gz LEXDKLPNEXVZHQ-CAOOACKPSA-N 0 0 442.751 6.282 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C2=O)c1 ZINC000214593267 569256157 /nfs/dbraw/zinc/25/61/57/569256157.db2.gz FUZPYUWCDDOATM-OEAKJJBVSA-N 0 0 433.504 5.950 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OC ZINC000214392410 569256194 /nfs/dbraw/zinc/25/61/94/569256194.db2.gz JKZLKTUSUKZNQV-GIJQJNRQSA-N 0 0 438.332 5.637 40 0 IKABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000214942395 569256220 /nfs/dbraw/zinc/25/62/20/569256220.db2.gz NEQGUEZNQOSFSP-BXUJETTOSA-N 0 0 446.366 5.863 40 0 IKABRN Cn1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000214914208 569256250 /nfs/dbraw/zinc/25/62/50/569256250.db2.gz VAZHTOOYKFDKMU-VCHYOVAHSA-N 0 0 427.323 5.177 40 0 IKABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000215178900 569256392 /nfs/dbraw/zinc/25/63/92/569256392.db2.gz UECJKZJRTMPYFF-PCQWDSEFSA-N 0 0 445.924 5.483 40 0 IKABRN CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc21 ZINC000215139165 569256404 /nfs/dbraw/zinc/25/64/04/569256404.db2.gz WTAYFQWHAXNFHV-AWQFTUOYSA-N 0 0 428.916 6.251 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OC(C)=O ZINC000215105514 569256413 /nfs/dbraw/zinc/25/64/13/569256413.db2.gz OQAKCBOPGGCLMV-DJKKODMXSA-N 0 0 449.887 5.040 40 0 IKABRN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cccc2ccccc21 ZINC000027525763 569262990 /nfs/dbraw/zinc/26/29/90/569262990.db2.gz BRINSHDINAUHDV-UHFFFAOYSA-N 0 0 448.551 6.090 40 0 IKABRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@H]2O ZINC000238900494 569268515 /nfs/dbraw/zinc/26/85/15/569268515.db2.gz IVXHYDUXTYURSY-MQETYOJXSA-N 0 0 446.553 6.383 40 0 IKABRN C[C@@H]1C(=O)CC[C@H]2[C@@]3(C)CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000247653900 569269999 /nfs/dbraw/zinc/26/99/99/569269999.db2.gz OFMXGFHWLZPCFL-XVIHVAIYSA-N 0 0 426.729 8.457 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000247732243 569270065 /nfs/dbraw/zinc/27/00/65/569270065.db2.gz IDXXCTSJGKDOQB-UHFFFAOYSA-N 0 0 427.266 5.633 40 0 IKABRN C[C@H](C(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1)c1ccccc1 ZINC000248195059 569270665 /nfs/dbraw/zinc/27/06/65/569270665.db2.gz ONAOSPSDEHIPSY-LWCVALJOSA-N 0 0 448.533 5.336 40 0 IKABRN Cc1cccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N4)C2)c1 ZINC000248193651 569270695 /nfs/dbraw/zinc/27/06/95/569270695.db2.gz NGXURAVDXYYDHZ-YSIASYRMSA-N 0 0 448.533 5.084 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 ZINC000253505372 569272942 /nfs/dbraw/zinc/27/29/42/569272942.db2.gz JVRUDYNTKOCRNP-CKQQWDMJSA-N 0 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AEYVEKZJRQPOFM-UHFFFAOYSA-N 0 0 439.571 5.489 40 0 IKABRN COc1ccc2[nH]cc(C(=O)N3CCC[C@H](c4ncc(Cc5ccc(Cl)cc5)o4)C3)c2c1 ZINC000257199782 569275430 /nfs/dbraw/zinc/27/54/30/569275430.db2.gz AAUOQTXCPKVXRK-KRWDZBQOSA-N 0 0 449.938 5.429 40 0 IKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@]32C)C1 ZINC000256947251 569275451 /nfs/dbraw/zinc/27/54/51/569275451.db2.gz NSCDXTUACLUGIN-QDQSPRTHSA-N 0 0 442.728 8.350 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(NC(C)=O)cc4)C3)c2)cc1 ZINC000257201029 569275509 /nfs/dbraw/zinc/27/55/09/569275509.db2.gz AFVZDMYBDYHHOV-QFIPXVFZSA-N 0 0 443.547 5.044 40 0 IKABRN COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)c2)c1 ZINC000257201082 569275514 /nfs/dbraw/zinc/27/55/14/569275514.db2.gz AGFGSQZJYFTLMB-IBGZPJMESA-N 0 0 440.547 5.182 40 0 IKABRN O=C1[C@H]2[C@H](C[C@H](c3ccccc3Cl)N2Cc2ccccc2Cl)CN1c1ccccc1 ZINC000257203920 569275619 /nfs/dbraw/zinc/27/56/19/569275619.db2.gz ASFAVQMNQHDUJP-DQMJNTIXSA-N 0 0 437.370 5.972 40 0 IKABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc3ccccc3o1)[C@H]2Cc1ccccc1 ZINC000257204057 569275640 /nfs/dbraw/zinc/27/56/40/569275640.db2.gz ASWVHVWGWHVLFB-QBNIMZGLSA-N 0 0 442.559 5.048 40 0 IKABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3[nH]c4ccc(F)cc4c3C)o2)c1 ZINC000257204143 569275704 /nfs/dbraw/zinc/27/57/04/569275704.db2.gz ATFFHEAFEZFWKU-HSZRJFAPSA-N 0 0 447.510 5.570 40 0 IKABRN O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@H](Cc2cccc3ccncc32)C1 ZINC000257209302 569275863 /nfs/dbraw/zinc/27/58/63/569275863.db2.gz BPVHIWLQNFEESR-OAQYLSRUSA-N 0 0 437.543 5.310 40 0 IKABRN Cc1nn(C)c2ccc(C(=O)N3CCC[C@@H](c4cccc(-c5cccc(Cl)c5)n4)C3)cc12 ZINC000257209701 569275892 /nfs/dbraw/zinc/27/58/92/569275892.db2.gz BROMLNHADUOPOS-HXUWFJFHSA-N 0 0 444.966 5.617 40 0 IKABRN CC(C)=CCC[C@]1(C)Oc2cc(O)ccc2[C@H]2OCC3(CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 ZINC000257211693 569275903 /nfs/dbraw/zinc/27/59/03/569275903.db2.gz BZYRHRFOSUTNHJ-HOKHCIIBSA-N 0 0 443.584 5.604 40 0 IKABRN CC(C)n1c(C[N@@H+]2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)nc2ccccc21 ZINC000257212046 569275904 /nfs/dbraw/zinc/27/59/04/569275904.db2.gz CBRTWPHQYDOXMV-HSZRJFAPSA-N 0 0 442.582 6.122 40 0 IKABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CC[C@@H](CNC(=O)[C@H](C)c3ccc(C)cc3)CC2)on1 ZINC000257214516 569275963 /nfs/dbraw/zinc/27/59/63/569275963.db2.gz CMHMPSUASFNVNT-SYYKKAFVSA-N 0 0 432.568 5.251 40 0 IKABRN COc1ccccc1-c1cccc(CC2(C(=O)N[C@H](C)C[NH+]3CCCC3)CCCCC2)c1 ZINC000257217084 569275989 /nfs/dbraw/zinc/27/59/89/569275989.db2.gz CXJCENKXMUBNLV-JOCHJYFZSA-N 0 0 434.624 5.456 40 0 IKABRN Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)on1 ZINC000257217387 569276005 /nfs/dbraw/zinc/27/60/05/569276005.db2.gz CYSOJEYJVWRUJI-VAMGGRTRSA-N 0 0 436.600 5.484 40 0 IKABRN Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 ZINC000257214565 569276015 /nfs/dbraw/zinc/27/60/15/569276015.db2.gz CMMCBTLJWKOOBN-HHHXNRCGSA-N 0 0 432.612 5.257 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cn5ccc(C)cc5n4)C3)c2)cc1 ZINC000257213133 569276031 /nfs/dbraw/zinc/27/60/31/569276031.db2.gz CGHKTJSKWZAMMK-NRFANRHFSA-N 0 0 440.547 5.042 40 0 IKABRN O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257215232 569276033 /nfs/dbraw/zinc/27/60/33/569276033.db2.gz CPFMMKJEOWWFDO-GOSISDBHSA-N 0 0 449.457 5.218 40 0 IKABRN CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccc(Cl)cc1)N2C(=O)c1ccccc1 ZINC000257213423 569276064 /nfs/dbraw/zinc/27/60/64/569276064.db2.gz CHNLGPJVNKYOGS-JCYRPKCISA-N 0 0 438.999 5.203 40 0 IKABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccccc3F)CC2)n1 ZINC000257218674 569276119 /nfs/dbraw/zinc/27/61/19/569276119.db2.gz DEBJOQKBFGGOGN-KESTWPANSA-N 0 0 432.543 5.505 40 0 IKABRN Cc1ncsc1-c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)ccn1 ZINC000257219680 569276122 /nfs/dbraw/zinc/27/61/22/569276122.db2.gz DHQRBIFHFLXCGJ-FQEVSTJZSA-N 0 0 444.560 5.112 40 0 IKABRN COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2nccc3ccccc32)o1 ZINC000257218872 569276128 /nfs/dbraw/zinc/27/61/28/569276128.db2.gz DERCHGMIDAQGSX-JOCHJYFZSA-N 0 0 427.504 5.190 40 0 IKABRN CC(C)Oc1cccc(CN2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257221224 569276149 /nfs/dbraw/zinc/27/61/49/569276149.db2.gz DOAXLPKTVJZDBR-VWLOTQADSA-N 0 0 446.595 5.196 40 0 IKABRN Cc1ncsc1-c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)ccn1 ZINC000257219681 569276158 /nfs/dbraw/zinc/27/61/58/569276158.db2.gz DHQRBIFHFLXCGJ-HXUWFJFHSA-N 0 0 444.560 5.112 40 0 IKABRN Cc1noc(C)c1CCC(=O)N1CCC[C@]12CO[C@@H](c1ccc(F)cc1)[C@H](C(C)C)C2 ZINC000257218638 569276190 /nfs/dbraw/zinc/27/61/90/569276190.db2.gz DDXWYFBMBBEVBL-HVCNVCAESA-N 0 0 428.548 5.158 40 0 IKABRN CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccccc1)N2C(=O)c1cccc(Cl)c1 ZINC000257221345 569276214 /nfs/dbraw/zinc/27/62/14/569276214.db2.gz DOQBVKAONRSUJO-JCYRPKCISA-N 0 0 438.999 5.203 40 0 IKABRN Cc1[nH]c2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2c1C ZINC000257222041 569276227 /nfs/dbraw/zinc/27/62/27/569276227.db2.gz DRQLPWQOSKSDOZ-OAQYLSRUSA-N 0 0 427.523 6.006 40 0 IKABRN CC(C)(C)OC(=O)N1CCC[C@@H](c2csc(Nc3cccc(C(F)(F)F)n3)n2)C1 ZINC000257222921 569276278 /nfs/dbraw/zinc/27/62/78/569276278.db2.gz DVEAIMMBSNVSFD-GFCCVEGCSA-N 0 0 428.480 5.415 40 0 IKABRN COc1cccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cc(C(C)(C)C)nn4C)C3)c2)c1 ZINC000257223123 569276375 /nfs/dbraw/zinc/27/63/75/569276375.db2.gz DVYHZKIWIBXVKH-FQEVSTJZSA-N 0 0 446.595 5.116 40 0 IKABRN Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc54)o3)CC2)c1 ZINC000257230165 569276407 /nfs/dbraw/zinc/27/64/07/569276407.db2.gz GBCWACFGSFZCGF-XYWHTSSQSA-N 0 0 440.547 5.226 40 0 IKABRN Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)c2)n1 ZINC000257229504 569276429 /nfs/dbraw/zinc/27/64/29/569276429.db2.gz FYIQJPIOCUYJJH-QGZVFWFLSA-N 0 0 446.580 5.103 40 0 IKABRN Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)c2)n1 ZINC000257229503 569276442 /nfs/dbraw/zinc/27/64/42/569276442.db2.gz FYIQJPIOCUYJJH-KRWDZBQOSA-N 0 0 446.580 5.103 40 0 IKABRN Cc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)CCc4c[nH]c5ccccc45)C3)nc2)c1 ZINC000257229870 569276462 /nfs/dbraw/zinc/27/64/62/569276462.db2.gz FZVGQUXJOPQNJE-RUZDIDTESA-N 0 0 437.587 5.801 40 0 IKABRN O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257231372 569276488 /nfs/dbraw/zinc/27/64/88/569276488.db2.gz GGKMRIIAWFEWDT-NRFANRHFSA-N 0 0 435.430 5.176 40 0 IKABRN O=C(N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1)C1(c2ccccc2)CCCC1 ZINC000257230945 569276498 /nfs/dbraw/zinc/27/64/98/569276498.db2.gz GEOWOJLAKYXZRB-RUZDIDTESA-N 0 0 429.539 5.382 40 0 IKABRN O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257231132 569276502 /nfs/dbraw/zinc/27/65/02/569276502.db2.gz GFKCSOQDXBJYJF-LJQANCHMSA-N 0 0 431.923 5.487 40 0 IKABRN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1 ZINC000257231917 569276546 /nfs/dbraw/zinc/27/65/46/569276546.db2.gz GIRIITKFVVCUAJ-UHFFFAOYSA-N 0 0 442.949 5.273 40 0 IKABRN Cc1ccc(Oc2ncccc2C(=O)N2CCC[C@H](Cc3cccc4ncccc34)C2)cn1 ZINC000257231935 569276549 /nfs/dbraw/zinc/27/65/49/569276549.db2.gz GITXMLBEKDICGE-HXUWFJFHSA-N 0 0 438.531 5.220 40 0 IKABRN CC(C)=CCC[C@@]1(C)Oc2ccccc2[C@H]2OC[C@@]3(CCCN3C(=O)OC(C)(C)C)C[C@@H]21 ZINC000257234586 569276576 /nfs/dbraw/zinc/27/65/76/569276576.db2.gz GUGKFRMNUTWHMB-LONWNBDUSA-N 0 0 441.612 6.431 40 0 IKABRN CC(C)CC[C@@]1(C)Oc2c(F)cccc2[C@H]2O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C[C@@H]21 ZINC000257234835 569276604 /nfs/dbraw/zinc/27/66/04/569276604.db2.gz GVHFTOGVIIFKFK-CNGMTMIISA-N 0 0 447.591 6.116 40 0 IKABRN Cc1nnc(Nc2cccc(C3CCN(C(=O)c4oc5ccccc5c4C)CC3)n2)s1 ZINC000257232274 569276684 /nfs/dbraw/zinc/27/66/84/569276684.db2.gz GKCNOVIYDWBIGS-UHFFFAOYSA-N 0 0 433.537 5.060 40 0 IKABRN Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000257233286 569276688 /nfs/dbraw/zinc/27/66/88/569276688.db2.gz GOPNAOXDKBPBFA-UHFFFAOYSA-N 0 0 434.624 5.384 40 0 IKABRN Cc1ccc(C2(C(=O)N3CCC4(CO[C@H](Cc5ccccn5)C4)CC3)CCCCC2)cc1 ZINC000257236660 569276716 /nfs/dbraw/zinc/27/67/16/569276716.db2.gz HDDCQWNIXJLOCL-RUZDIDTESA-N 0 0 432.608 5.232 40 0 IKABRN COc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)C(C)(C)c4cccc(F)c4)C3)nc2)c1 ZINC000257238165 569276723 /nfs/dbraw/zinc/27/67/23/569276723.db2.gz HJWBQVRQNBNGOO-JOCHJYFZSA-N 0 0 446.566 5.504 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2cc3c([nH]c2=O)CCC3)n1 ZINC000257237628 569276734 /nfs/dbraw/zinc/27/67/34/569276734.db2.gz HHJFGGKXBHFWIE-XMMPIXPASA-N 0 0 431.511 5.153 40 0 IKABRN Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257238353 569276738 /nfs/dbraw/zinc/27/67/38/569276738.db2.gz HKOVJAVJTLMMKD-RUZDIDTESA-N 0 0 439.003 5.294 40 0 IKABRN COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2[nH]c3ccc(F)cc3c2C)o1 ZINC000257237319 569276764 /nfs/dbraw/zinc/27/67/64/569276764.db2.gz HFYMMRJKUWSOEQ-QFIPXVFZSA-N 0 0 447.510 5.570 40 0 IKABRN 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Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 ZINC000257242542 569276895 /nfs/dbraw/zinc/27/68/95/569276895.db2.gz IDARNUORXGDDOR-HSZRJFAPSA-N 0 0 448.994 5.728 40 0 IKABRN CCCCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)[nH]n1 ZINC000257244497 569276912 /nfs/dbraw/zinc/27/69/12/569276912.db2.gz ILPCMUVSMYDJCX-QGZVFWFLSA-N 0 0 426.948 5.004 40 0 IKABRN O=C(c1ccccc1-c1ccccc1)N1CCC[C@]2(CN(c3ccccc3)C(=O)O2)CC1 ZINC000257240110 569276918 /nfs/dbraw/zinc/27/69/18/569276918.db2.gz HSCMCGWUOLWHSE-HHHXNRCGSA-N 0 0 426.516 5.375 40 0 IKABRN COc1ccc(Cc2ccc(C3CC[NH+](Cc4cn(C)c5ccc(F)cc45)CC3)nc2)cc1 ZINC000257244404 569276927 /nfs/dbraw/zinc/27/69/27/569276927.db2.gz ILCZVMNXANAECM-UHFFFAOYSA-N 0 0 443.566 5.691 40 0 IKABRN Cc1noc(C)c1C(=O)N1CCC2(CC1)CO[C@@H]1c3cc(Cl)ccc3OC(C)(C)[C@H]1C2 ZINC000257241140 569276950 /nfs/dbraw/zinc/27/69/50/569276950.db2.gz HWTADWSTSSWJRL-GHTZIAJQSA-N 0 0 444.959 5.116 40 0 IKABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc4c(cccc4C)[nH]3)o2)c1 ZINC000257244471 569276951 /nfs/dbraw/zinc/27/69/51/569276951.db2.gz ILLQHUCCXCEMQN-XMMPIXPASA-N 0 0 429.520 5.431 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1 ZINC000257247113 569277015 /nfs/dbraw/zinc/27/70/15/569277015.db2.gz IXNUAYVRXCNFHK-HSZRJFAPSA-N 0 0 437.543 5.634 40 0 IKABRN CCC(=O)N[C@@]1(C)C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257248634 569277032 /nfs/dbraw/zinc/27/70/32/569277032.db2.gz JEOOJKTXJMDMQF-QKNQBKEWSA-N 0 0 425.878 6.237 40 0 IKABRN CCc1cccc(C)c1NC(=O)CN1CCC(c2cccc(Nc3ccc(F)cn3)n2)CC1 ZINC000257249064 569277039 /nfs/dbraw/zinc/27/70/39/569277039.db2.gz JGNXUEKNUHRABT-UHFFFAOYSA-N 0 0 447.558 5.048 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCCC4)C2)n1 ZINC000257247329 569277041 /nfs/dbraw/zinc/27/70/41/569277041.db2.gz IYMQKIVZNKMYGL-LJQANCHMSA-N 0 0 432.543 5.208 40 0 IKABRN COCCC(=O)N[C@]1(C)C[C@H](c2cc(F)c(F)cc2F)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257247547 569277051 /nfs/dbraw/zinc/27/70/51/569277051.db2.gz IZLLLTYDENWQFH-VWPQPMDRSA-N 0 0 441.877 5.262 40 0 IKABRN O=C(c1cc(-c2cccc(F)c2)no1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257249772 569277169 /nfs/dbraw/zinc/27/71/69/569277169.db2.gz JJRLXSMXLUSJQZ-JOCHJYFZSA-N 0 0 449.457 5.566 40 0 IKABRN CC(C)CCC[C@]1(C)Oc2ccccc2[C@H]2OC[C@]3(CCCN3C(=O)OC(C)(C)C)C[C@@H]21 ZINC000257254180 569277170 /nfs/dbraw/zinc/27/71/70/569277170.db2.gz KCBHEVNFKTVEKW-NQOWKFHGSA-N 0 0 443.628 6.511 40 0 IKABRN CC(=O)N[C@@]1(C)C[C@H](c2cc(Br)ccc2O)O[C@H](c2cccc(Cl)c2)C1 ZINC000257254276 569277192 /nfs/dbraw/zinc/27/71/92/569277192.db2.gz KCLAZOHFQVEPIC-XUVXKRRUSA-N 0 0 438.749 5.296 40 0 IKABRN O=C(N1CCC[C@@H](Cc2cccc3ccncc32)CC1)C1(c2cccc(F)c2)CCOCC1 ZINC000257254192 569277207 /nfs/dbraw/zinc/27/72/07/569277207.db2.gz KCDFXLDJUSGDAY-OAQYLSRUSA-N 0 0 446.566 5.294 40 0 IKABRN C[C@]1(NC(=O)CCO)C[C@H](c2ccc(C(F)(F)F)cc2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257258191 569277266 /nfs/dbraw/zinc/27/72/66/569277266.db2.gz KSSXVCQWAFEGTD-DYXWJJEUSA-N 0 0 441.877 5.209 40 0 IKABRN Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5cccc(Cl)c5)n4)C3)ccc2[nH]1 ZINC000257263278 569277376 /nfs/dbraw/zinc/27/73/76/569277376.db2.gz LPCGDYQWNMOIHF-LJQANCHMSA-N 0 0 430.939 5.607 40 0 IKABRN CCOCc1ccc(C(=O)N2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 ZINC000257262685 569277386 /nfs/dbraw/zinc/27/73/86/569277386.db2.gz LMKNQDFTRZJZOC-DEOSSOPVSA-N 0 0 448.994 5.882 40 0 IKABRN O=C(c1cccnc1-c1cncs1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 ZINC000257261990 569277400 /nfs/dbraw/zinc/27/74/00/569277400.db2.gz LJOPMLXABZBNTJ-FQEVSTJZSA-N 0 0 430.533 5.151 40 0 IKABRN Cc1cc(Nc2ccccn2)cc([C@H]2CN(Cc3nc4ccccc4n3C(C)C)CCO2)n1 ZINC000257265758 569277500 /nfs/dbraw/zinc/27/75/00/569277500.db2.gz MADJPVNCYIYNMA-XMMPIXPASA-N 0 0 442.567 5.033 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3cn4cccc(C)c4n3)C2)n1 ZINC000257267722 569277546 /nfs/dbraw/zinc/27/75/46/569277546.db2.gz MINLQZJRXTUXRQ-HXUWFJFHSA-N 0 0 428.511 5.172 40 0 IKABRN O=C(c1cc(-c2ccc(F)cc2)no1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257265697 569277559 /nfs/dbraw/zinc/27/75/59/569277559.db2.gz LZWUXFNLOMPHGU-QFIPXVFZSA-N 0 0 449.457 5.566 40 0 IKABRN Cc1oc(C2CC2)cc1C(=O)NC[C@@H]1CC[C@@H](c2nc(C)ncc2-c2ccncc2C)CC1 ZINC000257267945 569277572 /nfs/dbraw/zinc/27/75/72/569277572.db2.gz MJNQLUINYIHYBR-XUTJKUGGSA-N 0 0 444.579 5.638 40 0 IKABRN COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4[nH]c5ccc(F)cc5c4C)C3)o2)cc1 ZINC000257267681 569277580 /nfs/dbraw/zinc/27/75/80/569277580.db2.gz MIHZVCQNADIKOX-SFHVURJKSA-N 0 0 447.510 5.223 40 0 IKABRN CCCCc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)[nH]n1 ZINC000257275593 569277628 /nfs/dbraw/zinc/27/76/28/569277628.db2.gz NPZKPNXFZCHSMP-NRFANRHFSA-N 0 0 426.948 5.352 40 0 IKABRN O=C(c1cccnc1-c1cncs1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257274568 569277673 /nfs/dbraw/zinc/27/76/73/569277673.db2.gz NLPOVONPXDTMHO-FQEVSTJZSA-N 0 0 448.523 5.290 40 0 IKABRN COc1ccc2[nH]cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(Cl)c5)o4)C3)c2c1 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ZINC000306124229 569284174 /nfs/dbraw/zinc/28/41/74/569284174.db2.gz BKDQOYYDUVXVTG-UHFFFAOYSA-N 0 0 443.595 5.460 40 0 IKABRN C[C@H]1CCCC[C@@H]1NC(=O)c1nc(-c2cnc(NCc3ccccc3)s2)n2ccccc12 ZINC000306139840 569284176 /nfs/dbraw/zinc/28/41/76/569284176.db2.gz UCEFXDULKJLEOH-HKUYNNGSSA-N 0 0 445.592 5.378 40 0 IKABRN CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253623359 569284412 /nfs/dbraw/zinc/28/44/12/569284412.db2.gz MJVCJGGOYKSADY-SRVPGQGKSA-N 0 0 430.673 5.640 40 0 biogenic IKABRN O=c1[nH]c2c(s1)[C@H]1c3cc(Cl)ccc3OC(=O)[C@H]1[C@H](c1ccc(Cl)cc1)S2 ZINC000253618429 569284453 /nfs/dbraw/zinc/28/44/53/569284453.db2.gz JPPPXYICMMZYFE-ZNMIVQPWSA-N 0 0 436.341 5.257 40 0 IKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](CO)C(C)C)n2)cc1 ZINC000328957059 569284978 /nfs/dbraw/zinc/28/49/78/569284978.db2.gz AIUOWACBEPHRFS-HXUWFJFHSA-N 0 0 446.473 5.523 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2cc(C)cc(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328965286 569285005 /nfs/dbraw/zinc/28/50/05/569285005.db2.gz CCTLZBFEPZASAR-INIZCTEOSA-N 0 0 430.474 5.457 40 0 IKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)c(Cl)c1 ZINC000328957733 569285019 /nfs/dbraw/zinc/28/50/19/569285019.db2.gz ALHHTPYJBYIRAE-UHFFFAOYSA-N 0 0 434.849 5.166 40 0 IKABRN Cc1cc(N2CCc3cc(Br)ccc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000328961441 569285024 /nfs/dbraw/zinc/28/50/24/569285024.db2.gz BCWCNXMJHNNKCM-UHFFFAOYSA-N 0 0 429.749 5.507 40 0 IKABRN FC(F)(F)Sc1cccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)c1 ZINC000328960111 569285048 /nfs/dbraw/zinc/28/50/48/569285048.db2.gz AWXXMEQYBKCNCC-UHFFFAOYSA-N 0 0 431.487 5.092 40 0 IKABRN CC(C)c1nc(Nc2ccccc2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000328966694 569285132 /nfs/dbraw/zinc/28/51/32/569285132.db2.gz COFGXEQLYDFQGO-UHFFFAOYSA-N 0 0 428.458 5.805 40 0 IKABRN CC[C@@H](C)Nc1nc(Nc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328967247 569285142 /nfs/dbraw/zinc/28/51/42/569285142.db2.gz CSBBDGAZKKXSTK-CYBMUJFWSA-N 0 0 436.865 5.493 40 0 IKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000328965972 569285182 /nfs/dbraw/zinc/28/51/82/569285182.db2.gz CHOUWWTXNCEZDZ-UHFFFAOYSA-N 0 0 448.876 5.474 40 0 IKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328991943 569285224 /nfs/dbraw/zinc/28/52/24/569285224.db2.gz ITJLNWIKIKMBJT-FQEVSTJZSA-N 0 0 446.473 5.523 40 0 IKABRN CC[C@@H](C)Nc1nc(NCc2cccc(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328990939 569285232 /nfs/dbraw/zinc/28/52/32/569285232.db2.gz IQMUJQPWVGDJFC-MRXNPFEDSA-N 0 0 430.474 5.017 40 0 IKABRN CCc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)C)n1 ZINC000329005800 569285234 /nfs/dbraw/zinc/28/52/34/569285234.db2.gz KYXIQGDGJYPQGL-UHFFFAOYSA-N 0 0 430.474 5.321 40 0 IKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c(Cl)c1 ZINC000328992561 569285284 /nfs/dbraw/zinc/28/52/84/569285284.db2.gz IWXATFDBWBLLLM-UHFFFAOYSA-N 0 0 447.892 5.543 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2c(C)cccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 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CCOc1ccc(C(=O)Nc2cc(-c3nc4cc([C@H](C)CC)ccc4o3)ccc2Cl)cc1 ZINC000001840054 520917939 /nfs/dbraw/zinc/91/79/39/520917939.db2.gz UJXZTYYNWQXHCZ-MRXNPFEDSA-N 0 0 448.950 7.313 40 0 IKABRN CCOc1ccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000020493117 520947703 /nfs/dbraw/zinc/94/77/03/520947703.db2.gz ROEUWVHSXBZICF-UHFFFAOYSA-N 0 0 442.408 5.383 40 0 IKABRN CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(F)cc2)cc1 ZINC000020970345 521051650 /nfs/dbraw/zinc/05/16/50/521051650.db2.gz CKWBORNGVKEYCK-DEOSSOPVSA-N 0 0 442.494 5.502 40 0 IKABRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1OCC ZINC000020633540 521235780 /nfs/dbraw/zinc/23/57/80/521235780.db2.gz BPUXHYZZCLBFPD-HSZRJFAPSA-N 0 0 435.524 5.074 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OCC)c4)cc3n2)cc1 ZINC000017095996 521264255 /nfs/dbraw/zinc/26/42/55/521264255.db2.gz JNEZPCXCQURDFP-UHFFFAOYSA-N 0 0 428.536 5.723 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCC)cc4)cc3n2)cc1 ZINC000017095988 521264359 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40 0 IKABRN CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1Cl ZINC000020492528 521489350 /nfs/dbraw/zinc/48/93/50/521489350.db2.gz LFHLGKAUMJBPKC-PXLXIMEGSA-N 0 0 435.907 5.705 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1Cl ZINC000020459110 521489470 /nfs/dbraw/zinc/48/94/70/521489470.db2.gz CIZVOKVZVMPWBM-XSFVSMFZSA-N 0 0 440.326 6.349 40 0 IKABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)nn12 ZINC000020609764 521572943 /nfs/dbraw/zinc/57/29/43/521572943.db2.gz XJYDFFRTCXSYCJ-UHFFFAOYSA-N 0 0 432.336 5.364 40 0 IKABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(OCC)c(Cl)c4)cc3)nn12 ZINC000020609809 521573340 /nfs/dbraw/zinc/57/33/40/521573340.db2.gz QFHBTJJBIXRRBM-UHFFFAOYSA-N 0 0 441.944 5.110 40 0 IKABRN CCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022255811 521692628 /nfs/dbraw/zinc/69/26/28/521692628.db2.gz PFPDBTYUOIOCCG-QFIPXVFZSA-N 0 0 432.568 5.009 40 0 IKABRN CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022256975 521692789 /nfs/dbraw/zinc/69/27/89/521692789.db2.gz PTTFOBQZPIWELX-UHFFFAOYSA-N 0 0 433.961 5.114 40 0 IKABRN CCN1c2ccccc2[C@]2(C1=O)c1ccc3ccccc3c1Oc1ccc3ccccc3c12 ZINC000012412033 521731218 /nfs/dbraw/zinc/73/12/18/521731218.db2.gz HAZRONPSIPECCG-PMERELPUSA-N 0 0 427.503 6.800 40 0 IKABRN CCc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 ZINC000041076886 521753731 /nfs/dbraw/zinc/75/37/31/521753731.db2.gz DSSCEZSYKYGROS-UHFFFAOYSA-N 0 0 435.980 6.031 40 0 IKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 ZINC000020611303 521769777 /nfs/dbraw/zinc/76/97/77/521769777.db2.gz FPLLHQFGBGPGLL-KRWDZBQOSA-N 0 0 430.508 5.167 40 0 IKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 ZINC000020611011 521769929 /nfs/dbraw/zinc/76/99/29/521769929.db2.gz AFNNAGQITMWDRZ-INIZCTEOSA-N 0 0 434.927 5.812 40 0 IKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)c1 ZINC000016610889 521774300 /nfs/dbraw/zinc/77/43/00/521774300.db2.gz MOMYWCZATVTTRB-OALUTQOASA-N 0 0 442.559 7.438 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000020457099 521778458 /nfs/dbraw/zinc/77/84/58/521778458.db2.gz UHKUGHTXKIJLMF-QHCPKHFHSA-N 0 0 438.574 5.418 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000016194590 521835270 /nfs/dbraw/zinc/83/52/70/521835270.db2.gz KZUJGSLHEHZTQV-QPJJXVBHSA-N 0 0 439.751 6.431 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1Cl ZINC000020610345 521836353 /nfs/dbraw/zinc/83/63/53/521836353.db2.gz PUAAZAQIWKDYAD-UHFFFAOYSA-N 0 0 431.254 5.127 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1Cl ZINC000020609918 521837414 /nfs/dbraw/zinc/83/74/14/521837414.db2.gz UDVYHLOMHYMFAS-UHFFFAOYSA-N 0 0 427.291 5.297 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020141357 521838989 /nfs/dbraw/zinc/83/89/89/521838989.db2.gz MFFVAVHAZDPRRS-UHFFFAOYSA-N 0 0 426.683 5.660 40 0 IKABRN CC[C@@H](C(=O)Nc1cc(-c2nc(-c3ccc4c(c3)OCO4)cs2)nn1C)c1ccccc1 ZINC000035683151 521864651 /nfs/dbraw/zinc/86/46/51/521864651.db2.gz NCBHKWWWFBUBNP-QGZVFWFLSA-N 0 0 446.532 5.072 40 0 IKABRN CC[C@@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022255850 522104676 /nfs/dbraw/zinc/10/46/76/522104676.db2.gz KFTJMFIXOPXCLI-GGAORHGYSA-N 0 0 446.595 5.397 40 0 IKABRN CCc1nc(SCc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n[nH]1 ZINC000020611429 522137146 /nfs/dbraw/zinc/13/71/46/522137146.db2.gz TVPNIPOEMOFREN-UHFFFAOYSA-N 0 0 428.970 5.780 40 0 IKABRN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccccc2)cc(OC)c1OC ZINC000015277002 522151620 /nfs/dbraw/zinc/15/16/20/522151620.db2.gz QNBSEEGFWGMTOJ-UHFFFAOYSA-N 0 0 447.409 5.776 40 0 IKABRN CN(C)c1ccc(C2=NNC(c3cccs3)=Nc3ccc(Br)cc32)cc1 ZINC000012487086 522160300 /nfs/dbraw/zinc/16/03/00/522160300.db2.gz XZRXDHQALWAPHM-UHFFFAOYSA-N 0 0 425.355 5.011 40 0 IKABRN COC(=O)c1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2c2c1CCCC2 ZINC000012645020 522272575 /nfs/dbraw/zinc/27/25/75/522272575.db2.gz ACNORAHSTNETBZ-UHFFFAOYSA-N 0 0 440.952 5.284 40 0 IKABRN COc1cc(C2=NNC(c3cccnc3)=Nc3ccc(C)cc32)ccc1OCc1ccccc1 ZINC000012707463 522309270 /nfs/dbraw/zinc/30/92/70/522309270.db2.gz OMHPLLBUTSBSHJ-UHFFFAOYSA-N 0 0 448.526 5.412 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OCC(C)C)c4)c3)nc2c1 ZINC000016610896 522430873 /nfs/dbraw/zinc/43/08/73/522430873.db2.gz XLCRVQNHUMOTNK-LJQANCHMSA-N 0 0 442.559 7.295 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC(C)C)cc4)c3)nc2c1 ZINC000016610823 522430973 /nfs/dbraw/zinc/43/09/73/522430973.db2.gz PUHQSFCITWBASF-GOSISDBHSA-N 0 0 428.532 7.048 40 0 IKABRN CC[C@@H](C)c1ccccc1OCCOc1ccccc1/C=C1/N=C(c2ccco2)OC1=O ZINC000041078057 522436993 /nfs/dbraw/zinc/43/69/93/522436993.db2.gz ORBUMRQOXSZHES-DTBMRADHSA-N 0 0 431.488 5.595 40 0 IKABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1)c1ccccc1 ZINC000020490760 522531957 /nfs/dbraw/zinc/53/19/57/522531957.db2.gz GCMABXYHEABXLK-QFIPXVFZSA-N 0 0 436.577 5.294 40 0 IKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1-c1cccc2ccccc21 ZINC000020672814 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GYQZBQIUSZUJED-UHFFFAOYSA-N 0 0 435.011 6.923 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)c1 ZINC000020492407 524439185 /nfs/dbraw/zinc/43/91/85/524439185.db2.gz WHXIIJHNJBGHEW-GOSISDBHSA-N 0 0 440.540 5.043 40 0 IKABRN COc1ccccc1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000012705492 524442688 /nfs/dbraw/zinc/44/26/88/524442688.db2.gz JJRDUQQPDVZZPQ-UHFFFAOYSA-N 0 0 447.579 5.198 40 0 IKABRN Cc1cccc(COc2ccc(/C=C3/N=C(c4cccc(Br)c4)OC3=O)cc2)c1 ZINC000017086194 524446131 /nfs/dbraw/zinc/44/61/31/524446131.db2.gz ACVQHEFFFTYIIE-LPYMAVHISA-N 0 0 448.316 5.681 40 0 IKABRN Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccc(Cl)c2)C4)c1 ZINC000020796209 524464194 /nfs/dbraw/zinc/46/41/94/524464194.db2.gz HBJIULQCYHHYIJ-KRWDZBQOSA-N 0 0 434.952 5.291 40 0 IKABRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000020970261 524469154 /nfs/dbraw/zinc/46/91/54/524469154.db2.gz HDEVBYKWDVHYND-HSZRJFAPSA-N 0 0 444.922 5.626 40 0 IKABRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000020970265 524469447 /nfs/dbraw/zinc/46/94/47/524469447.db2.gz HDEVBYKWDVHYND-QHCPKHFHSA-N 0 0 444.922 5.626 40 0 IKABRN COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000012210646 524507444 /nfs/dbraw/zinc/50/74/44/524507444.db2.gz BEQQZVPGWVHUGS-UHFFFAOYSA-N 0 0 425.362 5.856 40 0 IKABRN COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000012639134 524544708 /nfs/dbraw/zinc/54/47/08/524544708.db2.gz UGYWDNSFNCOJBL-HSZRJFAPSA-N 0 0 431.492 5.123 40 0 IKABRN Cc1cccc(N2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc43)CC2)c1C ZINC000012639717 524563356 /nfs/dbraw/zinc/56/33/56/524563356.db2.gz BLZFCAZAKUPJRJ-UHFFFAOYSA-N 0 0 435.984 5.350 40 0 IKABRN COc1ccccc1NC(=S)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 ZINC000035310803 524632122 /nfs/dbraw/zinc/63/21/22/524632122.db2.gz YRMYTGOVZBHEPB-UHFFFAOYSA-N 0 0 434.540 5.152 40 0 IKABRN Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(Cl)cc2)C4)cc1 ZINC000020632614 524649366 /nfs/dbraw/zinc/64/93/66/524649366.db2.gz VDUVKVFJXRYDCO-KRWDZBQOSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1ccc(Cn2c3nnc(-c4ccc(C(F)(F)F)cc4)n3c3ccccc3c2=O)cc1 ZINC000020483987 524770020 /nfs/dbraw/zinc/77/00/20/524770020.db2.gz SBYQJTSSVYNYLB-UHFFFAOYSA-N 0 0 434.421 5.087 40 0 IKABRN Cc1ccc(Cn2c3nnc(SCc4cc(C)ccc4C)n3c3ccccc3c2=O)cc1 ZINC000032985527 524771159 /nfs/dbraw/zinc/77/11/59/524771159.db2.gz DDVQMRYHBZBUID-UHFFFAOYSA-N 0 0 440.572 5.310 40 0 IKABRN Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)c1 ZINC000020796075 524840461 /nfs/dbraw/zinc/84/04/61/524840461.db2.gz DJSNJMXUFABEDP-KRWDZBQOSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)c1 ZINC000020796099 524887868 /nfs/dbraw/zinc/88/78/68/524887868.db2.gz OBPSXAJIBUNSBL-QGZVFWFLSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5Cl)nc4nc3C2)c1 ZINC000020795960 524888357 /nfs/dbraw/zinc/88/83/57/524888357.db2.gz XNRFGMKKKDJZDS-QGZVFWFLSA-N 0 0 434.952 5.291 40 0 IKABRN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@@H]2c1cccc(NC(=O)C2CCCC2)c1 ZINC000012420168 524922888 /nfs/dbraw/zinc/92/28/88/524922888.db2.gz GXAPBFIBEHYHFO-ISJBWFOZSA-N 0 0 435.564 5.978 40 0 IKABRN Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000036007011 524929578 /nfs/dbraw/zinc/92/95/78/524929578.db2.gz CKHWGQAGHQQPTC-NXCFDTQHSA-N 0 0 434.495 5.199 40 0 IKABRN Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4ccccc4)no3)C3CCCC3)C2)cc1 ZINC000022255738 524950320 /nfs/dbraw/zinc/95/03/20/524950320.db2.gz HAPPFXBEZKKWJK-JOCHJYFZSA-N 0 0 444.579 5.233 40 0 IKABRN Cc1ccccc1-n1c(SCC(=O)N(c2ccccc2)C(C)C)nc2ccccc2c1=O ZINC000022079420 525024231 /nfs/dbraw/zinc/02/42/31/525024231.db2.gz JMRUOQNKTSMRIO-UHFFFAOYSA-N 0 0 443.572 5.228 40 0 IKABRN COc1ccc(SCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1OC ZINC000020461175 525100588 /nfs/dbraw/zinc/10/05/88/525100588.db2.gz HSKSXYATAPEQMI-UHFFFAOYSA-N 0 0 446.421 5.152 40 0 IKABRN COc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC ZINC000020457957 525106781 /nfs/dbraw/zinc/10/67/81/525106781.db2.gz RITMUFFMDAPEDB-HNNXBMFYSA-N 0 0 443.952 6.269 40 0 IKABRN Cc1ccc(NC(=O)Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)c(C)c1 ZINC000016769192 525108244 /nfs/dbraw/zinc/10/82/44/525108244.db2.gz ROKVBHIUEFPNOK-UHFFFAOYSA-N 0 0 428.561 5.250 40 0 IKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000020451014 525109087 /nfs/dbraw/zinc/10/90/87/525109087.db2.gz SZUSTHQRWKNIOS-ROUUACIJSA-N 0 0 434.561 5.306 40 0 IKABRN COc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC ZINC000020457960 525111544 /nfs/dbraw/zinc/11/15/44/525111544.db2.gz RITMUFFMDAPEDB-OAHLLOKOSA-N 0 0 443.952 6.269 40 0 IKABRN Cc1cc(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)nc3ccccc32)no1 ZINC000012646022 525157344 /nfs/dbraw/zinc/15/73/44/525157344.db2.gz NMMXWDNIDXKYEX-UHFFFAOYSA-N 0 0 434.565 5.125 40 0 IKABRN COc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(C)cc4)[C@@H]2C3(Cl)Cl)cc1OC ZINC000012318512 525285034 /nfs/dbraw/zinc/28/50/34/525285034.db2.gz LVZMIAHNYYARKX-TZRRMPRUSA-N 0 0 441.354 6.236 40 0 IKABRN Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2C)cc1 ZINC000022409561 525290413 /nfs/dbraw/zinc/29/04/13/525290413.db2.gz VXZQQHKKOKNOQU-UHFFFAOYSA-N 0 0 428.561 5.471 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2C)cc1 ZINC000020484928 525295098 /nfs/dbraw/zinc/29/50/98/525295098.db2.gz CJWXKSNMBPJUCG-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN COc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC ZINC000020451897 525315056 /nfs/dbraw/zinc/31/50/56/525315056.db2.gz GCTWJSCXPUIBMF-INIZCTEOSA-N 0 0 441.980 6.141 40 0 IKABRN C[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000020493424 525331957 /nfs/dbraw/zinc/33/19/57/525331957.db2.gz FRBZJKUVQALIQZ-HXUWFJFHSA-N 0 0 433.617 6.646 40 0 IKABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)C2 ZINC000002999863 525354971 /nfs/dbraw/zinc/35/49/71/525354971.db2.gz UNFFTTLFOJCQPA-UUOWRZLLSA-N 0 0 445.390 6.287 40 0 IKABRN Cc1ccccc1[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccccc1 ZINC000020492721 525368278 /nfs/dbraw/zinc/36/82/78/525368278.db2.gz BWWPRCOYKQGVKO-DEOSSOPVSA-N 0 0 438.365 5.659 40 0 IKABRN COc1ccc([C@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020970409 525384393 /nfs/dbraw/zinc/38/43/93/525384393.db2.gz GCONFLOQGLHSPI-QHCPKHFHSA-N 0 0 444.922 5.626 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000022430766 525502982 /nfs/dbraw/zinc/50/29/82/525502982.db2.gz CZHWLSVHRSUFRW-UHFFFAOYSA-N 0 0 442.625 5.105 40 0 IKABRN Cc1c(-c2ccccc2)c(N)c(Sc2nc3ccccc3s2)c(=O)n1-c1ccccc1 ZINC000020635013 525508558 /nfs/dbraw/zinc/50/85/58/525508558.db2.gz FORSMVZAEBKQBN-UHFFFAOYSA-N 0 0 441.581 6.156 40 0 IKABRN Cc1cc2[nH]c(-c3ccc(-c4ccc(Br)cc4Br)o3)nc2c(C)c1 ZINC000085345556 525580760 /nfs/dbraw/zinc/58/07/60/525580760.db2.gz FQTSSUKFPCJPOB-UHFFFAOYSA-N 0 0 446.142 6.632 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2Cl)cc1 ZINC000020456191 525599756 /nfs/dbraw/zinc/59/97/56/525599756.db2.gz HZUJXUSKKHLYKA-HNNXBMFYSA-N 0 0 446.931 5.079 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 ZINC000020481331 525602431 /nfs/dbraw/zinc/60/24/31/525602431.db2.gz SXWZVRVCECAZMY-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(Cl)c3C)c2)cc1 ZINC000020454356 525604298 /nfs/dbraw/zinc/60/42/98/525604298.db2.gz LMLVHRGGPBXQHO-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000022534486 525604382 /nfs/dbraw/zinc/60/43/82/525604382.db2.gz JLOIABAPSOHPHB-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4c5c(cccc53)CC4)c2)cc1 ZINC000020570716 525612732 /nfs/dbraw/zinc/61/27/32/525612732.db2.gz SXYRQEPGDHKBJK-UHFFFAOYSA-N 0 0 442.540 5.300 40 0 IKABRN Cc1ccc(S(=O)(=O)Oc2ccc([C@H]3O[C@@H]4CCCC[C@@H]4c4sccc43)cc2)cc1 ZINC000017724521 525625117 /nfs/dbraw/zinc/62/51/17/525625117.db2.gz OIHIHXHRQAFSFC-MDNUFGMLSA-N 0 0 440.586 5.970 40 0 IKABRN COc1ccc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000883149 525625927 /nfs/dbraw/zinc/62/59/27/525625927.db2.gz AWOWXLPLHQISMD-SFHVURJKSA-N 0 0 449.620 5.307 40 0 IKABRN Cc1cc2cc(C(=O)N3CCC[C@H](c4cc5nc(C)cc(C(F)(F)F)n5n4)C3)ccc2o1 ZINC000012257782 525635098 /nfs/dbraw/zinc/63/50/98/525635098.db2.gz HKTTVLWHPCRIQM-INIZCTEOSA-N 0 0 442.441 5.131 40 0 IKABRN Cc1cc2cc(NC(=O)c3cc([C@@H]4CCCN(C(=O)C5CCCCC5)C4)no3)ccc2n1C ZINC000019126231 525645990 /nfs/dbraw/zinc/64/59/90/525645990.db2.gz NZBHLNLECIRTFY-LJQANCHMSA-N 0 0 448.567 5.013 40 0 IKABRN COc1ccc2nc(Cl)c(CN(Cc3cccnc3)C(=O)NCc3ccccc3)cc2c1 ZINC000035289731 525666616 /nfs/dbraw/zinc/66/66/16/525666616.db2.gz AULOQIYFDGYTBD-UHFFFAOYSA-N 0 0 446.938 5.204 40 0 IKABRN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)oc2cc1C ZINC000016284198 525668991 /nfs/dbraw/zinc/66/89/91/525668991.db2.gz ZQCKAFUTJAAVAR-UHFFFAOYSA-N 0 0 442.902 7.277 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2F)C(=O)c2ccco2)cc1 ZINC000012478450 525677924 /nfs/dbraw/zinc/67/79/24/525677924.db2.gz NUIGMJWIIGMKJD-VWLOTQADSA-N 0 0 448.538 5.560 40 0 IKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000020610971 525688793 /nfs/dbraw/zinc/68/87/93/525688793.db2.gz QOKGZHMELOBJHG-AWEZNQCLSA-N 0 0 441.318 5.442 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000016284439 525688883 /nfs/dbraw/zinc/68/88/83/525688883.db2.gz ZVLWCBSAEAJJFZ-UHFFFAOYSA-N 0 0 436.515 5.922 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000020488247 525716345 /nfs/dbraw/zinc/71/63/45/525716345.db2.gz AOUJAWCHNHKSLD-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)o2)cc1Cl ZINC000020609891 525748460 /nfs/dbraw/zinc/74/84/60/525748460.db2.gz XXDATRIMFLQPQB-UHFFFAOYSA-N 0 0 428.879 5.895 40 0 IKABRN Cc1ccc(-c2ccccc2CC2(C(=O)Nc3ccc(C(N)=O)cc3)CCOCC2)c(C)c1 ZINC000012231625 525757839 /nfs/dbraw/zinc/75/78/39/525757839.db2.gz ADXDZWNHOCURON-UHFFFAOYSA-N 0 0 442.559 5.047 40 0 IKABRN Cc1c(Cl)cccc1N(CCCC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223728044 525758707 /nfs/dbraw/zinc/75/87/07/525758707.db2.gz KVHZHOXJWXEBDA-UHFFFAOYSA-N 0 0 449.787 5.140 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccccc1 ZINC000035312283 525767878 /nfs/dbraw/zinc/76/78/78/525767878.db2.gz RSPGODJWPJDMIQ-UHFFFAOYSA-N 0 0 449.967 5.081 40 0 IKABRN Cc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797387 525786623 /nfs/dbraw/zinc/78/66/23/525786623.db2.gz FZCARNRHOCBJTP-HSZRJFAPSA-N 0 0 428.923 5.926 40 0 IKABRN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 ZINC000012847138 525852631 /nfs/dbraw/zinc/85/26/31/525852631.db2.gz IIAIGXQNFMCHGE-RBUKOAKNSA-N 0 0 448.876 6.066 40 0 IKABRN C[C@@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1Cl ZINC000016577318 525866282 /nfs/dbraw/zinc/86/62/82/525866282.db2.gz IFSQQFNRMGQSIP-NHCUHLMSSA-N 0 0 434.761 5.664 40 0 IKABRN 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ZINC000012371883 525948851 /nfs/dbraw/zinc/94/88/51/525948851.db2.gz QWWLGCRNAKLDCV-NLMIPJBGSA-N 0 0 432.618 6.258 40 0 IKABRN Cc1ccc([C@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2)cc1 ZINC000020493677 525966648 /nfs/dbraw/zinc/96/66/48/525966648.db2.gz KOCFVGOCEUJXSP-HSZRJFAPSA-N 0 0 430.400 6.441 40 0 IKABRN Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)cc1 ZINC000020632463 525988048 /nfs/dbraw/zinc/98/80/48/525988048.db2.gz HBZQWNWJAUKKQN-QGZVFWFLSA-N 0 0 434.952 5.291 40 0 IKABRN C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020451796 525992652 /nfs/dbraw/zinc/99/26/52/525992652.db2.gz OOGMMZNOCWGYQD-GOSISDBHSA-N 0 0 432.589 6.356 40 0 IKABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3cc(C(C)C)on3)cc2)on1 ZINC000012159141 526044556 /nfs/dbraw/zinc/04/45/56/526044556.db2.gz RXLZIEOSMNHOLW-UHFFFAOYSA-N 0 0 445.523 5.272 40 0 IKABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)on1 ZINC000012159091 526044600 /nfs/dbraw/zinc/04/46/00/526044600.db2.gz 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Cc1ccc2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)c(=O)[nH]c2c1C ZINC000012703923 526228740 /nfs/dbraw/zinc/22/87/40/526228740.db2.gz LUNUIPRENHHZGD-UHFFFAOYSA-N 0 0 437.971 6.165 40 0 IKABRN Cc1ccc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3C)c(Cl)nc2c1C ZINC000012493743 526229478 /nfs/dbraw/zinc/22/94/78/526229478.db2.gz GAVOXURKNXERQU-UHFFFAOYSA-N 0 0 444.966 6.443 40 0 IKABRN Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc32)cc1 ZINC000016778049 526243072 /nfs/dbraw/zinc/24/30/72/526243072.db2.gz UGOPGZJQPGKEIK-UHFFFAOYSA-N 0 0 437.421 5.492 40 0 IKABRN Cc1ccc2nc(Cl)c(CN(Cc3ccc4c(c3)OCO4)C(=O)C(F)(F)F)cc2c1 ZINC000035311029 526251467 /nfs/dbraw/zinc/25/14/67/526251467.db2.gz LAKYWHXHYNJOHM-UHFFFAOYSA-N 0 0 436.817 5.016 40 0 IKABRN Fc1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 ZINC000020509874 526343853 /nfs/dbraw/zinc/34/38/53/526343853.db2.gz FSCJQHMKEUZDGN-NRFANRHFSA-N 0 0 443.341 5.864 40 0 IKABRN Fc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CCCC3(CCCCC3)C2)cc1 ZINC000012642001 526348164 /nfs/dbraw/zinc/34/81/64/526348164.db2.gz BHNDLKRYZBPIJU-QHCPKHFHSA-N 0 0 437.538 5.135 40 0 IKABRN O=C(CCCCCCCCCCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000016428231 526421809 /nfs/dbraw/zinc/42/18/09/526421809.db2.gz FQMRBYPUNIAWKO-UHFFFAOYSA-N 0 0 449.422 7.472 40 0 IKABRN O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000012484188 526437384 /nfs/dbraw/zinc/43/73/84/526437384.db2.gz VRZNGNSLTWQPDL-UHFFFAOYSA-N 0 0 435.910 7.441 40 0 IKABRN Cc1noc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)C3CCCCC3)cc2)c1C ZINC000012182237 526458012 /nfs/dbraw/zinc/45/80/12/526458012.db2.gz BEBYNICNHPOITO-UHFFFAOYSA-N 0 0 432.568 5.735 40 0 IKABRN Cc1noc(C)c1C(=O)N1CCCC[C@@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 ZINC000012230062 526469503 /nfs/dbraw/zinc/46/95/03/526469503.db2.gz NZBFKENMPZZZKX-OAHLLOKOSA-N 0 0 449.477 5.018 40 0 IKABRN O=C(NCc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1)Nc1cccc(Cl)c1 ZINC000016398984 526657978 /nfs/dbraw/zinc/65/79/78/526657978.db2.gz XMRQZMCGFQPNHV-UHFFFAOYSA-N 0 0 443.334 5.637 40 0 IKABRN O=C(c1ccc(CN2CCCc3ccccc32)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000020460523 526669343 /nfs/dbraw/zinc/66/93/43/526669343.db2.gz IEDCIASDZZQIQK-UHFFFAOYSA-N 0 0 446.594 6.482 40 0 IKABRN O=C(c1cccc(F)c1)N(CCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000012469204 526763067 /nfs/dbraw/zinc/76/30/67/526763067.db2.gz BUDMBEPYIDTEOI-UHFFFAOYSA-N 0 0 436.939 6.492 40 0 IKABRN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000022029362 526916395 /nfs/dbraw/zinc/91/63/95/526916395.db2.gz BPXDXUMHEVVWPR-UHFFFAOYSA-N 0 0 443.286 5.041 40 0 IKABRN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000022029367 526917188 /nfs/dbraw/zinc/91/71/88/526917188.db2.gz YUCNHVFYOWDMNI-UHFFFAOYSA-N 0 0 443.286 5.041 40 0 IKABRN Clc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)cc1 ZINC000016524031 526938471 /nfs/dbraw/zinc/93/84/71/526938471.db2.gz ZVNWSRJTDMALKV-UHFFFAOYSA-N 0 0 425.746 7.265 40 0 IKABRN Clc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccccc2Cl)c(Cl)c1 ZINC000014944051 526938740 /nfs/dbraw/zinc/93/87/40/526938740.db2.gz WFQNUYBVYNTKDL-ZRDIBKRKSA-N 0 0 441.745 7.339 40 0 IKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000022237741 526953464 /nfs/dbraw/zinc/95/34/64/526953464.db2.gz JPTZVOIYVYRKFZ-UHFFFAOYSA-N 0 0 426.756 6.432 40 0 IKABRN O=C(COc1ccc2ccccc2c1Br)Nc1ccc(Br)cc1 ZINC000012576497 526973042 /nfs/dbraw/zinc/97/30/42/526973042.db2.gz FLGVKBIHRRUDPR-UHFFFAOYSA-N 0 0 435.115 5.382 40 0 IKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000022245945 527003171 /nfs/dbraw/zinc/00/31/71/527003171.db2.gz MXYFUDOJOWJWJC-UHFFFAOYSA-N 0 0 431.536 6.177 40 0 IKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000022246041 527003519 /nfs/dbraw/zinc/00/35/19/527003519.db2.gz XGWMHQHHKKOVPP-UHFFFAOYSA-N 0 0 435.549 6.738 40 0 IKABRN O=C(CSC1=N[C@@H](c2ccccc2)C[C@H](C(F)(F)F)N1)Nc1ccc(Cl)cc1 ZINC000012848151 527010958 /nfs/dbraw/zinc/01/09/58/527010958.db2.gz BYHXSIPDCNVOCY-HZPDHXFCSA-N 0 0 427.879 5.033 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020484668 527023152 /nfs/dbraw/zinc/02/31/52/527023152.db2.gz XPQKSNCVDONXPZ-QPJJXVBHSA-N 0 0 435.420 5.084 40 0 IKABRN O=C(CSc1ncnc2sc3c(c21)CCC3)N(Cc1ccccc1)c1ccc(F)cc1 ZINC000012469634 527074420 /nfs/dbraw/zinc/07/44/20/527074420.db2.gz IKKUYEYBHJSSMR-UHFFFAOYSA-N 0 0 449.576 5.645 40 0 IKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cc(Cl)ccc1Cl ZINC000012249518 527083560 /nfs/dbraw/zinc/08/35/60/527083560.db2.gz RKJYHTORLNWQBZ-UHFFFAOYSA-N 0 0 444.727 5.340 40 0 IKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1Cl ZINC000012249562 527083661 /nfs/dbraw/zinc/08/36/61/527083661.db2.gz FLGCQVNJNKKKPA-UHFFFAOYSA-N 0 0 444.727 5.340 40 0 IKABRN Cc1nc2c(c(C3CCN(C(=O)c4cccs4)CC3)nn2Cc2ccccc2)c(C)c1C ZINC000012188470 527095083 /nfs/dbraw/zinc/09/50/83/527095083.db2.gz RFEKZTTYZCYYQE-UHFFFAOYSA-N 0 0 444.604 5.486 40 0 IKABRN Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012640290 527119136 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O=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020488328 527159902 /nfs/dbraw/zinc/15/99/02/527159902.db2.gz BBRIGJMFTFCXEZ-UHFFFAOYSA-N 0 0 439.328 5.793 40 0 IKABRN O=C(Nc1ccc(CSc2nc[nH]n2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000020611332 527170395 /nfs/dbraw/zinc/17/03/95/527170395.db2.gz QJVAANRCUJMUFB-UHFFFAOYSA-N 0 0 435.361 5.871 40 0 IKABRN O=C(Nc1ccc(Cc2ccncc2)cc1)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000012374476 527172129 /nfs/dbraw/zinc/17/21/29/527172129.db2.gz NMYYXEBZXDEMHM-MGAZVUHYSA-N 0 0 425.370 5.345 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)N(C1=NCCS1)c1ccc(Br)cc1 ZINC000022079378 527173074 /nfs/dbraw/zinc/17/30/74/527173074.db2.gz KBFZJFOADLIIEK-UHFFFAOYSA-N 0 0 445.169 5.897 40 0 IKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235504 527183602 /nfs/dbraw/zinc/18/36/02/527183602.db2.gz SMYFGXQHJYFNSV-UHFFFAOYSA-N 0 0 442.902 5.084 40 0 IKABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000022527968 527224059 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6.200 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 ZINC000001850011 555720507 /nfs/dbraw/zinc/72/05/07/555720507.db2.gz GPRJBOOOOPHGFA-HNNXBMFYSA-N 0 0 432.951 7.531 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c(C)c1 ZINC000001848261 555720541 /nfs/dbraw/zinc/72/05/41/555720541.db2.gz OJOBRFMITFIROF-UHFFFAOYSA-N 0 0 429.545 5.855 40 0 IKABRN CCOc1cccc(C(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)c1 ZINC000001852909 555720832 /nfs/dbraw/zinc/72/08/32/555720832.db2.gz CWZPTVFZTLDGIM-INIZCTEOSA-N 0 0 448.950 7.313 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)C)c3)nc2c1 ZINC000001851162 555720873 /nfs/dbraw/zinc/72/08/73/555720873.db2.gz YQSOKVMRHRGAPR-ZDUSSCGKSA-N 0 0 429.973 6.131 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000001851377 555721000 /nfs/dbraw/zinc/72/10/00/555721000.db2.gz JTSPCIMKWXCCSD-VMPITWQZSA-N 0 0 439.770 6.298 40 0 IKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3O)nc2c1 ZINC000001858557 555721174 /nfs/dbraw/zinc/72/11/74/555721174.db2.gz TUACKHCBDRPNBU-UHFFFAOYSA-N 0 0 445.544 5.506 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c(C)c1 ZINC000001859549 555721261 /nfs/dbraw/zinc/72/12/61/555721261.db2.gz JSBJSGJFKSWRKW-UHFFFAOYSA-N 0 0 433.558 5.413 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4cccc(C)c4)c3)nc2c1 ZINC000001862232 555721612 /nfs/dbraw/zinc/72/16/12/555721612.db2.gz SQYPNYCVWWZBGO-QGZVFWFLSA-N 0 0 448.950 6.988 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(C)c1 ZINC000001864876 555721616 /nfs/dbraw/zinc/72/16/16/555721616.db2.gz RYDHHWAINSAPMJ-UHFFFAOYSA-N 0 0 433.558 5.413 40 0 IKABRN COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000035074372 555721933 /nfs/dbraw/zinc/72/19/33/555721933.db2.gz URVLVZQGNWWBIC-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN CCOc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000035077535 555722690 /nfs/dbraw/zinc/72/26/90/555722690.db2.gz VPENYNZUZHOKQS-UHFFFAOYSA-N 0 0 438.420 6.379 40 0 IKABRN O=C1c2cc3c(cc2[C@H]2C[C@H](OCc4ccccc4)CC[C@H]2N1Cc1ccccc1)OCO3 ZINC000002049066 555728351 /nfs/dbraw/zinc/72/83/51/555728351.db2.gz DSTSQAROMMWVIN-GZGNHOFSSA-N 0 0 441.527 5.293 40 0 biogenic,in-vitro IKABRN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000035103661 555772316 /nfs/dbraw/zinc/77/23/16/555772316.db2.gz OBBMCYYGWVRFOX-UHFFFAOYSA-N 0 0 435.738 6.759 40 0 IKABRN CCn1c(SCC(=O)c2ccc3ccccc3c2)nc2sc3c(c2c1=O)CCCC3 ZINC000002389570 555775306 /nfs/dbraw/zinc/77/53/06/555775306.db2.gz SDLPTPWBEOYTOH-UHFFFAOYSA-N 0 0 434.586 5.485 40 0 IKABRN CC(C)(C)OC(=O)N[C@](C)(C(=O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000002513952 555785143 /nfs/dbraw/zinc/78/51/43/555785143.db2.gz YXKIXFLUGAVMPW-MHZLTWQESA-N 0 0 431.532 5.837 40 0 IKABRN Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1 ZINC000002521604 555785862 /nfs/dbraw/zinc/78/58/62/555785862.db2.gz JDZUWXRNKHXZFE-UHFFFAOYSA-N 0 0 429.772 8.581 40 0 IKABRN Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl ZINC000002569356 555787908 /nfs/dbraw/zinc/78/79/08/555787908.db2.gz DCPDZFRGNJDWPP-UHFFFAOYSA-N 0 0 429.772 8.581 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 ZINC000002594276 555789471 /nfs/dbraw/zinc/78/94/71/555789471.db2.gz AEUFEIDVRCSVSE-QGZVFWFLSA-N 0 0 446.978 8.037 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)c1 ZINC000408543947 555791088 /nfs/dbraw/zinc/79/10/88/555791088.db2.gz GGUBBANQHHOHDD-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN O=C1S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccccc1 ZINC000002711578 555801091 /nfs/dbraw/zinc/80/10/91/555801091.db2.gz RNFORHKJIYENEO-UNOMPAQXSA-N 0 0 440.318 5.946 40 0 IKABRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccccc1Cl ZINC000002798909 555823778 /nfs/dbraw/zinc/82/37/78/555823778.db2.gz FXVANQJKWZEPGB-LBPRGKRZSA-N 0 0 437.874 5.935 40 0 IKABRN O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1Cl ZINC000035128908 555842338 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Cc1ccc(Cl)cc1NC(=O)COc1ccc(CNc2ccccc2Cl)cc1Cl ZINC000408556231 555893634 /nfs/dbraw/zinc/89/36/34/555893634.db2.gz JCIZZMFIPFTJHR-UHFFFAOYSA-N 0 0 449.765 6.585 40 0 IKABRN COc1ccc(NC(=O)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c(OC)c1 ZINC000408557581 555895677 /nfs/dbraw/zinc/89/56/77/555895677.db2.gz OWUXDJLBAFDGDC-UHFFFAOYSA-N 0 0 427.884 5.197 40 0 IKABRN CCOc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCc1ccccc1 ZINC000408558023 555896848 /nfs/dbraw/zinc/89/68/48/555896848.db2.gz RODUWQVNOJGINE-UHFFFAOYSA-N 0 0 439.511 6.709 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC ZINC000408557988 555896885 /nfs/dbraw/zinc/89/68/85/555896885.db2.gz RFOIKYTURPDNEB-UHFFFAOYSA-N 0 0 425.912 6.572 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1 ZINC000408558807 555898083 /nfs/dbraw/zinc/89/80/83/555898083.db2.gz VYDPHWSWAINYTI-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3OC)c(Cl)c2)cc1 ZINC000408559342 555898986 /nfs/dbraw/zinc/89/89/86/555898986.db2.gz ZGQIQFKJSOCCNV-UHFFFAOYSA-N 0 0 440.927 5.377 40 0 IKABRN CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(Cl)cc3)n2CC)cc1 ZINC000408560158 555899850 /nfs/dbraw/zinc/89/98/50/555899850.db2.gz CGUZURYBKUPASE-LCUIJRPUSA-N 0 0 443.012 6.372 40 0 IKABRN O=C1CS[C@H](c2cccc(OCc3cccc4ccccc43)c2)N1c1ccc(Cl)cc1 ZINC000408560248 555900100 /nfs/dbraw/zinc/90/01/00/555900100.db2.gz YAVWQRCXQODHQH-AREMUKBSSA-N 0 0 445.971 6.851 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(F)cc1 ZINC000408560511 555901402 /nfs/dbraw/zinc/90/14/02/555901402.db2.gz DAHROYJRYPMOLP-ATJXCDBQSA-N 0 0 433.346 5.442 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561256 555903183 /nfs/dbraw/zinc/90/31/83/555903183.db2.gz HIHVTTNPDJEQHZ-DAFNUICNSA-N 0 0 437.367 6.376 40 0 IKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccccc1Cl ZINC000408561707 555904213 /nfs/dbraw/zinc/90/42/13/555904213.db2.gz KKDVSQNFSHAPMW-NMWGTECJSA-N 0 0 425.768 6.246 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561789 555904493 /nfs/dbraw/zinc/90/44/93/555904493.db2.gz LINUSRJIAVHASJ-LVWGJNHUSA-N 0 0 449.403 6.246 40 0 IKABRN CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562484 555905593 /nfs/dbraw/zinc/90/55/93/555905593.db2.gz QBATUJHWDFGBAI-BZZOAKBMSA-N 0 0 428.985 5.819 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1)N1CCCC1 ZINC000408563074 555906768 /nfs/dbraw/zinc/90/67/68/555906768.db2.gz TYRMMZTXVOEQET-UHFFFAOYSA-N 0 0 448.759 5.075 40 0 IKABRN CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)sc2c1CCC2 ZINC000408563118 555907054 /nfs/dbraw/zinc/90/70/54/555907054.db2.gz IUYXILWRSCRFBH-LTGZKZEYSA-N 0 0 447.556 5.601 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(Cl)cc1 ZINC000408563261 555907503 /nfs/dbraw/zinc/90/75/03/555907503.db2.gz UZUNNAILKZLNSR-LVWGJNHUSA-N 0 0 449.403 6.246 40 0 IKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000408563330 555907900 /nfs/dbraw/zinc/90/79/00/555907900.db2.gz VHZAHOQJGFXQAK-NMWGTECJSA-N 0 0 425.768 6.246 40 0 IKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OCC ZINC000408567518 555910952 /nfs/dbraw/zinc/91/09/52/555910952.db2.gz OEEDCMOTXGKOSO-GZTJUZNOSA-N 0 0 447.531 6.327 40 0 IKABRN CCN1CCN(C(=S)c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)CC1 ZINC000408571969 555915303 /nfs/dbraw/zinc/91/53/03/555915303.db2.gz DOGLHHYIYGHGSK-UHFFFAOYSA-N 0 0 443.827 5.539 40 0 IKABRN Cc1cccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)c1 ZINC000408572051 555915647 /nfs/dbraw/zinc/91/56/47/555915647.db2.gz DZBXOUINVBHEHY-UHFFFAOYSA-N 0 0 426.379 5.802 40 0 IKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)nc21 ZINC000408572274 555915914 /nfs/dbraw/zinc/91/59/14/555915914.db2.gz HZVSLBRICKJYJD-ACCUITESSA-N 0 0 433.558 5.700 40 0 IKABRN CCOc1ccc2nc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)sc2c1 ZINC000408572512 555916354 /nfs/dbraw/zinc/91/63/54/555916354.db2.gz IYRINIBNBXRZRU-JLHYYAGUSA-N 0 0 449.557 5.481 40 0 IKABRN CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408563700 555916840 /nfs/dbraw/zinc/91/68/40/555916840.db2.gz WRHBJKIZHFIQER-FLFQWRMESA-N 0 0 435.376 5.855 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)N1NC2=C(CCCCC2)[C@@]1(O)C(F)(F)F ZINC000408563576 555916849 /nfs/dbraw/zinc/91/68/49/555916849.db2.gz OIVQUUNMACWVLR-SIKLNZKXSA-N 0 0 438.490 5.143 40 0 IKABRN CCCc1sc(=NC(=O)C(c2ccccc2)c2ccccc2)n(CC)c1-c1ccccc1 ZINC000408564040 555917434 /nfs/dbraw/zinc/91/74/34/555917434.db2.gz XEWHINRNOUMZJD-ZIADKAODSA-N 0 0 440.612 6.448 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408564460 555917717 /nfs/dbraw/zinc/91/77/17/555917717.db2.gz YLNIJUNFVRZYDT-GFMRDNFCSA-N 0 0 439.795 6.500 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408564620 555918060 /nfs/dbraw/zinc/91/80/60/555918060.db2.gz ZXQBDCCWNIFDNT-FLFQWRMESA-N 0 0 435.376 5.855 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)cc1 ZINC000408579537 555920612 /nfs/dbraw/zinc/92/06/12/555920612.db2.gz HLTDDBNHBMZUTL-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1nc(-c2ccc(C(=O)Nc3cccc(I)c3)cc2)c(C)s1 ZINC000408579993 555921237 /nfs/dbraw/zinc/92/12/37/555921237.db2.gz MKVRCFRRFDNDRO-UHFFFAOYSA-N 0 0 434.302 5.284 40 0 IKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(I)c2)cc1 ZINC000408579968 555921352 /nfs/dbraw/zinc/92/13/52/555921352.db2.gz MBUGUUPVMKVOME-UHFFFAOYSA-N 0 0 448.329 5.538 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000408573304 555923263 /nfs/dbraw/zinc/92/32/63/555923263.db2.gz AWTWFAVOZJEOHK-VMPITWQZSA-N 0 0 442.628 5.759 40 0 IKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000408573251 555923296 /nfs/dbraw/zinc/92/32/96/555923296.db2.gz NDQCIIZKUSHSRU-DTQAZKPQSA-N 0 0 436.536 7.184 40 0 IKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408573904 555924531 /nfs/dbraw/zinc/92/45/31/555924531.db2.gz FBJBFQRKYOKLTF-CQSZACIVSA-N 0 0 430.356 6.344 40 0 IKABRN COc1cc(C(=S)NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 ZINC000408574216 555924944 /nfs/dbraw/zinc/92/49/44/555924944.db2.gz LAAOODRIRZBNFP-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN S=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408574205 555924923 /nfs/dbraw/zinc/92/49/23/555924923.db2.gz KZXIUWPVGBDWHR-UHFFFAOYSA-N 0 0 446.355 5.766 40 0 IKABRN COc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408574247 555924956 /nfs/dbraw/zinc/92/49/56/555924956.db2.gz LFVHANKHLVXUAX-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1ccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000408574345 555925235 /nfs/dbraw/zinc/92/52/35/555925235.db2.gz LYDRODUEAKBGGD-UHFFFAOYSA-N 0 0 442.378 5.502 40 0 IKABRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408575615 555926048 /nfs/dbraw/zinc/92/60/48/555926048.db2.gz NOPDIZVUEJYASP-UHFFFAOYSA-N 0 0 428.690 6.538 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000408575425 555926082 /nfs/dbraw/zinc/92/60/82/555926082.db2.gz UVOYJLYIQZYCSZ-JQIJEIRASA-N 0 0 448.544 5.430 40 0 IKABRN COc1ccc(CNC(=S)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000408576758 555927298 /nfs/dbraw/zinc/92/72/98/555927298.db2.gz QYSXKWKTMNEUEA-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408578158 555929488 /nfs/dbraw/zinc/92/94/88/555929488.db2.gz WGRYMDQSAKXISO-UHFFFAOYSA-N 0 0 446.399 6.436 40 0 IKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(I)cc1 ZINC000408586237 555935254 /nfs/dbraw/zinc/93/52/54/555935254.db2.gz MBKOPLIJARHAIH-UHFFFAOYSA-N 0 0 429.685 5.376 40 0 IKABRN C[C@H]1CC[C@@](C)(COC(=O)c2ccccc2C(=O)OC[C@@]2(C)CC[C@H](C)C2(C)C)C1(C)C ZINC000003846143 555948038 /nfs/dbraw/zinc/94/80/38/555948038.db2.gz NKAAAQIOGVGJLI-LNYGVPGBSA-N 0 0 442.640 6.925 40 0 IKABRN CCOc1ccc2c(c1)S[C@@H](c1ccc(N(C)C)cc1)CC(c1ccc(OC)cc1)=N2 ZINC000003846942 555948503 /nfs/dbraw/zinc/94/85/03/555948503.db2.gz GVSVDYLFQFMYIB-RUZDIDTESA-N 0 0 432.589 6.460 40 0 IKABRN CCCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCC)cc3)CC2)cc1 ZINC000003848670 555948593 /nfs/dbraw/zinc/94/85/93/555948593.db2.gz RTSNPPUHXORZLL-UHFFFAOYSA-N 0 0 436.592 6.689 40 0 IKABRN O=C(c1cccs1)c1noc(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1 ZINC000003848881 555948634 /nfs/dbraw/zinc/94/86/34/555948634.db2.gz GNLOPVXJTDDJIC-UHFFFAOYSA-N 0 0 429.906 5.120 40 0 IKABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000408599746 555958389 /nfs/dbraw/zinc/95/83/89/555958389.db2.gz KADHIWDUSCXNFB-DNTJNYDQSA-N 0 0 445.924 5.340 40 0 IKABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408593872 555959282 /nfs/dbraw/zinc/95/92/82/555959282.db2.gz QJGBJHRAWNWRKQ-UHFFFAOYSA-N 0 0 449.882 5.033 40 0 IKABRN CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000004104780 555962565 /nfs/dbraw/zinc/96/25/65/555962565.db2.gz PSZDOEIIIJFCFE-HFXSPDLASA-N 0 0 442.728 7.141 40 0 IKABRN Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2C)cc1 ZINC000408605920 555966564 /nfs/dbraw/zinc/96/65/64/555966564.db2.gz HIIHXBVLECAAPR-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2C)c(C)c1 ZINC000408602146 555971328 /nfs/dbraw/zinc/97/13/28/555971328.db2.gz CMBDAARUCDOLKV-UHFFFAOYSA-N 0 0 428.598 5.255 40 0 IKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1OCC ZINC000408603178 555972168 /nfs/dbraw/zinc/97/21/68/555972168.db2.gz BGORQJPMNXRDCI-UHFFFAOYSA-N 0 0 449.691 5.493 40 0 IKABRN CCCOc1ccccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000408604179 555973850 /nfs/dbraw/zinc/97/38/50/555973850.db2.gz UDOBYEJAXSRKQJ-LDADJPATSA-N 0 0 432.339 5.474 40 0 IKABRN COc1cc(CNc2ccc(Br)cc2C)cc(Br)c1OC(C)C ZINC000408612261 555977389 /nfs/dbraw/zinc/97/73/89/555977389.db2.gz VCFBTIDLCCRTCM-UHFFFAOYSA-N 0 0 443.179 5.928 40 0 IKABRN Clc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)c(Cl)c1 ZINC000408612424 555977792 /nfs/dbraw/zinc/97/77/92/555977792.db2.gz VWOHAGZGNDGXNV-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN Cc1cc(Br)ccc1NCc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408610169 555980490 /nfs/dbraw/zinc/98/04/90/555980490.db2.gz OBDPBJZKVKRRFD-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN Fc1cccc(COc2ccc(CNc3ccc(F)c(Cl)c3)cc2Br)c1 ZINC000408610748 555981184 /nfs/dbraw/zinc/98/11/84/555981184.db2.gz SACORZAHBIWYKN-UHFFFAOYSA-N 0 0 438.699 6.572 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OC ZINC000408622505 555991346 /nfs/dbraw/zinc/99/13/46/555991346.db2.gz QVWZZLWOISUQNQ-UHFFFAOYSA-N 0 0 441.911 6.191 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OCC ZINC000408622575 555991380 /nfs/dbraw/zinc/99/13/80/555991380.db2.gz RHOADLAUFINLBZ-UHFFFAOYSA-N 0 0 439.939 6.881 40 0 IKABRN COc1cc(C(=O)Nc2ccc(F)c(C)c2)cc(Br)c1OCc1ccccc1 ZINC000408623339 555992333 /nfs/dbraw/zinc/99/23/33/555992333.db2.gz SNXLWKSNUMZZLV-UHFFFAOYSA-N 0 0 444.300 5.737 40 0 IKABRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1c(F)cccc1F ZINC000035196432 555993285 /nfs/dbraw/zinc/99/32/85/555993285.db2.gz SSILIVIEHFXVKW-APTYZTEPSA-N 0 0 439.461 5.388 40 0 IKABRN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000004428300 555994568 /nfs/dbraw/zinc/99/45/68/555994568.db2.gz YXHQCPFGXOFHLR-RLQUZOAZSA-N 0 0 442.558 7.122 40 0 IKABRN COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 ZINC000408625126 555995651 /nfs/dbraw/zinc/99/56/51/555995651.db2.gz WWUVOKRRJJYLFA-UHFFFAOYSA-N 0 0 437.854 6.792 40 0 IKABRN CCOc1ccccc1N(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000408628094 555998747 /nfs/dbraw/zinc/99/87/47/555998747.db2.gz TUTONAMRGQCKSI-UHFFFAOYSA-N 0 0 431.941 5.143 40 0 IKABRN Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408628335 555998994 /nfs/dbraw/zinc/99/89/94/555998994.db2.gz XAJKINMLLAPPTQ-UHFFFAOYSA-N 0 0 447.343 5.116 40 0 IKABRN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(Cl)cc1Cl ZINC000035214218 556004660 /nfs/dbraw/zinc/00/46/60/556004660.db2.gz ORWOKGXQTBFUKR-UHFFFAOYSA-N 0 0 425.340 7.036 40 0 IKABRN CCCCC[C@H](CCC)COC(=O)c1ccccc1C(=O)OC[C@@H](CCC)CCCCC ZINC000004683287 556006346 /nfs/dbraw/zinc/00/63/46/556006346.db2.gz MTYUOIVEVPTXFX-ZEQRLZLVSA-N 0 0 446.672 7.993 40 0 in-vitro IKABRN COc1ccccc1[C@@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004696659 556006610 /nfs/dbraw/zinc/00/66/10/556006610.db2.gz YMIRQPILRMRKAJ-JGCGQSQUSA-N 0 0 440.586 7.862 40 0 IKABRN Cc1ccc(NC(=O)OC/C=C\c2ccccc2)cc1NC(=O)OC/C=C\c1ccccc1 ZINC000004771162 556011225 /nfs/dbraw/zinc/01/12/25/556011225.db2.gz GXZKRNGRSMDMBL-SFGFDRCGSA-N 0 0 442.515 6.519 40 0 IKABRN CCC(C)(C)SCC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]21 ZINC000004804323 556012467 /nfs/dbraw/zinc/01/24/67/556012467.db2.gz OGDFLFXEEQMLTP-UOOXCUFBSA-N 0 0 432.714 7.587 40 0 IKABRN COc1ccc(OC)c(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)c1 ZINC000408635488 556013206 /nfs/dbraw/zinc/01/32/06/556013206.db2.gz CBQJTFDKWVWLNY-UHFFFAOYSA-N 0 0 434.879 5.098 40 0 IKABRN 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ZINC000408641432 556017553 /nfs/dbraw/zinc/01/75/53/556017553.db2.gz LJSUIFSEYODBNW-LLVKDONJSA-N 0 0 442.140 5.056 40 0 IKABRN CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CC)CC4)cn3)cc2N)CC1 ZINC000004891631 556017944 /nfs/dbraw/zinc/01/79/44/556017944.db2.gz QDYNBQQGPVMCGI-UHFFFAOYSA-N 0 0 432.696 8.869 40 0 IKABRN CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H]4C(Cl)(Cl)[C@@]45CC(=O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000004897056 556018298 /nfs/dbraw/zinc/01/82/98/556018298.db2.gz UFSQBZDHAWVKPF-DGUAWOKISA-N 0 0 427.412 5.704 40 0 IKABRN CCCCCC[C@H](CCCCCCCCCCC(=O)OC[C@H](C)CCC)OC(=O)CC ZINC000004897246 556018619 /nfs/dbraw/zinc/01/86/19/556018619.db2.gz DHZVTDROULFHNL-JWQCQUIFSA-N 0 0 440.709 8.159 40 0 IKABRN CSC(=S)OCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000004901406 556018947 /nfs/dbraw/zinc/01/89/47/556018947.db2.gz GTRLSBCDXSIBTA-WRPYGWGESA-N 0 0 436.771 8.116 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)OC(C)(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000004916836 556020876 /nfs/dbraw/zinc/02/08/76/556020876.db2.gz CCIXUKKJUQWDOM-UAJKYJIQSA-N 0 0 444.656 6.475 40 0 IKABRN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1C ZINC000408645841 556021762 /nfs/dbraw/zinc/02/17/62/556021762.db2.gz MQRHUUZCMFMCRM-UHFFFAOYSA-N 0 0 428.463 5.453 40 0 IKABRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)c1 ZINC000408646111 556022066 /nfs/dbraw/zinc/02/20/66/556022066.db2.gz SZVVZHYOPOGEKX-LJQANCHMSA-N 0 0 446.522 6.041 40 0 IKABRN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 ZINC000408646779 556022373 /nfs/dbraw/zinc/02/23/73/556022373.db2.gz WKFGEVHDAZEQEJ-NRFANRHFSA-N 0 0 428.532 5.650 40 0 IKABRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O ZINC000408647400 556022827 /nfs/dbraw/zinc/02/28/27/556022827.db2.gz VHYPXSLUHZAMQR-MJGOQNOKSA-N 0 0 434.923 5.681 40 0 IKABRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408647255 556022861 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CCOc1ccc(O)c(C(=O)CCCCCCCC(=O)c2cc(OCC)ccc2O)c1 ZINC000005953527 556070803 /nfs/dbraw/zinc/07/08/03/556070803.db2.gz LOXAUEJGCFGHRL-UHFFFAOYSA-N 0 0 428.525 5.692 40 0 IKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(CC)cccc2CC)cc1 ZINC000408676396 556071374 /nfs/dbraw/zinc/07/13/74/556071374.db2.gz NOKIJNBFOPWEKI-UHFFFAOYSA-N 0 0 440.543 5.951 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Br)cc1 ZINC000408677777 556071827 /nfs/dbraw/zinc/07/18/27/556071827.db2.gz RKQUZVBPIBZUHV-UHFFFAOYSA-N 0 0 449.304 5.199 40 0 IKABRN CCCCc1ccc(NC(=O)C(=O)c2c(-c3ccc(OCC)cc3)cc3ccccn32)cc1 ZINC000408677883 556072130 /nfs/dbraw/zinc/07/21/30/556072130.db2.gz SASRFKKRHKSNDD-UHFFFAOYSA-N 0 0 440.543 6.169 40 0 IKABRN C[C@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000006066842 556073624 /nfs/dbraw/zinc/07/36/24/556073624.db2.gz XCDQFROEGGNAER-VYFOYESCSA-N 0 0 428.745 8.249 40 0 biogenic,in-vitro IKABRN 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556228763 /nfs/dbraw/zinc/22/87/63/556228763.db2.gz LJVJTMUKMGQHJH-OQLLNIDSSA-N 0 0 437.830 5.486 40 0 IKABRN O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1)c1ccccc1 ZINC000408749109 556230876 /nfs/dbraw/zinc/23/08/76/556230876.db2.gz DNTXAVQENXSEPJ-UHFFFAOYSA-N 0 0 445.396 7.148 40 0 IKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000009063972 556244595 /nfs/dbraw/zinc/24/45/95/556244595.db2.gz OOZDCHDUFLBPNV-UHFFFAOYSA-N 0 0 441.343 5.664 40 0 IKABRN CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(Cl)cc1 ZINC000009139504 556249191 /nfs/dbraw/zinc/24/91/91/556249191.db2.gz PKOZLOCFNPQITN-UHFFFAOYSA-N 0 0 435.380 5.701 40 0 IKABRN CCOc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C)cc3)NC2=S)cc1 ZINC000009189161 556252312 /nfs/dbraw/zinc/25/23/12/556252312.db2.gz WIVSZQQVEQCZTO-KQWNVCNZSA-N 0 0 444.556 5.235 40 0 IKABRN CC(C)(C)c1ccc(-c2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)n[nH]2)cc1 ZINC000009199470 556257042 /nfs/dbraw/zinc/25/70/42/556257042.db2.gz SVQWWNDKAKUSGY-UHFFFAOYSA-N 0 0 435.380 5.807 40 0 IKABRN CC(C)(C)c1ccc(-c2nc(SCc3ccc(I)cc3)n[nH]2)cc1 ZINC000009199363 556257115 /nfs/dbraw/zinc/25/71/15/556257115.db2.gz LVWOSYKSRNQXBJ-UHFFFAOYSA-N 0 0 449.361 5.666 40 0 IKABRN O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1cccc(Cl)c1 ZINC000009199922 556257394 /nfs/dbraw/zinc/25/73/94/556257394.db2.gz NHHHLXOLUCFNBD-UHFFFAOYSA-N 0 0 435.936 5.634 40 0 IKABRN Ic1ccc(-c2nnc(SCc3cccc4ccccc43)o2)cc1 ZINC000009200248 556257402 /nfs/dbraw/zinc/25/74/02/556257402.db2.gz CQKWMIFLTFOCOS-UHFFFAOYSA-N 0 0 444.297 5.787 40 0 IKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000009232640 556261693 /nfs/dbraw/zinc/26/16/93/556261693.db2.gz BVDOYNBYYXKAGN-MDBUFAAASA-N 0 0 436.360 6.407 40 0 IKABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000009232633 556261702 /nfs/dbraw/zinc/26/17/02/556261702.db2.gz HGPNYHNXMXCPQB-OTGIAGGSSA-N 0 0 436.360 6.407 40 0 IKABRN O=C(C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000009233532 556262472 /nfs/dbraw/zinc/26/24/72/556262472.db2.gz 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ZINC000013687349 556277063 /nfs/dbraw/zinc/27/70/63/556277063.db2.gz PNNIAQHTWCHUNW-UHFFFAOYSA-N 0 0 428.532 5.534 40 0 IKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1OCc1ccccc1 ZINC000013687117 556277075 /nfs/dbraw/zinc/27/70/75/556277075.db2.gz NTAAFLZFOUSSCN-UHFFFAOYSA-N 0 0 425.553 6.810 40 0 IKABRN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccccc1CCc1ccccc1 ZINC000013688321 556278047 /nfs/dbraw/zinc/27/80/47/556278047.db2.gz HPRZWHIXJORLEM-UHFFFAOYSA-N 0 0 444.427 6.442 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000013709151 556283591 /nfs/dbraw/zinc/28/35/91/556283591.db2.gz MRUZYWSSXDOITF-HXUWFJFHSA-N 0 0 427.569 6.847 40 0 IKABRN C[C@@]1(c2ccccc2)CC(c2ccccc2)=C[C@](O)(c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000009348761 556284007 /nfs/dbraw/zinc/28/40/07/556284007.db2.gz WXOFSVGQZXAZRK-RTOKGZNSSA-N 0 0 444.574 6.819 40 0 IKABRN CC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712697 556285116 /nfs/dbraw/zinc/28/51/16/556285116.db2.gz FSLSGNJPHLODCQ-QFIPXVFZSA-N 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/nfs/dbraw/zinc/30/17/83/556301783.db2.gz LVCPPVZBPCXOKS-UHFFFAOYSA-N 0 0 426.463 6.412 40 0 IKABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000009665812 556304877 /nfs/dbraw/zinc/30/48/77/556304877.db2.gz COTYLEKFVSAXNK-UHFFFAOYSA-N 0 0 434.487 5.029 40 0 IKABRN CC(=O)OC1=CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000036371734 556307138 /nfs/dbraw/zinc/30/71/38/556307138.db2.gz DOZKIOWESDDEID-HPFPHAIXSA-N 0 0 442.728 8.555 40 0 IKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4Cc5no[n+]([O-])c5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000036371659 556307195 /nfs/dbraw/zinc/30/71/95/556307195.db2.gz WOECLDQDCSEWTG-GHULRNIJSA-N 0 0 428.661 6.344 40 0 IKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cccc2ccccc21 ZINC000036664689 556308244 /nfs/dbraw/zinc/30/82/44/556308244.db2.gz IHIYGFWTDDAXCT-UHFFFAOYSA-N 0 0 425.897 5.186 40 0 IKABRN Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1Cl ZINC000009810478 556309328 /nfs/dbraw/zinc/30/93/28/556309328.db2.gz NVXPAYMNWGPNPX-UHFFFAOYSA-N 0 0 427.744 5.173 40 0 IKABRN CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(Cl)c1 ZINC000009822984 556309397 /nfs/dbraw/zinc/30/93/97/556309397.db2.gz XHBCFOAUUXPYCK-UHFFFAOYSA-N 0 0 440.878 5.368 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c(C)c1 ZINC000009886529 556314960 /nfs/dbraw/zinc/31/49/60/556314960.db2.gz ULXSMCHZMPKGQD-UHFFFAOYSA-N 0 0 428.513 5.204 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2)c1 ZINC000009924815 556316664 /nfs/dbraw/zinc/31/66/64/556316664.db2.gz GKPYQAGRHWAQSC-UHFFFAOYSA-N 0 0 428.561 5.590 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccc2)c1 ZINC000009924830 556316720 /nfs/dbraw/zinc/31/67/20/556316720.db2.gz FZMKYFUSBIBAQM-UHFFFAOYSA-N 0 0 428.561 5.590 40 0 IKABRN CC(C)c1nn2c(nnc3c2C[C@@H](c2ccccc2O)CC3=O)c1-c1cccc(Cl)c1 ZINC000010157001 556327255 /nfs/dbraw/zinc/32/72/55/556327255.db2.gz IVAKBFVGTFBMNB-OAHLLOKOSA-N 0 0 432.911 5.186 40 0 IKABRN Cc1cc(Br)ccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000036811771 556328750 /nfs/dbraw/zinc/32/87/50/556328750.db2.gz NYJXCZJIWATCFG-OAQYLSRUSA-N 0 0 437.337 5.257 40 0 IKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)S(C)(=O)=O)c1 ZINC000010325000 556331197 /nfs/dbraw/zinc/33/11/97/556331197.db2.gz UYXYDYDFBKFNBY-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(C)c4C)cc3C[C@H]2C)cc1 ZINC000010326565 556331444 /nfs/dbraw/zinc/33/14/44/556331444.db2.gz CTMGWNKGNOQHPU-GOSISDBHSA-N 0 0 434.561 5.004 40 0 IKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(Cl)c4)cc3C[C@@H]2C)cc1 ZINC000010326649 556331501 /nfs/dbraw/zinc/33/15/01/556331501.db2.gz ZHOKBMNKPPXUSF-INIZCTEOSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3C[C@@H]2C)cc1 ZINC000010326620 556331535 /nfs/dbraw/zinc/33/15/35/556331535.db2.gz JJSUNRFRTYPKNE-IBGZPJMESA-N 0 0 448.588 5.511 40 0 IKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000010331239 556332178 /nfs/dbraw/zinc/33/21/78/556332178.db2.gz FDISMUXWMYBMCV-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000010333979 556332602 /nfs/dbraw/zinc/33/26/02/556332602.db2.gz KCDPVUPXDPROHU-UHFFFAOYSA-N 0 0 449.787 5.140 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1Cl ZINC000010336960 556333208 /nfs/dbraw/zinc/33/32/08/556333208.db2.gz CCOOVQZAYYOZPK-UHFFFAOYSA-N 0 0 446.931 5.006 40 0 IKABRN Cc1cc(C)nc(Nc2ncc(-c3ccc(Br)cc3)n2-c2ccc(C)c(C)c2)n1 ZINC000010381842 556333812 /nfs/dbraw/zinc/33/38/12/556333812.db2.gz XLHOTMORJXZDKF-UHFFFAOYSA-N 0 0 448.368 6.069 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000010446263 556334887 /nfs/dbraw/zinc/33/48/87/556334887.db2.gz ZBDVSQOGHNBGPC-UHFFFAOYSA-N 0 0 439.964 6.370 40 0 IKABRN COC(=O)c1c(NC(=O)c2ccccc2SCc2ccccc2)sc2c1CCCC2 ZINC000010690973 556337549 /nfs/dbraw/zinc/33/75/49/556337549.db2.gz VSUMXVCNSFZQAX-UHFFFAOYSA-N 0 0 437.586 5.958 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 ZINC000214622646 556337783 /nfs/dbraw/zinc/33/77/83/556337783.db2.gz RWHCUSAZSBQCST-OEAKJJBVSA-N 0 0 449.959 6.464 40 0 IKABRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 ZINC000214628686 556337810 /nfs/dbraw/zinc/33/78/10/556337810.db2.gz PNNFPSWLIOYEAD-FYJGNVAPSA-N 0 0 433.485 5.278 40 0 IKABRN Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c1 ZINC000214631569 556338039 /nfs/dbraw/zinc/33/80/39/556338039.db2.gz IGPGWBVGWRZWCY-BUVRLJJBSA-N 0 0 429.541 6.119 40 0 IKABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Br)cc1F ZINC000011399743 556341012 /nfs/dbraw/zinc/34/10/12/556341012.db2.gz HECGYYNAYQHHBV-UHFFFAOYSA-N 0 0 437.490 5.022 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2c(cc1Br)OCCO2 ZINC000011689866 556346570 /nfs/dbraw/zinc/34/65/70/556346570.db2.gz XKLOUGLVUPUQRC-UHFFFAOYSA-N 0 0 436.611 5.145 40 0 IKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Oc2ccccc2)cc1 ZINC000013979541 556351120 /nfs/dbraw/zinc/35/11/20/556351120.db2.gz QRBIPINYQAYMJW-UHFFFAOYSA-N 0 0 432.701 5.912 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 ZINC000013990893 556352822 /nfs/dbraw/zinc/35/28/22/556352822.db2.gz VLXORPPFAPURIX-UHFFFAOYSA-N 0 0 430.548 5.108 40 0 IKABRN CC[C@H](Oc1cccc(C)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014022914 556357182 /nfs/dbraw/zinc/35/71/82/556357182.db2.gz OCGLDTBMLCEDND-SANMLTNESA-N 0 0 428.576 5.086 40 0 IKABRN CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000014030980 556357458 /nfs/dbraw/zinc/35/74/58/556357458.db2.gz GDDFBKXPWGMZTE-UHFFFAOYSA-N 0 0 438.549 5.145 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Br ZINC000014036303 556358200 /nfs/dbraw/zinc/35/82/00/556358200.db2.gz BVAOJBOOOBGGJO-UHFFFAOYSA-N 0 0 426.310 5.354 40 0 IKABRN Cc1noc(C)c1Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)s1 ZINC000012088077 556401138 /nfs/dbraw/zinc/40/11/38/556401138.db2.gz CMFQOTGQOWKPQR-GOSISDBHSA-N 0 0 446.576 5.094 40 0 IKABRN Cc1noc(C)c1Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)s1 ZINC000012088078 556401248 /nfs/dbraw/zinc/40/12/48/556401248.db2.gz CMFQOTGQOWKPQR-SFHVURJKSA-N 0 0 446.576 5.094 40 0 IKABRN COC(=O)c1c(NC(=O)c2cccs2)sc(C)c1-c1ccc(Br)cc1 ZINC000032598931 556408100 /nfs/dbraw/zinc/40/81/00/556408100.db2.gz CSBQBOOQRDUYKT-UHFFFAOYSA-N 0 0 436.352 5.586 40 0 IKABRN CCCCC1CCC(C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OCC)CC1 ZINC000004352793 556408866 /nfs/dbraw/zinc/40/88/66/556408866.db2.gz LLDSUJXDXCYEJF-UHFFFAOYSA-N 0 0 431.573 6.666 40 0 IKABRN COc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccc(OC)c(OC)c4)c3n2)cc1 ZINC000014257456 556410923 /nfs/dbraw/zinc/41/09/23/556410923.db2.gz MKVDRRUWSVJGLE-UHFFFAOYSA-N 0 0 429.398 5.108 40 0 IKABRN COc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2-c2ccccc2)cc1 ZINC000014406251 556415545 /nfs/dbraw/zinc/41/55/45/556415545.db2.gz OFQJTIAPOJAFAK-UHFFFAOYSA-N 0 0 444.600 6.641 40 0 IKABRN O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000014406295 556415648 /nfs/dbraw/zinc/41/56/48/556415648.db2.gz GHUVNRSWAQMITP-UHFFFAOYSA-N 0 0 449.019 7.285 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000014492687 556419270 /nfs/dbraw/zinc/41/92/70/556419270.db2.gz NKYUZOHIBFKLFP-UHFFFAOYSA-N 0 0 434.952 5.627 40 0 IKABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cc1 ZINC000014495258 556419303 /nfs/dbraw/zinc/41/93/03/556419303.db2.gz GQGNAXUPXMHGRH-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000039373538 556433554 /nfs/dbraw/zinc/43/35/54/556433554.db2.gz JOBAYBRAHVTSSW-NTUCOQBPSA-N 0 0 442.728 8.206 40 0 IKABRN COc1cc(Cl)c(S(=O)(=O)n2c3ccccc3nc2Cc2ccccc2)cc1Cl ZINC000027823244 556433714 /nfs/dbraw/zinc/43/37/14/556433714.db2.gz XPLRRIIQGYBBOI-UHFFFAOYSA-N 0 0 447.343 5.180 40 0 IKABRN O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000027825664 556433971 /nfs/dbraw/zinc/43/39/71/556433971.db2.gz SYFCYPJUZOXCIS-UHFFFAOYSA-N 0 0 448.522 5.055 40 0 IKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014704042 556434457 /nfs/dbraw/zinc/43/44/57/556434457.db2.gz CLODSXVRVRTLFV-UHFFFAOYSA-N 0 0 428.941 5.374 40 0 IKABRN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2cccnc2)C[C@H](C(C)(C)C)CC3)cc1 ZINC000039389021 556434569 /nfs/dbraw/zinc/43/45/69/556434569.db2.gz UCQVCXBZGLCJAX-GOSISDBHSA-N 0 0 447.604 6.107 40 0 IKABRN Cc1cc(I)cnc1NC(=O)c1sc2ccccc2c1Cl ZINC000027905940 556434832 /nfs/dbraw/zinc/43/48/32/556434832.db2.gz NXILNOORWPLDIM-UHFFFAOYSA-N 0 0 428.682 5.115 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039761252 556436358 /nfs/dbraw/zinc/43/63/58/556436358.db2.gz WSDDDHOTEZEEHP-UHFFFAOYSA-N 0 0 446.950 5.287 40 0 IKABRN Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000037100521 556440350 /nfs/dbraw/zinc/44/03/50/556440350.db2.gz YDDJPPMOIZOORL-SANMLTNESA-N 0 0 443.978 5.876 40 0 IKABRN Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000037100519 556440396 /nfs/dbraw/zinc/44/03/96/556440396.db2.gz YDDJPPMOIZOORL-AREMUKBSSA-N 0 0 443.978 5.876 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039757910 556441556 /nfs/dbraw/zinc/44/15/56/556441556.db2.gz XZZAHSCQZFPBKH-UHFFFAOYSA-N 0 0 436.958 5.597 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000039758618 556441927 /nfs/dbraw/zinc/44/19/27/556441927.db2.gz TWRPVTCQRYDWBD-OVCLIPMQSA-N 0 0 444.878 5.294 40 0 IKABRN Cc1ccc2c(c1)C(c1ccccc1)=NCCC(=O)N2Cc1cccc(Br)c1 ZINC000028048383 556443037 /nfs/dbraw/zinc/44/30/37/556443037.db2.gz UZJFUULTYAPHDR-UHFFFAOYSA-N 0 0 433.349 5.532 40 0 IKABRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000028189046 556444575 /nfs/dbraw/zinc/44/45/75/556444575.db2.gz WTBPMKVLLJQVES-UHFFFAOYSA-N 0 0 439.924 5.303 40 0 IKABRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000028189044 556444643 /nfs/dbraw/zinc/44/46/43/556444643.db2.gz SEAMMYBAKAPFJN-UHFFFAOYSA-N 0 0 439.924 5.303 40 0 IKABRN CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408879767 556470040 /nfs/dbraw/zinc/47/00/40/556470040.db2.gz FKAUDQCJEKSHNK-SXGWCWSVSA-N 0 0 442.751 6.282 40 0 IKABRN CCCCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000015015930 556485202 /nfs/dbraw/zinc/48/52/02/556485202.db2.gz WQIAPOZBZNCNRY-HSZRJFAPSA-N 0 0 444.560 6.096 40 0 IKABRN Oc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1 ZINC000015016016 556485521 /nfs/dbraw/zinc/48/55/21/556485521.db2.gz VLVJTLVVOXDJLQ-NRFANRHFSA-N 0 0 448.935 5.693 40 0 IKABRN Cc1cc(Br)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1C ZINC000408910642 556495454 /nfs/dbraw/zinc/49/54/54/556495454.db2.gz HGWVDLIXUYJDEA-UHFFFAOYSA-N 0 0 431.157 6.170 40 0 IKABRN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Br)c1 ZINC000408912584 556499304 /nfs/dbraw/zinc/49/93/04/556499304.db2.gz OAPQIVAWXTVOCA-UHFFFAOYSA-N 0 0 437.548 6.207 40 0 IKABRN Cc1cccc(OCCCC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1C ZINC000013227608 556500058 /nfs/dbraw/zinc/50/00/58/556500058.db2.gz GBFSLDADNQREIX-JOCHJYFZSA-N 0 0 444.579 5.144 40 0 IKABRN Clc1ccc(-c2cc(-c3nn4c(nnc4-c4ccc(Cl)cc4Cl)s3)n[nH]2)cc1 ZINC000015079976 556500685 /nfs/dbraw/zinc/50/06/85/556500685.db2.gz DXKUEWVBBHVVOM-UHFFFAOYSA-N 0 0 447.738 5.870 40 0 IKABRN Clc1ccc(-c2nnc3sc(-c4cccc(Br)c4)nn32)c(Cl)c1 ZINC000015081041 556501124 /nfs/dbraw/zinc/50/11/24/556501124.db2.gz LGHPROARDYYFGE-UHFFFAOYSA-N 0 0 426.126 5.589 40 0 IKABRN Clc1ccc(C2=Nn3c(nnc3-c3ccc4c(c3)O[C@@H](c3ccccc3)C4)SC2)cc1 ZINC000015083115 556501694 /nfs/dbraw/zinc/50/16/94/556501694.db2.gz WYPSVJZMLKIFRQ-OAQYLSRUSA-N 0 0 444.947 5.633 40 0 IKABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)cc1 ZINC000030753076 556503576 /nfs/dbraw/zinc/50/35/76/556503576.db2.gz KMXWLGVXLBKFPE-DEOSSOPVSA-N 0 0 436.577 5.010 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1 ZINC000030755365 556504428 /nfs/dbraw/zinc/50/44/28/556504428.db2.gz BZUBYXPMGWSXCO-HSZRJFAPSA-N 0 0 436.577 5.294 40 0 IKABRN C[C@@H]1CC[C@@](C)(COC(=O)c2ccccc2C(=O)OC[C@@]2(C)CC[C@@H](C)C2(C)C)C1(C)C ZINC000013405251 556504851 /nfs/dbraw/zinc/50/48/51/556504851.db2.gz NKAAAQIOGVGJLI-UYZPOPDZSA-N 0 0 442.640 6.925 40 0 IKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030758331 556505207 /nfs/dbraw/zinc/50/52/07/556505207.db2.gz FHJIPSGQFBPYJF-VWLOTQADSA-N 0 0 445.559 6.020 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)cc1C ZINC000408920821 556505673 /nfs/dbraw/zinc/50/56/73/556505673.db2.gz OFDYCSQRRQPCJH-SFHVURJKSA-N 0 0 440.590 5.224 40 0 IKABRN Cc1cccc(N2CCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)c1C ZINC000030778190 556505794 /nfs/dbraw/zinc/50/57/94/556505794.db2.gz MNFGZFCTKVIIND-UHFFFAOYSA-N 0 0 437.543 5.588 40 0 IKABRN COc1cccc(-c2nn(C3CCCC3)c(-c3cccc(OC)c3)c2Br)c1 ZINC000036611273 556507148 /nfs/dbraw/zinc/50/71/48/556507148.db2.gz KZMOZLBHJJXBNL-UHFFFAOYSA-N 0 0 427.342 6.112 40 0 IKABRN Cc1c(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3cnn(C)c3C)c2Cl)cnn1C ZINC000036611564 556507248 /nfs/dbraw/zinc/50/72/48/556507248.db2.gz STWCOUZSYRDHOK-UHFFFAOYSA-N 0 0 435.746 5.250 40 0 IKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000030847442 556507415 /nfs/dbraw/zinc/50/74/15/556507415.db2.gz MTOGWHQJDHDLQF-AREMUKBSSA-N 0 0 427.569 6.928 40 0 IKABRN CC(C)Oc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030848966 556508028 /nfs/dbraw/zinc/50/80/28/556508028.db2.gz IOJFKVHZIFTNCK-UHFFFAOYSA-N 0 0 444.940 5.180 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)c1 ZINC000030849319 556508386 /nfs/dbraw/zinc/50/83/86/556508386.db2.gz YLSCIXXPBLDXHZ-GOSISDBHSA-N 0 0 440.540 5.043 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)cc1 ZINC000030850005 556508440 /nfs/dbraw/zinc/50/84/40/556508440.db2.gz OXJJTHNCGZSKSM-HSZRJFAPSA-N 0 0 436.577 5.294 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2Cl)cc1 ZINC000030850293 556508644 /nfs/dbraw/zinc/50/86/44/556508644.db2.gz GLYKVOCBNCTMAD-UHFFFAOYSA-N 0 0 442.968 5.825 40 0 IKABRN CC(C)Oc1ccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000030850315 556508721 /nfs/dbraw/zinc/50/87/21/556508721.db2.gz NNFMOURHOSRXHW-UHFFFAOYSA-N 0 0 426.409 5.763 40 0 IKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 ZINC000013498218 556509099 /nfs/dbraw/zinc/50/90/99/556509099.db2.gz AUPRRYMASNKLOI-DEOSSOPVSA-N 0 0 436.577 5.021 40 0 IKABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498380 556509125 /nfs/dbraw/zinc/50/91/25/556509125.db2.gz CVNAXNNLEKWLGB-VWLOTQADSA-N 0 0 448.588 5.133 40 0 IKABRN O=C(NC1CCCCC1)[C@H](c1cccs1)N(CCc1ccccc1)C(=O)c1ccccn1 ZINC000013502061 556509905 /nfs/dbraw/zinc/50/99/05/556509905.db2.gz OIGPRJSVMSLLFU-DEOSSOPVSA-N 0 0 447.604 5.018 40 0 IKABRN COc1ccccc1C1=NN(c2ccc(Cl)c(Cl)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000015188060 556509875 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O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000030938713 556515588 /nfs/dbraw/zinc/51/55/88/556515588.db2.gz PMVLIBXKTDLGTQ-UHFFFAOYSA-N 0 0 432.178 6.151 40 0 IKABRN CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000030940213 556515930 /nfs/dbraw/zinc/51/59/30/556515930.db2.gz BXPBBSZYBHZIKL-UHFFFAOYSA-N 0 0 431.374 5.087 40 0 IKABRN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c12 ZINC000036616805 556516596 /nfs/dbraw/zinc/51/65/96/556516596.db2.gz NKHYGUWYRFUFEH-UHFFFAOYSA-N 0 0 427.838 5.775 40 0 IKABRN CCCCc1ccc(NC2=C[C@@](C)(C(=O)OCC)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000015304713 556517661 /nfs/dbraw/zinc/51/76/61/556517661.db2.gz MRCXKNINQHBTHB-NDEPHWFRSA-N 0 0 448.607 6.036 40 0 IKABRN Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc(Cl)cc4)cc23)cc1 ZINC000013564709 556518649 /nfs/dbraw/zinc/51/86/49/556518649.db2.gz HPJPHNWYFGNPNE-UHFFFAOYSA-N 0 0 440.934 5.955 40 0 IKABRN COc1ccc(/C=C\c2nc3ccccc3nc2OCc2c(Cl)cccc2Cl)cc1 ZINC000015321280 556520721 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CCc1ccc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3ccc(CC)cc3)C2)cc1 ZINC000016161775 556586237 /nfs/dbraw/zinc/58/62/37/556586237.db2.gz LXDWSADKYAPPFI-FGZHOGPDSA-N 0 0 436.600 5.561 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000016194573 556589554 /nfs/dbraw/zinc/58/95/54/556589554.db2.gz OFJYTZPIWQVIFF-ZHACJKMWSA-N 0 0 441.314 5.906 40 0 IKABRN COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016195472 556589841 /nfs/dbraw/zinc/58/98/41/556589841.db2.gz IBUHQSXXDUWKKF-UHFFFAOYSA-N 0 0 432.745 6.302 40 0 IKABRN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000016196065 556590404 /nfs/dbraw/zinc/59/04/04/556590404.db2.gz UPWXOTFLEQXKPM-LSCVHKIXSA-N 0 0 429.563 5.146 40 0 IKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000408970673 556590687 /nfs/dbraw/zinc/59/06/87/556590687.db2.gz JYBDDTTYNZJPCX-UHFFFAOYSA-N 0 0 434.923 5.623 40 0 IKABRN COc1ccc(O)c(C(=O)CCCCCCCCCCC(=O)c2cc(OC)ccc2O)c1 ZINC000016215252 556591655 /nfs/dbraw/zinc/59/16/55/556591655.db2.gz OGCARBSGBNKHKA-UHFFFAOYSA-N 0 0 442.552 6.082 40 0 IKABRN COc1cccc(CNCc2ccccc2Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016228259 556593476 /nfs/dbraw/zinc/59/34/76/556593476.db2.gz QVUZYONRHBXESF-UHFFFAOYSA-N 0 0 436.766 6.524 40 0 IKABRN Cc1c2ccccc2oc1C(=O)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000016266663 556595591 /nfs/dbraw/zinc/59/55/91/556595591.db2.gz TUOCQVFADJBOFW-UHFFFAOYSA-N 0 0 437.282 7.109 40 0 IKABRN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4cccc(F)c4)c3C)oc2c(C)c1 ZINC000016268819 556596070 /nfs/dbraw/zinc/59/60/70/556596070.db2.gz GWZNDDFQYCBCSM-UHFFFAOYSA-N 0 0 433.508 5.686 40 0 IKABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408971196 556596179 /nfs/dbraw/zinc/59/61/79/556596179.db2.gz DFSRMARSMGLOSV-UHFFFAOYSA-N 0 0 446.161 5.791 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)COc3ccc(C(C)C)cc3)nc2cc1Cl ZINC000016284245 556596974 /nfs/dbraw/zinc/59/69/74/556596974.db2.gz NFMILCROGKFTOF-UHFFFAOYSA-N 0 0 433.986 5.274 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)nc2cc1Cl ZINC000016284268 556597032 /nfs/dbraw/zinc/59/70/32/556597032.db2.gz BOTKKPVKFBNIEV-UHFFFAOYSA-N 0 0 430.769 5.692 40 0 IKABRN COc1cc(OC)cc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000016284387 556597194 /nfs/dbraw/zinc/59/71/94/556597194.db2.gz GMPJSXYMRNOIGG-UHFFFAOYSA-N 0 0 438.487 5.152 40 0 IKABRN Cc1ccc(C)c(NC(=O)NC[C@H]2C[C@H](CNC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 ZINC000016291019 556597628 /nfs/dbraw/zinc/59/76/28/556597628.db2.gz CQYUGFXDMAIPDA-NHCUHLMSSA-N 0 0 436.600 5.526 40 0 IKABRN COc1ccc(S[C@H](CC(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1OC ZINC000016291787 556597886 /nfs/dbraw/zinc/59/78/86/556597886.db2.gz OWZFSRXYHIANBC-XMMPIXPASA-N 0 0 426.965 6.772 40 0 IKABRN CC(C)Oc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000036561685 556598389 /nfs/dbraw/zinc/59/83/89/556598389.db2.gz IUNWHMUUIYJIMJ-UHFFFAOYSA-N 0 0 434.374 5.229 40 0 IKABRN c1ccc(S[C@@H]2CSc3nnc4c5ccccc5nc-4n3[C@@H]2c2ccccc2)cc1 ZINC000036625783 556598883 /nfs/dbraw/zinc/59/88/83/556598883.db2.gz FLYYGIVWJQLZTJ-IFMALSPDSA-N 0 0 426.570 5.787 40 0 IKABRN c1ccc(S[C@H]2CSc3nnc4c5ccccc5nc-4n3[C@H]2c2ccccc2)cc1 ZINC000036625786 556598907 /nfs/dbraw/zinc/59/89/07/556598907.db2.gz FLYYGIVWJQLZTJ-UNMCSNQZSA-N 0 0 426.570 5.787 40 0 IKABRN CC(C)(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)Nc4ccc(Cl)cc4)nc3C2)cc1 ZINC000016323183 556600605 /nfs/dbraw/zinc/60/06/05/556600605.db2.gz UEEQZBWQVMRCCF-INIZCTEOSA-N 0 0 448.954 5.984 40 0 IKABRN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)O2)cc1 ZINC000016323179 556600624 /nfs/dbraw/zinc/60/06/24/556600624.db2.gz DJICCFLRXCVCQE-JLPGSUDCSA-N 0 0 445.946 6.561 40 0 IKABRN O=C(C1CCN(C(=O)c2ccc(Cl)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000408972180 556601149 /nfs/dbraw/zinc/60/11/49/556601149.db2.gz NBYGHFGTGLXOCB-UHFFFAOYSA-N 0 0 446.978 5.421 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5cccnc5o4)cc3)o2)cc1Cl ZINC000016346895 556601521 /nfs/dbraw/zinc/60/15/21/556601521.db2.gz VTPLEOYJBGTBLH-UHFFFAOYSA-N 0 0 429.863 6.364 40 0 IKABRN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C ZINC000016347674 556601826 /nfs/dbraw/zinc/60/18/26/556601826.db2.gz GSHTUMFLEFGABT-UHFFFAOYSA-N 0 0 440.528 5.720 40 0 IKABRN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=S)NC(=O)CC(C)C ZINC000016347664 556601847 /nfs/dbraw/zinc/60/18/47/556601847.db2.gz XJSAEWHANQGEHX-UHFFFAOYSA-N 0 0 436.364 5.969 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=O)c4ccc(Br)o4)ccc3Cl)oc2c1 ZINC000016348504 556601852 /nfs/dbraw/zinc/60/18/52/556601852.db2.gz TWPYYFLOWMLHEF-UHFFFAOYSA-N 0 0 431.673 6.064 40 0 IKABRN Cc1cccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)c1 ZINC000016349920 556602057 /nfs/dbraw/zinc/60/20/57/556602057.db2.gz LAEKJNULEDHQMT-UHFFFAOYSA-N 0 0 427.291 5.053 40 0 IKABRN Cc1cccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1C ZINC000016362158 556602865 /nfs/dbraw/zinc/60/28/65/556602865.db2.gz USXPZPAQKQPWSF-UHFFFAOYSA-N 0 0 436.515 5.516 40 0 IKABRN Cc1cccc(NC(=O)Nc2cccc(Cl)c2)c1NC(=O)Nc1cccc(Cl)c1 ZINC000016362310 556603071 /nfs/dbraw/zinc/60/30/71/556603071.db2.gz HXPBZZRKFCREGM-UHFFFAOYSA-N 0 0 429.307 6.590 40 0 IKABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2cccc(Cl)c2)C1)Nc1cccc(Cl)c1 ZINC000016398973 556605004 /nfs/dbraw/zinc/60/50/04/556605004.db2.gz SDPJZNCQPMLYAT-HOTGVXAUSA-N 0 0 449.382 5.743 40 0 IKABRN C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000037613818 556605005 /nfs/dbraw/zinc/60/50/05/556605005.db2.gz DHPABJAAWYDUQJ-MZLPPYGWSA-N 0 0 427.931 5.973 40 0 IKABRN Brc1ccc(CSCCCSCc2ccc(Br)cc2)cc1 ZINC000016401861 556606100 /nfs/dbraw/zinc/60/61/00/556606100.db2.gz KIURGEWFIANEKY-UHFFFAOYSA-N 0 0 446.273 6.768 40 0 IKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc2c(Br)cccc12 ZINC000016431546 556607576 /nfs/dbraw/zinc/60/75/76/556607576.db2.gz ISLLSCGRZUXLGZ-UHFFFAOYSA-N 0 0 429.528 6.815 40 0 IKABRN O=C([O-])c1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000016450006 556609186 /nfs/dbraw/zinc/60/91/86/556609186.db2.gz XQVZDMNYCKPKBY-UHFFFAOYSA-N 0 0 444.300 5.155 40 0 IKABRN Nc1c(Br)cc(Br)cc1-c1nc2c([nH]1)c(Cl)ccc2Cl ZINC000073634783 556610274 /nfs/dbraw/zinc/61/02/74/556610274.db2.gz VZUMTPVUBPXAEV-UHFFFAOYSA-N 0 0 435.934 5.644 40 0 IKABRN O=C(NCc1ccccc1Cl)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000016476619 556610734 /nfs/dbraw/zinc/61/07/34/556610734.db2.gz QWFBOWIQWLGVNM-STZFKDTASA-N 0 0 425.315 5.081 40 0 IKABRN N=C1S[C@H](C(=O)c2ccccc2)[C@](Br)(c2ccccc2)N1c1ccccc1 ZINC000016476511 556610767 /nfs/dbraw/zinc/61/07/67/556610767.db2.gz AHUSPTPILYVXOB-IRLDBZIGSA-N 0 0 437.362 5.674 40 0 IKABRN O=C(C[C@@H](c1ccccc1)N(O)[C@@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000016477322 556610934 /nfs/dbraw/zinc/61/09/34/556610934.db2.gz DYHLOJFRBWLQOT-NSOVKSMOSA-N 0 0 449.550 6.706 40 0 IKABRN O=C(C[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000016477304 556610999 /nfs/dbraw/zinc/61/09/99/556610999.db2.gz FOJZLNSBARGTIK-XMMPIXPASA-N 0 0 439.386 6.130 40 0 IKABRN O=C(Nc1ccc(N(C(=O)NC2CCCCC2)c2ccccc2)cc1)NC1CCCCC1 ZINC000016487835 556611655 /nfs/dbraw/zinc/61/16/55/556611655.db2.gz DOQIPNFNZNRLCI-UHFFFAOYSA-N 0 0 434.584 6.321 40 0 IKABRN O=C(NCCN(C(=O)Nc1cccc(Cl)c1)c1ccccc1)Nc1cccc(Cl)c1 ZINC000016487784 556611701 /nfs/dbraw/zinc/61/17/01/556611701.db2.gz HPFJMOGFGREFHR-UHFFFAOYSA-N 0 0 443.334 5.854 40 0 IKABRN CC(=O)O[C@H]1C[C@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]12 ZINC000078567972 556612030 /nfs/dbraw/zinc/61/20/30/556612030.db2.gz MRVPOLGRRKLUQS-BODZLBJOSA-N 0 0 430.717 8.039 40 0 IKABRN CC(C)(C)NC(=O)[C@@H]1[C@H]2C[C@]3(Oc4ccc5ccccc5c42)N1c1ccccc1C3(C)C ZINC000038201530 556612341 /nfs/dbraw/zinc/61/23/41/556612341.db2.gz CRSMIGCCDJDVOE-MPQSRKKISA-N 0 0 426.560 5.497 40 0 IKABRN O=S(=O)(c1ccccc1)c1c(-c2ccccc2)c2ccccc2[n+]([O-])c1-c1ccccc1 ZINC000016492505 556612535 /nfs/dbraw/zinc/61/25/35/556612535.db2.gz WKPBFNWTIAOXTO-UHFFFAOYSA-N 0 0 437.520 5.640 40 0 IKABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(-c2ccccc2)cc1 ZINC000016493030 556612747 /nfs/dbraw/zinc/61/27/47/556612747.db2.gz ZPYQSBXJAWGWNB-UHFFFAOYSA-N 0 0 447.559 7.651 40 0 IKABRN Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1C ZINC000408973952 556613052 /nfs/dbraw/zinc/61/30/52/556613052.db2.gz RDZMNCYMZQYORL-SANMLTNESA-N 0 0 430.573 5.372 40 0 IKABRN O=c1oc2ccccc2cc1-c1csc(SCc2cc3c(cc2Cl)OCO3)n1 ZINC000016525686 556614351 /nfs/dbraw/zinc/61/43/51/556614351.db2.gz VCOFWQFCKQQNOJ-UHFFFAOYSA-N 0 0 429.906 5.591 40 0 IKABRN O=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O ZINC000016545846 556614602 /nfs/dbraw/zinc/61/46/02/556614602.db2.gz LSLULRPSLSVHTK-UHFFFAOYSA-N 0 0 442.474 6.046 40 0 IKABRN Cc1ccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000100945533 556615015 /nfs/dbraw/zinc/61/50/15/556615015.db2.gz CKHWGQAGHQQPTC-GSDHBNRESA-N 0 0 434.495 5.199 40 0 IKABRN O=C1O[C@H](c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CCc2ccccc21 ZINC000038601565 556615041 /nfs/dbraw/zinc/61/50/41/556615041.db2.gz QARHRYVEXSEWAF-FQKQOIFNSA-N 0 0 425.915 6.903 40 0 in-vitro IKABRN CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408975408 556615672 /nfs/dbraw/zinc/61/56/72/556615672.db2.gz JRHBQUHDESATBD-HMAPJEAMSA-N 0 0 447.918 5.971 40 0 IKABRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)cc1Br ZINC000016575726 556615807 /nfs/dbraw/zinc/61/58/07/556615807.db2.gz ZKKABGVKGAYAJD-IZZDOVSWSA-N 0 0 433.371 5.108 40 0 IKABRN C[C@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2nc1-c1ccccc1 ZINC000016576357 556616105 /nfs/dbraw/zinc/61/61/05/556616105.db2.gz NRYQQHUDNIYIOS-LJQANCHMSA-N 0 0 427.573 5.526 40 0 IKABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000038753875 556616731 /nfs/dbraw/zinc/61/67/31/556616731.db2.gz RTGGQKMBPDFJFY-DEOSSOPVSA-N 0 0 442.625 5.077 40 0 IKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1OC ZINC000038754501 556616911 /nfs/dbraw/zinc/61/69/11/556616911.db2.gz FVQFGVXRYKWWAA-SNVBAGLBSA-N 0 0 430.751 5.239 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)c(Cl)c2)cc1 ZINC000038754294 556616933 /nfs/dbraw/zinc/61/69/33/556616933.db2.gz MPJKYBQUPSMZTF-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4C)c3)nc2c1 ZINC000016610726 556617637 /nfs/dbraw/zinc/61/76/37/556617637.db2.gz LZMXQWAPVGBTGR-GOSISDBHSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4C)c3)nc2c1 ZINC000016610731 556617797 /nfs/dbraw/zinc/61/77/97/556617797.db2.gz KEOZSIJALRTYNJ-MRXNPFEDSA-N 0 0 448.950 6.988 40 0 IKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000016610829 556617799 /nfs/dbraw/zinc/61/77/99/556617799.db2.gz OUAGCOJMGMIIIM-OALUTQOASA-N 0 0 442.559 7.438 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Cl)c4Cl)c3)nc2c1 ZINC000016610911 556617822 /nfs/dbraw/zinc/61/78/22/556617822.db2.gz UXSWLCZAUJXCEU-AWEZNQCLSA-N 0 0 439.342 7.567 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4C)c3)nc2c1 ZINC000016610734 556617869 /nfs/dbraw/zinc/61/78/69/556617869.db2.gz KEOZSIJALRTYNJ-INIZCTEOSA-N 0 0 448.950 6.988 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C=Cc4ccco4)c3)nc2c1 ZINC000016610940 556618064 /nfs/dbraw/zinc/61/80/64/556618064.db2.gz UZXZGMDYRNUERH-TYZQSYOASA-N 0 0 445.544 6.128 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(C)c4)c3)nc2c1 ZINC000016611187 556618095 /nfs/dbraw/zinc/61/80/95/556618095.db2.gz BVWJUORHALDEAF-QGZVFWFLSA-N 0 0 443.572 6.444 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4)c3)nc2c1 ZINC000016611120 556618143 /nfs/dbraw/zinc/61/81/43/556618143.db2.gz GRTBWZMXGVYIQM-KRWDZBQOSA-N 0 0 443.572 6.444 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4)c3)nc2c1 ZINC000016611240 556618145 /nfs/dbraw/zinc/61/81/45/556618145.db2.gz AEGCNZKQQPOFFK-INIZCTEOSA-N 0 0 429.545 6.135 40 0 IKABRN Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000038756475 556618233 /nfs/dbraw/zinc/61/82/33/556618233.db2.gz MVNAPPMRUXPLOK-UHFFFAOYSA-N 0 0 430.617 5.611 40 0 IKABRN CCCCCC(=O)NC(=S)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000016637766 556619162 /nfs/dbraw/zinc/61/91/62/556619162.db2.gz FNKFMIADSAWXAW-UHFFFAOYSA-N 0 0 431.565 5.275 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000038772230 556619287 /nfs/dbraw/zinc/61/92/87/556619287.db2.gz ZOTQSRBTICZACK-RUZDIDTESA-N 0 0 448.613 5.825 40 0 IKABRN CCOc1ccc(CCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1OCC ZINC000038771681 556619318 /nfs/dbraw/zinc/61/93/18/556619318.db2.gz OLKZSJQWHVMCLG-UHFFFAOYSA-N 0 0 449.616 6.656 40 0 IKABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccccc1 ZINC000038772598 556619429 /nfs/dbraw/zinc/61/94/29/556619429.db2.gz FZSRNMGZBWYGEC-NRFANRHFSA-N 0 0 442.968 5.330 40 0 IKABRN COc1ccc(SCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1OC ZINC000038773023 556619446 /nfs/dbraw/zinc/61/94/46/556619446.db2.gz VPTCJNJKTJYSHI-UHFFFAOYSA-N 0 0 439.602 6.035 40 0 IKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 ZINC000016639349 556619733 /nfs/dbraw/zinc/61/97/33/556619733.db2.gz PBNXGYPDHMMLIL-UHFFFAOYSA-N 0 0 433.986 5.564 40 0 IKABRN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038834719 556622752 /nfs/dbraw/zinc/62/27/52/556622752.db2.gz USBNTOHYGQVKKU-UHFFFAOYSA-N 0 0 441.291 5.319 40 0 IKABRN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834715 556622787 /nfs/dbraw/zinc/62/27/87/556622787.db2.gz TXJSLHYGTYPOBI-UHFFFAOYSA-N 0 0 431.285 5.863 40 0 IKABRN CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038834599 556622826 /nfs/dbraw/zinc/62/28/26/556622826.db2.gz SYZJMUQWADGIGE-UHFFFAOYSA-N 0 0 435.351 5.021 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038835030 556623030 /nfs/dbraw/zinc/62/30/30/556623030.db2.gz VBMSVOSOJLQGGU-UHFFFAOYSA-N 0 0 442.184 5.607 40 0 IKABRN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 ZINC000016681537 556623842 /nfs/dbraw/zinc/62/38/42/556623842.db2.gz ONUXYCXGCXKVLN-UHFFFAOYSA-N 0 0 444.362 5.648 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849404 556624010 /nfs/dbraw/zinc/62/40/10/556624010.db2.gz HBAMBDYHLFKXKG-UHFFFAOYSA-N 0 0 427.759 5.506 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038849392 556624054 /nfs/dbraw/zinc/62/40/54/556624054.db2.gz XHPWJBOKMFNLFD-ZDUSSCGKSA-N 0 0 427.759 5.506 40 0 IKABRN O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849805 556624503 /nfs/dbraw/zinc/62/45/03/556624503.db2.gz MHSZOVBQQVVWJW-UHFFFAOYSA-N 0 0 431.285 5.863 40 0 IKABRN O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849804 556624515 /nfs/dbraw/zinc/62/45/15/556624515.db2.gz AHPPZAWNKLKFIE-UHFFFAOYSA-N 0 0 431.285 5.863 40 0 IKABRN CCOC(=O)C1=NN(c2ccccc2)[C@H](c2cccs2)N1c1ccc(Cl)c(Cl)c1 ZINC000016682602 556624523 /nfs/dbraw/zinc/62/45/23/556624523.db2.gz RXEQFBPHZMIJPQ-HXUWFJFHSA-N 0 0 446.359 5.957 40 0 IKABRN Cc1nccn1Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000038851790 556625004 /nfs/dbraw/zinc/62/50/04/556625004.db2.gz YXCFBYGOCVXRJQ-UHFFFAOYSA-N 0 0 434.392 5.210 40 0 IKABRN CCOc1ccc(O)c(C(=O)CCCCCCCCC(=O)c2cc(OCC)ccc2O)c1 ZINC000016689306 556627390 /nfs/dbraw/zinc/62/73/90/556627390.db2.gz VMAPWLCTPRVTII-UHFFFAOYSA-N 0 0 442.552 6.082 40 0 IKABRN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CSC(=O)N2c2ccccc2)cc1 ZINC000016712041 556630068 /nfs/dbraw/zinc/63/00/68/556630068.db2.gz GYYCHPLVFWVGCJ-RCZVLFRGSA-N 0 0 443.528 5.266 40 0 IKABRN CN(C(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)c1ccccc1 ZINC000408977243 556630054 /nfs/dbraw/zinc/63/00/54/556630054.db2.gz HVAKPFZGONBNQE-UHFFFAOYSA-N 0 0 448.555 5.587 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)ccc21 ZINC000039858283 556630100 /nfs/dbraw/zinc/63/01/00/556630100.db2.gz GDIMDQDVSGWCRQ-OAHLLOKOSA-N 0 0 437.337 5.983 40 0 IKABRN Clc1ccc(-c2csc3ncnc(SCc4ccc(Cl)c(Cl)c4)c23)cc1 ZINC000016713356 556630487 /nfs/dbraw/zinc/63/04/87/556630487.db2.gz UKKHYOPXZXOMMB-UHFFFAOYSA-N 0 0 437.804 7.611 40 0 IKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1cccc(F)c1 ZINC000016713343 556630495 /nfs/dbraw/zinc/63/04/95/556630495.db2.gz LLWMMBPLACKKQU-UHFFFAOYSA-N 0 0 429.929 5.882 40 0 IKABRN CCc1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n21 ZINC000039964001 556630963 /nfs/dbraw/zinc/63/09/63/556630963.db2.gz YLHSKGQWJLPHHJ-DEOSSOPVSA-N 0 0 438.531 5.024 40 0 IKABRN Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3C)n3c4ccccc4nc32)cc1 ZINC000039964002 556631138 /nfs/dbraw/zinc/63/11/38/556631138.db2.gz BHMAPFATEGQUDA-XMMPIXPASA-N 0 0 438.531 5.078 40 0 IKABRN COc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000408978411 556633596 /nfs/dbraw/zinc/63/35/96/556633596.db2.gz ZMQKWYHIUGHHNB-UHFFFAOYSA-N 0 0 431.495 6.225 40 0 IKABRN Cc1cc(C)c(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000101001550 556634587 /nfs/dbraw/zinc/63/45/87/556634587.db2.gz MCAJYCWBANOJCU-NHTMILBNSA-N 0 0 446.934 5.316 40 0 IKABRN COc1ccccc1NC(=O)c1nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1C ZINC000040385038 556635480 /nfs/dbraw/zinc/63/54/80/556635480.db2.gz GLQUHKMBQZXTDP-UHFFFAOYSA-N 0 0 435.915 5.137 40 0 IKABRN Cc1c(C(=O)Nc2ccccc2Cl)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn21 ZINC000040385052 556635728 /nfs/dbraw/zinc/63/57/28/556635728.db2.gz WDAKRDUTKKAABE-UHFFFAOYSA-N 0 0 440.334 5.782 40 0 IKABRN Cc1nc2nc(N3CCC(C)CC3)[nH]c(=O)c2c(=S)n1-c1ccc(Cl)c(Cl)c1 ZINC000040386885 556636185 /nfs/dbraw/zinc/63/61/85/556636185.db2.gz JMJZKRHZPKUVHY-UHFFFAOYSA-N 0 0 436.368 5.102 40 0 IKABRN Cc1sc2nc(SCC(=O)c3ccc(Cl)c(Cl)c3Cl)n(C)c(=O)c2c1C ZINC000016755689 556638972 /nfs/dbraw/zinc/63/89/72/556638972.db2.gz QRJDLTOYHMICKI-UHFFFAOYSA-N 0 0 447.796 5.547 40 0 IKABRN O=C(CSc1ncnc2sc3c(c21)CCCC3)c1ccc(Cl)c(Cl)c1Cl ZINC000016755623 556639101 /nfs/dbraw/zinc/63/91/01/556639101.db2.gz GNZCGHRMGYSMOH-UHFFFAOYSA-N 0 0 443.808 6.505 40 0 IKABRN CCOC(=O)C(C)(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC ZINC000016757515 556639184 /nfs/dbraw/zinc/63/91/84/556639184.db2.gz IAXKAFLULCLIHK-UHFFFAOYSA-N 0 0 447.560 5.530 40 0 IKABRN CCc1nn2c(ncc3c(=O)n(Cc4ccccc4Cl)ccc32)c1-c1ccc(F)cc1 ZINC000040396734 556639216 /nfs/dbraw/zinc/63/92/16/556639216.db2.gz KKYOCNFFINYOHF-UHFFFAOYSA-N 0 0 432.886 5.114 40 0 IKABRN O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1c[nH]c2ccccc12 ZINC000040397325 556639473 /nfs/dbraw/zinc/63/94/73/556639473.db2.gz NCDIKVDHJHXHSS-UHFFFAOYSA-N 0 0 439.906 5.089 40 0 IKABRN Fc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 ZINC000016757817 556639501 /nfs/dbraw/zinc/63/95/01/556639501.db2.gz PXJUPBWTXONTLB-UHFFFAOYSA-N 0 0 445.950 7.172 40 0 IKABRN CC[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757971 556639724 /nfs/dbraw/zinc/63/97/24/556639724.db2.gz WIHPLQVNCKYQRM-HNNXBMFYSA-N 0 0 438.394 6.741 40 0 IKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(CCO)Cc2ccccc2)cc1 ZINC000016768319 556640099 /nfs/dbraw/zinc/64/00/99/556640099.db2.gz GCFSLZJSFDGIEV-UHFFFAOYSA-N 0 0 434.543 5.395 40 0 IKABRN CC(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016768356 556640163 /nfs/dbraw/zinc/64/01/63/556640163.db2.gz ZBEDSQKWIFZLLE-UHFFFAOYSA-N 0 0 435.369 6.308 40 0 IKABRN COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O ZINC000016776841 556640418 /nfs/dbraw/zinc/64/04/18/556640418.db2.gz IMSZJOHLGYYQIU-LJQANCHMSA-N 0 0 445.950 5.462 40 0 IKABRN O=C(CCCSc1nc2c(c(C(F)(F)F)n1)CCCC2)NCc1ccccc1Cl ZINC000016778553 556640676 /nfs/dbraw/zinc/64/06/76/556640676.db2.gz YAOLGKCKQOMBTJ-UHFFFAOYSA-N 0 0 443.922 5.216 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(c2ccc(Cl)cc2)=Nc2ccccc2S1 ZINC000016779102 556640994 /nfs/dbraw/zinc/64/09/94/556640994.db2.gz XTPHKPKSMOMRRV-OAQYLSRUSA-N 0 0 427.356 6.617 40 0 IKABRN Cn1c(SCCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1 ZINC000016788678 556641649 /nfs/dbraw/zinc/64/16/49/556641649.db2.gz XVHYITRVAPCMMM-UHFFFAOYSA-N 0 0 444.585 5.794 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccc4)n3C)ccc21 ZINC000016788670 556641700 /nfs/dbraw/zinc/64/17/00/556641700.db2.gz LMRMTHDRPXWKMI-UHFFFAOYSA-N 0 0 441.560 5.341 40 0 IKABRN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000016788696 556641908 /nfs/dbraw/zinc/64/19/08/556641908.db2.gz SHYJDMXOSWWCBN-UHFFFAOYSA-N 0 0 444.343 5.868 40 0 IKABRN COc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000016788904 556641917 /nfs/dbraw/zinc/64/19/17/556641917.db2.gz JHPKEOGOQQBFOB-UHFFFAOYSA-N 0 0 447.951 5.765 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccccc2)cc1 ZINC000016788699 556641929 /nfs/dbraw/zinc/64/19/29/556641929.db2.gz PIOVUUNUWVHTQN-UHFFFAOYSA-N 0 0 432.524 5.421 40 0 IKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000016788720 556641940 /nfs/dbraw/zinc/64/19/40/556641940.db2.gz QBNHXSMNYVCGRE-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN Cc1cccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000016788963 556641967 /nfs/dbraw/zinc/64/19/67/556641967.db2.gz MKPVMRMDVIXWQC-UHFFFAOYSA-N 0 0 448.035 7.486 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccccc2)cc1 ZINC000016788706 556641982 /nfs/dbraw/zinc/64/19/82/556641982.db2.gz JABVZGUKFZTNPF-UHFFFAOYSA-N 0 0 428.561 5.590 40 0 IKABRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-c2ccccc2)cc1 ZINC000016789037 556642157 /nfs/dbraw/zinc/64/21/57/556642157.db2.gz NSLWGTDLFXMMTE-UHFFFAOYSA-N 0 0 444.560 5.291 40 0 IKABRN COc1ccc(C(=O)CSc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000016789310 556642170 /nfs/dbraw/zinc/64/21/70/556642170.db2.gz OOKIMHGHMDFACX-UHFFFAOYSA-N 0 0 445.544 5.138 40 0 IKABRN O=C(Nc1ccccc1)c1ccccc1S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000016805917 556643730 /nfs/dbraw/zinc/64/37/30/556643730.db2.gz SLILXNMJPQWWCE-FQEVSTJZSA-N 0 0 436.920 5.017 40 0 IKABRN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(NS(=O)(=O)c1ccccc1)c(C)c2C ZINC000016807634 556644492 /nfs/dbraw/zinc/64/44/92/556644492.db2.gz BXVDFEABQPTKRL-UHFFFAOYSA-N 0 0 446.572 5.868 40 0 IKABRN CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000214884220 556645021 /nfs/dbraw/zinc/64/50/21/556645021.db2.gz NQBYBVXBHYLNKS-KEBDBYFISA-N 0 0 445.371 6.766 40 0 IKABRN CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O ZINC000016902465 556648412 /nfs/dbraw/zinc/64/84/12/556648412.db2.gz YMCSKWXVNOOGND-GOSISDBHSA-N 0 0 439.987 5.663 40 0 IKABRN CCN(CCO)[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000016943323 556649642 /nfs/dbraw/zinc/64/96/42/556649642.db2.gz OUUMPQIDYVRUGJ-LJAQVGFWSA-N 0 0 435.567 6.259 40 0 IKABRN ClC1(Cl)C(Cl)(Cl)[C@@]2(c3ccccc3)O[C@]1(c1ccccc1)c1ccccc12 ZINC000016952852 556650087 /nfs/dbraw/zinc/65/00/87/556650087.db2.gz DCBAITJOIHSJDW-BGYRXZFFSA-N 0 0 436.165 6.565 40 0 IKABRN CC(C)c1ccc(C=C2CSCC3C2=NC(=S)N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000016958667 556650937 /nfs/dbraw/zinc/65/09/37/556650937.db2.gz VWMQARYYHFGNNJ-LYRGBEMXSA-N 0 0 434.674 6.537 40 0 IKABRN COc1cc2c(cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)CCCC2 ZINC000408979599 556652358 /nfs/dbraw/zinc/65/23/58/556652358.db2.gz NCXWPYWUTBCGEF-QHCPKHFHSA-N 0 0 428.532 5.074 40 0 IKABRN CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101068346 556653189 /nfs/dbraw/zinc/65/31/89/556653189.db2.gz IUTLYTNICBKNHE-SDHOMARFSA-N 0 0 440.543 5.031 40 0 IKABRN C/C=C/c1ccc(OCCOC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(OC)c1 ZINC000017041497 556653938 /nfs/dbraw/zinc/65/39/38/556653938.db2.gz SKTQSHDZMDDWHT-ONEGZZNKSA-N 0 0 429.822 6.028 40 0 IKABRN COc1ccc(N(C)C(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 ZINC000408980791 556654035 /nfs/dbraw/zinc/65/40/35/556654035.db2.gz XNPICLXCFSHLPG-UHFFFAOYSA-N 0 0 438.491 5.297 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000017086198 556657542 /nfs/dbraw/zinc/65/75/42/556657542.db2.gz MWOHXLLTVRMWKY-LPYMAVHISA-N 0 0 447.918 5.971 40 0 IKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000017095242 556658578 /nfs/dbraw/zinc/65/85/78/556658578.db2.gz IELRQVAMHWJIQE-UHFFFAOYSA-N 0 0 427.136 5.596 40 0 IKABRN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cccc2c(Cl)cccc12 ZINC000017095154 556658627 /nfs/dbraw/zinc/65/86/27/556658627.db2.gz YCYHKDIUBVVWJW-UHFFFAOYSA-N 0 0 426.859 5.546 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 ZINC000017096955 556660663 /nfs/dbraw/zinc/66/06/63/556660663.db2.gz USBBEZZHCUOMFD-MRXNPFEDSA-N 0 0 430.504 6.278 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)c(C)c1 ZINC000017097848 556662289 /nfs/dbraw/zinc/66/22/89/556662289.db2.gz BJGFHJNOSCEUDS-UHFFFAOYSA-N 0 0 432.348 6.059 40 0 IKABRN Cc1cc2nc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)oc2cc1C ZINC000017097842 556662307 /nfs/dbraw/zinc/66/23/07/556662307.db2.gz HERHXXUDQMOKCA-UHFFFAOYSA-N 0 0 432.348 6.059 40 0 IKABRN Cc1cc2nc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)oc2c(C)c1 ZINC000017097846 556662308 /nfs/dbraw/zinc/66/23/08/556662308.db2.gz SGZIQGGFNKMXEF-UHFFFAOYSA-N 0 0 432.348 6.059 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 ZINC000017098273 556663020 /nfs/dbraw/zinc/66/30/20/556663020.db2.gz FAUBDSPWXBDNFK-UHFFFAOYSA-N 0 0 432.955 6.286 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5ccccc5c4)cc3n2)cc1 ZINC000017098996 556664055 /nfs/dbraw/zinc/66/40/55/556664055.db2.gz ROKQJWDLAQFYMK-UHFFFAOYSA-N 0 0 434.543 6.477 40 0 IKABRN CCCOc1cccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000017100295 556665485 /nfs/dbraw/zinc/66/54/85/556665485.db2.gz QAWNCJIVQHEWJE-UHFFFAOYSA-N 0 0 436.515 5.923 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000017101079 556665877 /nfs/dbraw/zinc/66/58/77/556665877.db2.gz OLZGINLWCPHNDX-PKNBQFBNSA-N 0 0 437.282 5.446 40 0 IKABRN Cc1cc(NC(=S)NC(=O)c2ccccc2F)cc(-c2nc3ccccc3s2)c1O ZINC000017101449 556666088 /nfs/dbraw/zinc/66/60/88/556666088.db2.gz JNVHGCNBUUDLDX-UHFFFAOYSA-N 0 0 437.521 5.243 40 0 IKABRN COc1cccc(OC)c1C(=O)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000017102189 556666493 /nfs/dbraw/zinc/66/64/93/556666493.db2.gz ZZSNJXXWTZRLTF-UHFFFAOYSA-N 0 0 438.487 5.152 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000044838809 556668032 /nfs/dbraw/zinc/66/80/32/556668032.db2.gz NKBZQXGUNNXWOK-AREMUKBSSA-N 0 0 428.576 5.775 40 0 IKABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000044842411 556668682 /nfs/dbraw/zinc/66/86/82/556668682.db2.gz OLHSLORWHSTWER-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000044843808 556668816 /nfs/dbraw/zinc/66/88/16/556668816.db2.gz UNKKOUJWLOGGMI-AREMUKBSSA-N 0 0 433.617 6.813 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000044844656 556669089 /nfs/dbraw/zinc/66/90/89/556669089.db2.gz AMPNYCBNHLECTH-UHFFFAOYSA-N 0 0 432.756 5.695 40 0 IKABRN Cc1ccc([C@H](NC(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC000044844666 556669134 /nfs/dbraw/zinc/66/91/34/556669134.db2.gz GCVUNWQEQOVGMB-HSZRJFAPSA-N 0 0 430.400 6.441 40 0 IKABRN O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000044845094 556669457 /nfs/dbraw/zinc/66/94/57/556669457.db2.gz DVTWRAFLLDMMLD-UHFFFAOYSA-N 0 0 445.994 5.255 40 0 IKABRN O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000044846944 556669711 /nfs/dbraw/zinc/66/97/11/556669711.db2.gz HAMWTDVQNWQOMR-UHFFFAOYSA-N 0 0 428.724 6.240 40 0 IKABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000044850034 556670574 /nfs/dbraw/zinc/67/05/74/556670574.db2.gz MVJXIAKUIHEACH-UHFFFAOYSA-N 0 0 425.506 5.237 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1C ZINC000044856673 556672240 /nfs/dbraw/zinc/67/22/40/556672240.db2.gz ZHTGTJLSOFPEFX-QHCPKHFHSA-N 0 0 433.423 6.090 40 0 IKABRN O[C@@H](c1c(-c2ccccc2)oc(-c2ccccc2)c1[C@@H](O)c1ccccc1)c1ccccc1 ZINC000017193159 556672568 /nfs/dbraw/zinc/67/25/68/556672568.db2.gz JLPBSURDZWABLC-HNRBIFIRSA-N 0 0 432.519 6.777 40 0 IKABRN Cc1ccc(CSCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000044883403 556674689 /nfs/dbraw/zinc/67/46/89/556674689.db2.gz MEHYWBQXILKMLE-UHFFFAOYSA-N 0 0 437.630 5.829 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)cc2C)cc1 ZINC000044883334 556674717 /nfs/dbraw/zinc/67/47/17/556674717.db2.gz PTFLPJOSVGMDPT-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000044883759 556674803 /nfs/dbraw/zinc/67/48/03/556674803.db2.gz UOIOLBISKMCNCV-HHHXNRCGSA-N 0 0 442.603 6.165 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000044885448 556675261 /nfs/dbraw/zinc/67/52/61/556675261.db2.gz BNPWFNQGGRVNGD-VWLOTQADSA-N 0 0 437.967 6.445 40 0 IKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000044899672 556676437 /nfs/dbraw/zinc/67/64/37/556676437.db2.gz RAKWUNXURXXOQF-VWLOTQADSA-N 0 0 430.548 5.072 40 0 IKABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044901673 556677919 /nfs/dbraw/zinc/67/79/19/556677919.db2.gz DOMZQMZJOKYKCK-UHFFFAOYSA-N 0 0 449.359 5.066 40 0 IKABRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)ccc1Cl ZINC000044902126 556678127 /nfs/dbraw/zinc/67/81/27/556678127.db2.gz YTWWXSLANLZJFX-UHFFFAOYSA-N 0 0 431.897 5.110 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000044902788 556678523 /nfs/dbraw/zinc/67/85/23/556678523.db2.gz SMMSNLGEMCECIP-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906081 556679744 /nfs/dbraw/zinc/67/97/44/556679744.db2.gz BXTHCURROLJOFM-KRWDZBQOSA-N 0 0 447.450 6.380 40 0 IKABRN C[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906087 556679751 /nfs/dbraw/zinc/67/97/51/556679751.db2.gz OELIFZZXEIJUFJ-QGZVFWFLSA-N 0 0 447.450 6.380 40 0 IKABRN C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906077 556679787 /nfs/dbraw/zinc/67/97/87/556679787.db2.gz HNLWXFFPIXCAFF-KRWDZBQOSA-N 0 0 447.450 6.380 40 0 IKABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O ZINC000215054443 556679895 /nfs/dbraw/zinc/67/98/95/556679895.db2.gz LAKNFWSEZVJGNZ-ONDHQXCVSA-N 0 0 446.366 5.863 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044911475 556680936 /nfs/dbraw/zinc/68/09/36/556680936.db2.gz RCCNAYJTZCTUFA-UHFFFAOYSA-N 0 0 435.351 5.021 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044911472 556681020 /nfs/dbraw/zinc/68/10/20/556681020.db2.gz MBNKTOKIPFCIKM-UHFFFAOYSA-N 0 0 435.351 5.021 40 0 IKABRN CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044932227 556682093 /nfs/dbraw/zinc/68/20/93/556682093.db2.gz XWRGDRHEACHKLC-UHFFFAOYSA-N 0 0 435.395 5.309 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c(C)c1 ZINC000044934940 556682450 /nfs/dbraw/zinc/68/24/50/556682450.db2.gz SVPFACAFZDWIRB-SFHVURJKSA-N 0 0 429.402 5.155 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)cc1 ZINC000044936325 556682580 /nfs/dbraw/zinc/68/25/80/556682580.db2.gz FHKFVPZKNLDARY-JOCHJYFZSA-N 0 0 435.395 5.482 40 0 IKABRN CC(C)C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000044936865 556682667 /nfs/dbraw/zinc/68/26/67/556682667.db2.gz MUKFJJUBBCCMBJ-QHCPKHFHSA-N 0 0 433.423 6.109 40 0 IKABRN CC(C)C[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000044936876 556682695 /nfs/dbraw/zinc/68/26/95/556682695.db2.gz AACSPUKPGGYRBS-QHCPKHFHSA-N 0 0 433.423 6.109 40 0 IKABRN Cc1ccc([C@@H](NC(=O)c2ccc(I)cc2)c2ccccc2)cc1 ZINC000044948616 556684104 /nfs/dbraw/zinc/68/41/04/556684104.db2.gz IIJGSBXGYASTSD-FQEVSTJZSA-N 0 0 427.285 5.119 40 0 IKABRN CCOC(=O)c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Br)o1 ZINC000226359407 556684893 /nfs/dbraw/zinc/68/48/93/556684893.db2.gz VXOYJNSSXQLKHE-UHFFFAOYSA-N 0 0 442.025 5.667 40 0 IKABRN COC(=O)c1cn(C(=O)c2ccc(-c3ccc(F)cc3Br)o2)c2ccccc12 ZINC000226769512 556685390 /nfs/dbraw/zinc/68/53/90/556685390.db2.gz UJRCYFRPNDQHLI-UHFFFAOYSA-N 0 0 442.240 5.278 40 0 IKABRN O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000045221319 556685592 /nfs/dbraw/zinc/68/55/92/556685592.db2.gz AQYFYVSNLJVOJX-UHFFFAOYSA-N 0 0 439.987 5.363 40 0 IKABRN Cc1c(=O)c2ccc(Cl)cc2[nH]c1-c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000084652193 556687420 /nfs/dbraw/zinc/68/74/20/556687420.db2.gz GGVLPENGSGQOOU-UHFFFAOYSA-N 0 0 443.852 6.646 40 0 IKABRN CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408761199 556687833 /nfs/dbraw/zinc/68/78/33/556687833.db2.gz CILVPSYFNAWPLX-JCMHNJIXSA-N 0 0 441.483 5.266 40 0 IKABRN CSc1ccc(/C=C2/N=C(c3ccccc3)N(c3nc4ncccc4s3)C2=O)cc1 ZINC000001084591 556690172 /nfs/dbraw/zinc/69/01/72/556690172.db2.gz YRWTULFRSIBLPI-NBVRZTHBSA-N 0 0 428.542 5.248 40 0 IKABRN CCOc1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000136611397 556690575 /nfs/dbraw/zinc/69/05/75/556690575.db2.gz PLFDGEWUSRERIU-BFHHXVSESA-N 0 0 447.534 5.509 40 0 IKABRN CC(C)c1cc2nc(-c3ccc(Br)cc3Cl)oc2c(Br)c1 ZINC000073638120 556704716 /nfs/dbraw/zinc/70/47/16/556704716.db2.gz ATXZSGQRHKHQPO-UHFFFAOYSA-N 0 0 429.539 6.797 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1cccc(F)c1 ZINC000000778400 556692904 /nfs/dbraw/zinc/69/29/04/556692904.db2.gz VSIWUDJWWNZQHS-UHFFFAOYSA-N 0 0 446.887 5.140 40 0 IKABRN CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1 ZINC000000778513 556693151 /nfs/dbraw/zinc/69/31/51/556693151.db2.gz CZVHSWVOGDDVNF-UHFFFAOYSA-N 0 0 444.585 5.887 40 0 IKABRN COc1cccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)c1 ZINC000000783363 556694158 /nfs/dbraw/zinc/69/41/58/556694158.db2.gz USCIDZKVIWWDFL-UHFFFAOYSA-N 0 0 441.965 5.751 40 0 IKABRN CN(CCCNC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1Cl ZINC000019074961 556694929 /nfs/dbraw/zinc/69/49/29/556694929.db2.gz ISTBPXSCUWBGNY-UHFFFAOYSA-N 0 0 434.150 5.192 40 0 IKABRN CCOc1ccccc1C(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000790422 556695175 /nfs/dbraw/zinc/69/51/75/556695175.db2.gz YGBWZKUTINSBDF-UHFFFAOYSA-N 0 0 426.516 5.078 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)c1cccc(Cl)c1 ZINC000000800209 556695985 /nfs/dbraw/zinc/69/59/85/556695985.db2.gz QWSFSKXZZVIKCB-MRXNPFEDSA-N 0 0 430.879 5.097 40 0 IKABRN Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1C ZINC000000800056 556696555 /nfs/dbraw/zinc/69/65/55/556696555.db2.gz IXCGAGJWRZHKGJ-LJQANCHMSA-N 0 0 438.515 5.450 40 0 IKABRN CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019081850 556696740 /nfs/dbraw/zinc/69/67/40/556696740.db2.gz MPCQDPARAQSAHG-DYESRHJHSA-N 0 0 434.411 5.504 40 0 IKABRN COc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1Br ZINC000000818963 556699159 /nfs/dbraw/zinc/69/91/59/556699159.db2.gz UVTZSZQVGLJCLC-NRFANRHFSA-N 0 0 439.309 5.237 40 0 IKABRN CC(C)C(=O)N1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000019085610 556699361 /nfs/dbraw/zinc/69/93/61/556699361.db2.gz RZYDMPDIQGBXMA-YQQAZPJKSA-N 0 0 426.508 5.315 40 0 IKABRN Cc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000019117347 556700310 /nfs/dbraw/zinc/70/03/10/556700310.db2.gz RTUZCMYYJFBOFL-MUUNZHRXSA-N 0 0 433.511 6.111 40 0 IKABRN O=C(Nc1ccccc1)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000000837045 556700569 /nfs/dbraw/zinc/70/05/69/556700569.db2.gz WPTRPRGCLWVQGU-ZDUSSCGKSA-N 0 0 437.552 5.379 40 0 IKABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000000835342 556700674 /nfs/dbraw/zinc/70/06/74/556700674.db2.gz VEISKPCJTNKVCQ-UHFFFAOYSA-N 0 0 430.529 5.058 40 0 IKABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019121825 556701197 /nfs/dbraw/zinc/70/11/97/556701197.db2.gz NSXUIRRYRZKOIH-IBGZPJMESA-N 0 0 445.350 5.352 40 0 IKABRN Cc1ncsc1-c1nnc([C@H]2CCCCN2C(=O)CCCOc2ccc(C)cc2C)o1 ZINC000019132813 556704670 /nfs/dbraw/zinc/70/46/70/556704670.db2.gz WVVKOFCUHRHUPY-GOSISDBHSA-N 0 0 440.569 5.031 40 0 IKABRN Cc1ccc(-c2nc3c(o2)c(C)c(Br)c(N)c3Br)cc1Cl ZINC000073639523 556705813 /nfs/dbraw/zinc/70/58/13/556705813.db2.gz KIOSQVRJPWHYJN-UHFFFAOYSA-N 0 0 430.527 5.872 40 0 IKABRN Cc1c2oc(Cc3ccc(Cl)cc3)nc2c(Br)c(N)c1Br ZINC000073639366 556706014 /nfs/dbraw/zinc/70/60/14/556706014.db2.gz RLLHTHYSNNFQPD-UHFFFAOYSA-N 0 0 430.527 5.488 40 0 IKABRN Cc1c2oc(-c3ccc4ccccc4c3)nc2c(Br)c(N)c1Br ZINC000073639373 556706064 /nfs/dbraw/zinc/70/60/64/556706064.db2.gz LZDLLQVBUXUISW-UHFFFAOYSA-N 0 0 432.115 6.064 40 0 IKABRN CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2Cl)o1 ZINC000073638307 556706106 /nfs/dbraw/zinc/70/61/06/556706106.db2.gz IAVAGDKDCFYAFK-GQCTYLIASA-N 0 0 434.511 5.701 40 0 IKABRN Nc1c(Br)cc2nc(-c3ccccc3Br)oc2c1Br ZINC000073640065 556706184 /nfs/dbraw/zinc/70/61/84/556706184.db2.gz VIEVXCVSDDMGHF-UHFFFAOYSA-N 0 0 446.924 5.365 40 0 IKABRN CCc1c2oc(-c3ccccc3Cl)nc2c(Br)c(N)c1Br ZINC000073642733 556706878 /nfs/dbraw/zinc/70/68/78/556706878.db2.gz XMVVCIBWMMZWOD-UHFFFAOYSA-N 0 0 430.527 5.818 40 0 IKABRN CC(C)(C)c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(C(C)(C)C)c1O ZINC000019205112 556707881 /nfs/dbraw/zinc/70/78/81/556707881.db2.gz GRTBLHBMPIVDMZ-UHFFFAOYSA-N 0 0 435.611 8.383 40 0 IKABRN CCOC(=O)C1=C(c2ccccc2)NC(SCc2ccccc2)=N[C@@H]1c1ccccc1 ZINC000408993296 556709529 /nfs/dbraw/zinc/70/95/29/556709529.db2.gz WBLPRZQHJCKHFF-HSZRJFAPSA-N 0 0 428.557 5.595 40 0 IKABRN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000409002348 556711631 /nfs/dbraw/zinc/71/16/31/556711631.db2.gz 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0 IKABRN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccccc2OCc2cccc3ccccc32)C1=O ZINC000409099183 556795336 /nfs/dbraw/zinc/79/53/36/556795336.db2.gz SJXCSAIEZNRKPO-SITPEIFSSA-N 0 0 447.512 5.017 40 0 IKABRN CC(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1 ZINC000409099242 556795377 /nfs/dbraw/zinc/79/53/77/556795377.db2.gz KHYQZZKNBMRXFS-UHFFFAOYSA-N 0 0 435.380 5.639 40 0 IKABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccccc2OCc2cccc3ccccc32)C1=O ZINC000409099179 556795395 /nfs/dbraw/zinc/79/53/95/556795395.db2.gz SJXCSAIEZNRKPO-CAUNFOBBSA-N 0 0 447.512 5.017 40 0 IKABRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C ZINC000409101780 556795655 /nfs/dbraw/zinc/79/56/55/556795655.db2.gz RHGHXNFGBRHOLE-UHFFFAOYSA-N 0 0 428.989 5.602 40 0 IKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000409102270 556795966 /nfs/dbraw/zinc/79/59/66/556795966.db2.gz RLBBEMDHYPLMPR-OYKKKHCWSA-N 0 0 445.440 6.930 40 0 IKABRN COc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409103243 556796151 /nfs/dbraw/zinc/79/61/51/556796151.db2.gz XOKDVYWTKRVWRW-UHFFFAOYSA-N 0 0 435.980 6.321 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)c1ccccc1Cl ZINC000001380114 556796314 /nfs/dbraw/zinc/79/63/14/556796314.db2.gz IXFJVPIAWOLPJO-JOCHJYFZSA-N 0 0 440.902 5.519 40 0 IKABRN Cc1cccc(C)c1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000001380129 556796405 /nfs/dbraw/zinc/79/64/05/556796405.db2.gz XZZVJHFRIPRXPH-DEOSSOPVSA-N 0 0 434.511 5.482 40 0 IKABRN CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Br)c1OC ZINC000409100704 556796623 /nfs/dbraw/zinc/79/66/23/556796623.db2.gz RSTJRQXHSFXSKN-MLPAPPSSSA-N 0 0 442.231 5.368 40 0 IKABRN O=C1Nc2ccccc2S/C1=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409100237 556796722 /nfs/dbraw/zinc/79/67/22/556796722.db2.gz VPOPDNDEBUTWMM-MTJSOVHGSA-N 0 0 428.340 6.658 40 0 IKABRN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 ZINC000001381410 556796867 /nfs/dbraw/zinc/79/68/67/556796867.db2.gz PRBLCRNULIFVLR-UHFFFAOYSA-N 0 0 443.906 5.747 40 0 IKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2Cl)c1 ZINC000409101275 556797040 /nfs/dbraw/zinc/79/70/40/556797040.db2.gz XRCNNVRTBOWKPR-UHFFFAOYSA-N 0 0 435.980 5.991 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccccc1F ZINC000001382724 556797160 /nfs/dbraw/zinc/79/71/60/556797160.db2.gz RTPHTRMDGYAODS-QFIPXVFZSA-N 0 0 440.902 5.519 40 0 IKABRN O=C1Nc2ccccc2S/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000409104252 556797432 /nfs/dbraw/zinc/79/74/32/556797432.db2.gz CCFFPQUOKXSLKT-MYYYXRDXSA-N 0 0 443.955 7.158 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000409104622 556797832 /nfs/dbraw/zinc/79/78/32/556797832.db2.gz KGTPIHGGMDQQFQ-UHFFFAOYSA-N 0 0 448.979 5.551 40 0 IKABRN COc1c(Br)cc(/C=C2\Sc3ccccc3NC2=O)cc1Br ZINC000409105098 556797975 /nfs/dbraw/zinc/79/79/75/556797975.db2.gz JDOUHHZJKADBTD-ZSOIEALJSA-N 0 0 441.144 5.306 40 0 IKABRN Cc1cccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccncc2)c1 ZINC000409105608 556798302 /nfs/dbraw/zinc/79/83/02/556798302.db2.gz NJACHLQBGAPWAJ-UHFFFAOYSA-N 0 0 427.360 6.237 40 0 IKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)cc1 ZINC000409108325 556798970 /nfs/dbraw/zinc/79/89/70/556798970.db2.gz WAWMVYXHWORYMT-UHFFFAOYSA-N 0 0 437.568 6.312 40 0 IKABRN Cc1cccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)c1 ZINC000409108362 556799293 /nfs/dbraw/zinc/79/92/93/556799293.db2.gz WPUYCGXESJOKLS-UHFFFAOYSA-N 0 0 426.372 6.842 40 0 IKABRN CCCc1sc2nc(SCc3ccc(F)cc3)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000409109339 556799453 /nfs/dbraw/zinc/79/94/53/556799453.db2.gz BXDFJPJNVYIQOT-UHFFFAOYSA-N 0 0 438.593 6.448 40 0 IKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409109575 556799710 /nfs/dbraw/zinc/79/97/10/556799710.db2.gz HMYPBUYHBWWZIP-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN COc1ccc(-c2cc([C@H]3CCCCCN3Cc3coc4ccccc4c3=O)on2)cc1 ZINC000019558092 556800062 /nfs/dbraw/zinc/80/00/62/556800062.db2.gz URIOGFHDDSEQNZ-HSZRJFAPSA-N 0 0 430.504 5.574 40 0 IKABRN CCCc1sc2nc(SCc3ccc(C)cc3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C ZINC000409110488 556800709 /nfs/dbraw/zinc/80/07/09/556800709.db2.gz COEXOYNDBKZUQE-UHFFFAOYSA-N 0 0 448.657 6.926 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 ZINC000409108535 556801011 /nfs/dbraw/zinc/80/10/11/556801011.db2.gz WPTGGGFOMMWSHZ-UHFFFAOYSA-N 0 0 448.979 5.881 40 0 IKABRN COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000409110845 556801020 /nfs/dbraw/zinc/80/10/20/556801020.db2.gz AMAQFQQLVVRTES-UHFFFAOYSA-N 0 0 445.946 7.332 40 0 IKABRN Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)o1 ZINC000019559346 556801090 /nfs/dbraw/zinc/80/10/90/556801090.db2.gz BDVFEOSWCHWUAC-HNNXBMFYSA-N 0 0 449.477 5.018 40 0 IKABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000409108822 556801227 /nfs/dbraw/zinc/80/12/27/556801227.db2.gz WHRUOFOMCQNPGF-UHFFFAOYSA-N 0 0 437.352 5.012 40 0 IKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409111490 556801266 /nfs/dbraw/zinc/80/12/66/556801266.db2.gz IYFWOAJMQUVEJE-UHFFFAOYSA-N 0 0 445.990 7.700 40 0 IKABRN Fc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409108872 556801274 /nfs/dbraw/zinc/80/12/74/556801274.db2.gz YOMHSRIUZJUNJA-UHFFFAOYSA-N 0 0 430.335 6.673 40 0 IKABRN CCc1ccccc1NCc1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000409111569 556801434 /nfs/dbraw/zinc/80/14/34/556801434.db2.gz JJKSIUXFHHZKSV-UHFFFAOYSA-N 0 0 446.388 7.356 40 0 IKABRN CCCOc1c(Br)cc(Br)cc1CNc1ccc(OCC)cc1 ZINC000409111538 556801561 /nfs/dbraw/zinc/80/15/61/556801561.db2.gz COXGDBSOKWQHAA-UHFFFAOYSA-N 0 0 443.179 6.011 40 0 IKABRN CCCc1sc2nc(SCc3cccc(Cl)c3)n(-c3ccccc3)c(=O)c2c1C ZINC000409111222 556801792 /nfs/dbraw/zinc/80/17/92/556801792.db2.gz BNPVAMSABFKLDK-UHFFFAOYSA-N 0 0 441.021 6.654 40 0 IKABRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000409111268 556801838 /nfs/dbraw/zinc/80/18/38/556801838.db2.gz BCQKUMOTPGLHEC-UHFFFAOYSA-N 0 0 444.560 5.291 40 0 IKABRN Brc1ccc(COc2ccc(CNc3ccccc3)cc2Br)cc1 ZINC000409111980 556801944 /nfs/dbraw/zinc/80/19/44/556801944.db2.gz ADIYFTLJOJTLCZ-UHFFFAOYSA-N 0 0 447.170 6.403 40 0 IKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)c1C ZINC000409111976 556802079 /nfs/dbraw/zinc/80/20/79/556802079.db2.gz ACVAKBKHIITYKD-UHFFFAOYSA-N 0 0 436.382 7.955 40 0 IKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c2ccccc21 ZINC000409112025 556802084 /nfs/dbraw/zinc/80/20/84/556802084.db2.gz BKTROKCXKQDJME-STZFKDTASA-N 0 0 438.354 6.870 40 0 IKABRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2CNc2cccc(C)c2)cc1 ZINC000409111401 556802091 /nfs/dbraw/zinc/80/20/91/556802091.db2.gz AJKREWSTWCIURG-UHFFFAOYSA-N 0 0 446.366 5.446 40 0 IKABRN COc1ccc(CC(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cc1OC ZINC000019560485 556802093 /nfs/dbraw/zinc/80/20/93/556802093.db2.gz UJSQOQDBCVAIQJ-NRFANRHFSA-N 0 0 438.499 5.184 40 0 IKABRN CCCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1Br ZINC000409111843 556802351 /nfs/dbraw/zinc/80/23/51/556802351.db2.gz DGJBUZRPZTXZCC-UHFFFAOYSA-N 0 0 427.180 6.229 40 0 IKABRN COc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000014944198 556802357 /nfs/dbraw/zinc/80/23/57/556802357.db2.gz RLDILVGEUGHFDG-UHFFFAOYSA-N 0 0 440.286 5.971 40 0 IKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409112496 556802518 /nfs/dbraw/zinc/80/25/18/556802518.db2.gz DJVFMXIRARAMMJ-UHFFFAOYSA-N 0 0 426.354 6.347 40 0 IKABRN COc1c(Cl)cc(Cl)cc1[C@H](c1c[nH]c2ccccc21)C1C(=O)OC(C)(C)OC1=O ZINC000409112344 556802630 /nfs/dbraw/zinc/80/26/30/556802630.db2.gz CEYBCRVTQXNRAI-QGZVFWFLSA-N 0 0 448.302 5.068 40 0 IKABRN CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409112569 556802944 /nfs/dbraw/zinc/80/29/44/556802944.db2.gz FATJDSJPWVGTIH-UHFFFAOYSA-N 0 0 430.375 7.200 40 0 IKABRN CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)c2ccccc21 ZINC000409112757 556803084 /nfs/dbraw/zinc/80/30/84/556803084.db2.gz CTYULGXXYARYKU-XKZIYDEJSA-N 0 0 435.926 6.601 40 0 IKABRN Cc1cc(C)c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000409112934 556803284 /nfs/dbraw/zinc/80/32/84/556803284.db2.gz CTACMFCGFDOFOD-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)cc1C ZINC000409112909 556803378 /nfs/dbraw/zinc/80/33/78/556803378.db2.gz GYMQOZRPSZMZMY-UHFFFAOYSA-N 0 0 436.382 7.955 40 0 IKABRN Cc1ccccc1NCc1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000409113422 556803674 /nfs/dbraw/zinc/80/36/74/556803674.db2.gz ATVQWLIVESSTTP-UHFFFAOYSA-N 0 0 432.361 7.102 40 0 IKABRN CCc1ccc(NCc2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000409114153 556804469 /nfs/dbraw/zinc/80/44/69/556804469.db2.gz CSFGUQATCVFHLM-UHFFFAOYSA-N 0 0 444.344 6.350 40 0 IKABRN COc1ccc2cc(C(=O)N3CCC[C@@H](c4cc5nc(C(F)(F)F)ccc5[nH]4)C3)[nH]c2c1 ZINC000019563770 556804542 /nfs/dbraw/zinc/80/45/42/556804542.db2.gz WCSUWSHTFZLUKO-CQSZACIVSA-N 0 0 442.441 5.091 40 0 IKABRN COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccccc1F ZINC000409113858 556804678 /nfs/dbraw/zinc/80/46/78/556804678.db2.gz OHZXIBQTZIMRET-UHFFFAOYSA-N 0 0 430.317 6.096 40 0 IKABRN CCOc1cc(CNc2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409114736 556805400 /nfs/dbraw/zinc/80/54/00/556805400.db2.gz PYYMQZXCHCVQSI-UHFFFAOYSA-N 0 0 425.550 5.390 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000409114837 556805543 /nfs/dbraw/zinc/80/55/43/556805543.db2.gz QNOYKWGSEZUCLX-BQUCVHFLSA-N 0 0 426.560 6.127 40 0 IKABRN Cc1cccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc32)c1 ZINC000409115298 556806005 /nfs/dbraw/zinc/80/60/05/556806005.db2.gz INGRDEYWAZOWBM-UHFFFAOYSA-N 0 0 432.361 7.102 40 0 IKABRN Cc1ccc(Cl)cc1NCc1cc(Br)ccc1OCc1ccccc1F ZINC000409115353 556807043 /nfs/dbraw/zinc/80/70/43/556807043.db2.gz RJOONELWGRYVQF-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN COc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409115510 556807087 /nfs/dbraw/zinc/80/70/87/556807087.db2.gz MOXDMSJLUVGSBU-UHFFFAOYSA-N 0 0 444.344 6.405 40 0 IKABRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2CNc2ccccc2)cc1 ZINC000409115523 556807141 /nfs/dbraw/zinc/80/71/41/556807141.db2.gz JLHWXSNIROTSKC-UHFFFAOYSA-N 0 0 432.339 5.137 40 0 IKABRN CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409116955 556809032 /nfs/dbraw/zinc/80/90/32/556809032.db2.gz MRCXJBASSLZNES-UHFFFAOYSA-N 0 0 445.990 7.700 40 0 IKABRN CCCOc1c(I)cc(CNc2cccc(C)c2)cc1OCC ZINC000409116989 556809419 /nfs/dbraw/zinc/80/94/19/556809419.db2.gz KIOZKKDYFSUWBH-UHFFFAOYSA-N 0 0 425.310 5.399 40 0 IKABRN CCCOc1c(I)cc(CNc2cccc(C)c2C)cc1OC ZINC000409117221 556809448 /nfs/dbraw/zinc/80/94/48/556809448.db2.gz LCYAVZKKWUULHE-UHFFFAOYSA-N 0 0 425.310 5.318 40 0 IKABRN CC(C)CN1c2ccccc2/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000409117222 556809495 /nfs/dbraw/zinc/80/94/95/556809495.db2.gz QOOYSGXJKBKFHZ-VEILYXNESA-N 0 0 433.551 6.962 40 0 IKABRN COc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409117236 556809519 /nfs/dbraw/zinc/80/95/19/556809519.db2.gz QQABWFBZDHCOCA-UHFFFAOYSA-N 0 0 432.745 6.302 40 0 IKABRN O=C(Nc1ccc(Br)cc1F)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000061431190 556809871 /nfs/dbraw/zinc/80/98/71/556809871.db2.gz NPLIYPRFFQICPH-UHFFFAOYSA-N 0 0 437.268 6.163 40 0 IKABRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)c2ccccc21 ZINC000409117529 556809958 /nfs/dbraw/zinc/80/99/58/556809958.db2.gz OHJFXFVQRTZSOV-LGMDPLHJSA-N 0 0 431.841 6.916 40 0 IKABRN COc1ccccc1C[N@@H+]1CCC[C@@](Cc2ccccc2-c2ccccc2OC)(C(=O)[O-])C1 ZINC000019570192 556810124 /nfs/dbraw/zinc/81/01/24/556810124.db2.gz WZELOOSITYWRTI-NDEPHWFRSA-N 0 0 445.559 5.280 40 0 IKABRN CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409117733 556810138 /nfs/dbraw/zinc/81/01/38/556810138.db2.gz MLJBWMIGCYIGSR-UHFFFAOYSA-N 0 0 445.990 7.645 40 0 IKABRN CCOc1cc(CNc2ccc(CC)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409117782 556810151 /nfs/dbraw/zinc/81/01/51/556810151.db2.gz MXSCFNQBODRRSR-UHFFFAOYSA-N 0 0 440.381 6.601 40 0 IKABRN CCc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409117908 556810161 /nfs/dbraw/zinc/81/01/61/556810161.db2.gz MCMZOGDZOUXFFP-UHFFFAOYSA-N 0 0 436.382 7.900 40 0 IKABRN CCCOc1c(Br)cc(CNc2cccc(C)c2C)cc1Br ZINC000409118215 556811771 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CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000408789779 556856146 /nfs/dbraw/zinc/85/61/46/556856146.db2.gz LHDCJHMQTXXHAW-UHFFFAOYSA-N 0 0 438.593 5.395 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)S2)cc1 ZINC000408786228 556856400 /nfs/dbraw/zinc/85/64/00/556856400.db2.gz HJHSYCRJPBKRBK-GTWFGUSFSA-N 0 0 430.573 5.736 40 0 IKABRN O=C1S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1c1ccccc1 ZINC000408808400 556861573 /nfs/dbraw/zinc/86/15/73/556861573.db2.gz GGBFSLRSIHVMTP-UCQKPKSFSA-N 0 0 444.943 6.584 40 0 IKABRN COc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)ccc1OCc1ccccc1 ZINC000408810159 556862128 /nfs/dbraw/zinc/86/21/28/556862128.db2.gz LPVKKLPRTKSSCC-UHFFFAOYSA-N 0 0 435.500 5.176 40 0 IKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 ZINC000408812052 556862761 /nfs/dbraw/zinc/86/27/61/556862761.db2.gz LBJSJJDBQQKURP-UHFFFAOYSA-N 0 0 434.928 5.746 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408816096 556863715 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O=C1/C(=C\c2ccncc2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1 ZINC000408840167 556867203 /nfs/dbraw/zinc/86/72/03/556867203.db2.gz BQPARWXUXYXOQR-CPNJWEJPSA-N 0 0 438.712 5.332 40 0 IKABRN Cc1ccc2c(Cl)c(C3=N/C(=C/c4cccc(Br)c4)C(=O)O3)sc2c1 ZINC000408839652 556867247 /nfs/dbraw/zinc/86/72/47/556867247.db2.gz VEWXLXLNUXOYJC-NTEUORMPSA-N 0 0 432.726 5.970 40 0 IKABRN O=C(Oc1ccc2oc(=O)sc2c1)c1sc2cc(Br)ccc2c1Cl ZINC000408840415 556867294 /nfs/dbraw/zinc/86/72/94/556867294.db2.gz YOOOMCJLSRKAGR-UHFFFAOYSA-N 0 0 441.711 5.704 40 0 IKABRN Cc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408841268 556867376 /nfs/dbraw/zinc/86/73/76/556867376.db2.gz FBVWPBRSECPCBJ-UHFFFAOYSA-N 0 0 439.298 5.202 40 0 IKABRN Cc1cccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2sc3ccccc3c2Cl)c1 ZINC000408841858 556867762 /nfs/dbraw/zinc/86/77/62/556867762.db2.gz ICYBELLDUVCAKE-XMHGGMMESA-N 0 0 429.932 6.093 40 0 IKABRN CCOc1cc(/C=C2/N=C(Cc3ccccc3)OC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408842938 556868048 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IKABRN Cc1cc2c(nc3s/c(=C\c4ccc(-c5cc(Cl)cc(Cl)c5)o4)c(=O)n23)c(C)c1 ZINC000408977884 556907000 /nfs/dbraw/zinc/90/70/00/556907000.db2.gz YRVSVAYSSHPXQT-GRSHGNNSSA-N 0 0 441.339 5.641 40 0 IKABRN O=C(Nc1ccccc1Cl)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408978224 556907043 /nfs/dbraw/zinc/90/70/43/556907043.db2.gz LLWSAHFPVJZSEC-UHFFFAOYSA-N 0 0 447.972 6.993 40 0 IKABRN O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)Nc1cccc2ccccc21 ZINC000408977863 556907114 /nfs/dbraw/zinc/90/71/14/556907114.db2.gz KICHSQRDQWIZJO-UHFFFAOYSA-N 0 0 444.498 6.417 40 0 IKABRN S=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCOCC1 ZINC000408979081 556908437 /nfs/dbraw/zinc/90/84/37/556908437.db2.gz LCVVBEOJZVZYAU-UHFFFAOYSA-N 0 0 438.603 5.116 40 0 IKABRN Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2cccc(C)c2Cl)c2ccccc2)cc1 ZINC000408978614 556908493 /nfs/dbraw/zinc/90/84/93/556908493.db2.gz JKPLDLUGARHQAK-NRFANRHFSA-N 0 0 442.968 5.005 40 0 IKABRN Cc1sc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)nc1-c1ccccc1 ZINC000408979018 556908499 /nfs/dbraw/zinc/90/84/99/556908499.db2.gz KVACTXCMDGPVLK-JOCHJYFZSA-N 0 0 441.556 5.618 40 0 IKABRN COc1ccc(N(C)C(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 ZINC000408978901 556908534 /nfs/dbraw/zinc/90/85/34/556908534.db2.gz OIEPUIRAEILUPH-UHFFFAOYSA-N 0 0 447.498 5.039 40 0 IKABRN Cc1ccc(-c2csc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 ZINC000408979720 556908727 /nfs/dbraw/zinc/90/87/27/556908727.db2.gz OFGHXMNBUXQZLP-JOCHJYFZSA-N 0 0 441.556 5.618 40 0 IKABRN Cc1nc([C@H]2CCCCN2Cc2ccc(-c3ccc(F)cc3)cc2)ncc1C(=O)N(C)C ZINC000019764577 556908998 /nfs/dbraw/zinc/90/89/98/556908998.db2.gz JUXCVJUTWFYDBB-XMMPIXPASA-N 0 0 432.543 5.020 40 0 IKABRN Cc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000408985371 556909076 /nfs/dbraw/zinc/90/90/76/556909076.db2.gz LPXNOIUJABQUJX-QFIPXVFZSA-N 0 0 449.595 5.562 40 0 IKABRN COc1c(C)cccc1CN1CCCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000019765056 556909706 /nfs/dbraw/zinc/90/97/06/556909706.db2.gz CYXROQIVXVZGIP-QHCPKHFHSA-N 0 0 448.542 5.221 40 0 IKABRN O=c1[nH]c(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2sc3c(c21)CCCCCC3 ZINC000408989374 556910744 /nfs/dbraw/zinc/91/07/44/556910744.db2.gz KMFAAFWXRFPNEB-UHFFFAOYSA-N 0 0 445.371 7.290 40 0 IKABRN Cc1cc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1Br ZINC000408995229 556912128 /nfs/dbraw/zinc/91/21/28/556912128.db2.gz AZOUMUWTORBNAW-QHCPKHFHSA-N 0 0 449.392 6.826 40 0 IKABRN Cc1cc2nc(C3CCN(C(=O)c4csc5c4CCCC5)CC3)cc(C(F)(F)F)n2n1 ZINC000072340820 556912486 /nfs/dbraw/zinc/91/24/86/556912486.db2.gz GDRFEWBGNCGMLL-UHFFFAOYSA-N 0 0 448.514 5.017 40 0 IKABRN CC(C)(C)c1cc2nc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)cc(C(F)(F)F)n2n1 ZINC000072341092 556913450 /nfs/dbraw/zinc/91/34/50/556913450.db2.gz DIMZKUNJWVMYLH-HNNXBMFYSA-N 0 0 448.464 5.205 40 0 IKABRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C(=O)O1 ZINC000409003102 556913635 /nfs/dbraw/zinc/91/36/35/556913635.db2.gz DIPPLZLSXJDIDN-XKZIYDEJSA-N 0 0 433.891 5.581 40 0 IKABRN O=C(CCn1ncc2ccccc21)N1CCC(c2[nH]c3ccccc3c2-c2ccncc2)CC1 ZINC000072342175 556914640 /nfs/dbraw/zinc/91/46/40/556914640.db2.gz GRIUFDNRQYUCBI-UHFFFAOYSA-N 0 0 449.558 5.376 40 0 IKABRN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)o1 ZINC000409004959 556915573 /nfs/dbraw/zinc/91/55/73/556915573.db2.gz CNBRJIFEBMQKEA-XUJVJEKNSA-N 0 0 444.384 5.303 40 0 IKABRN Cc1cc(Br)c(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1C ZINC000409005121 556915675 /nfs/dbraw/zinc/91/56/75/556915675.db2.gz ZHOKVOGSYOCOJP-IBGZPJMESA-N 0 0 447.373 5.140 40 0 IKABRN O=C1S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1CCc1ccccc1 ZINC000409006467 556916274 /nfs/dbraw/zinc/91/62/74/556916274.db2.gz JRXKGNGZIRFIQR-KQWNVCNZSA-N 0 0 433.504 5.684 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1 ZINC000409006771 556916337 /nfs/dbraw/zinc/91/63/37/556916337.db2.gz LKMFWUFNDZRLNO-LBPRGKRZSA-N 0 0 438.336 5.556 40 0 IKABRN Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000409007378 556916441 /nfs/dbraw/zinc/91/64/41/556916441.db2.gz PSJOXPWOLYJVFZ-ULJHMMPZSA-N 0 0 429.541 5.853 40 0 IKABRN O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1ccc2ccccc2c1 ZINC000409007086 556916460 /nfs/dbraw/zinc/91/64/60/556916460.db2.gz NMBFYXVHNNFQCH-UHFFFAOYSA-N 0 0 445.544 5.411 40 0 IKABRN CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)CC2CCCCC2)CC1 ZINC000072345127 556916612 /nfs/dbraw/zinc/91/66/12/556916612.db2.gz RHVCWVWIBSQVMX-UHFFFAOYSA-N 0 0 446.635 5.530 40 0 IKABRN CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1 ZINC000409009199 556917409 /nfs/dbraw/zinc/91/74/09/556917409.db2.gz ZIZHCQNELSOEBP-HAHDFKILSA-N 0 0 433.891 5.662 40 0 IKABRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)CC3CCCC3)C2)n1 ZINC000072346110 556917489 /nfs/dbraw/zinc/91/74/89/556917489.db2.gz WEAVMGLIRPCYQF-QGZVFWFLSA-N 0 0 432.490 5.031 40 0 IKABRN CC[C@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OC ZINC000409010109 556917736 /nfs/dbraw/zinc/91/77/36/556917736.db2.gz DJGJVWYWKOYTCY-ATARQRRYSA-N 0 0 442.375 5.470 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ZINC000072349436 556919563 /nfs/dbraw/zinc/91/95/63/556919563.db2.gz CWOLDXXXEIWSKM-LJQANCHMSA-N 0 0 425.454 5.111 40 0 IKABRN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000072349664 556919761 /nfs/dbraw/zinc/91/97/61/556919761.db2.gz BYDLUTWYNSWLJC-LJQANCHMSA-N 0 0 425.532 5.187 40 0 IKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(Sc3ccccc3)o2)C1=O ZINC000409018483 556919844 /nfs/dbraw/zinc/91/98/44/556919844.db2.gz WZZDQXJWSJDCLO-HGLKBHAMSA-N 0 0 438.368 6.028 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCC(c3cccc(Cc4ccccc4Cl)n3)CC2)cc1 ZINC000072349879 556919953 /nfs/dbraw/zinc/91/99/53/556919953.db2.gz MVKTUWIHNDRCIR-UHFFFAOYSA-N 0 0 447.966 5.304 40 0 IKABRN O=C1C[C@H](c2ccco2)Cc2c1c(Nc1cc(Cl)cc(Cl)c1)nn2-c1ccccc1 ZINC000019817303 556919993 /nfs/dbraw/zinc/91/99/93/556919993.db2.gz LRPXOXSUTAFYAN-CQSZACIVSA-N 0 0 438.314 6.428 40 0 IKABRN Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072350226 556920358 /nfs/dbraw/zinc/92/03/58/556920358.db2.gz 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40 0 IKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccc(F)c2)c2ccccc12 ZINC000409031372 556927211 /nfs/dbraw/zinc/92/72/11/556927211.db2.gz AVQJSVIFEURCCZ-IWIPYMOSSA-N 0 0 441.531 5.433 40 0 IKABRN CCOc1cc(C)c(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1C(C)C ZINC000409029739 556927633 /nfs/dbraw/zinc/92/76/33/556927633.db2.gz AVGOVEDPRKZVKW-HAHDFKILSA-N 0 0 439.577 5.941 40 0 IKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409037953 556927697 /nfs/dbraw/zinc/92/76/97/556927697.db2.gz VABNFFGHBUURDL-JCMHNJIXSA-N 0 0 434.948 5.523 40 0 IKABRN CNc1nc(C)c(C(=O)N2CCC[C@H](c3cc(Cc4cccc(C)c4)cc(C)n3)C2)s1 ZINC000072354109 556929098 /nfs/dbraw/zinc/92/90/98/556929098.db2.gz DGVGRXZKKALAAE-NRFANRHFSA-N 0 0 434.609 5.116 40 0 IKABRN COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cc1 ZINC000072354142 556929129 /nfs/dbraw/zinc/92/91/29/556929129.db2.gz VIRGMRFZXMQWQM-XMMPIXPASA-N 0 0 432.539 5.286 40 0 IKABRN CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N(C)C1=S 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O=C(Cc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358641 556931869 /nfs/dbraw/zinc/93/18/69/556931869.db2.gz NRDDWJIJROVXOC-IBGZPJMESA-N 0 0 425.454 5.111 40 0 IKABRN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358975 556932108 /nfs/dbraw/zinc/93/21/08/556932108.db2.gz ISLBWJCTKLBAEW-SFHVURJKSA-N 0 0 430.939 5.227 40 0 IKABRN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359352 556932461 /nfs/dbraw/zinc/93/24/61/556932461.db2.gz KSZNXYGQAXXNJG-QGZVFWFLSA-N 0 0 429.417 5.321 40 0 IKABRN O=C(CCc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359470 556932477 /nfs/dbraw/zinc/93/24/77/556932477.db2.gz CJZZIBVHAZCTMV-HXUWFJFHSA-N 0 0 439.481 5.501 40 0 IKABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000072359568 556932520 /nfs/dbraw/zinc/93/25/20/556932520.db2.gz VFARTXMIJYMDKX-HXUWFJFHSA-N 0 0 435.955 5.144 40 0 IKABRN COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(Br)cc3)sc1CC2 ZINC000409050846 556932752 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446.572 5.553 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2cc(Br)c(OCC)c(OCC)c2)C1=O ZINC000409058418 556935455 /nfs/dbraw/zinc/93/54/55/556935455.db2.gz XRQYZEWVKJJNLX-PTNGSMBKSA-N 0 0 428.348 5.083 40 0 IKABRN CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCc1ccc(F)cc1 ZINC000072370802 556936825 /nfs/dbraw/zinc/93/68/25/556936825.db2.gz KYMYHMPGKSBLJY-FQEVSTJZSA-N 0 0 438.568 5.304 40 0 IKABRN Cc1ccc(COc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)cc2Br)cc1 ZINC000409060326 556937322 /nfs/dbraw/zinc/93/73/22/556937322.db2.gz PVSNXRDZGRSLTJ-ODLFYWEKSA-N 0 0 446.366 5.781 40 0 IKABRN COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000409054183 556938129 /nfs/dbraw/zinc/93/81/29/556938129.db2.gz HXLOHWUBSPICSZ-HMAPJEAMSA-N 0 0 435.476 5.654 40 0 IKABRN O=C(c1ccc2c(c1)CCCC2)N1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371612 556939785 /nfs/dbraw/zinc/93/97/85/556939785.db2.gz RRCJLJRHAYZUNZ-NRFANRHFSA-N 0 0 449.982 5.193 40 0 IKABRN O=C(c1ccc2c(c1)CCCC2)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371611 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IKABRN O=C1NC(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409173089 556984338 /nfs/dbraw/zinc/98/43/38/556984338.db2.gz JFOGGTGMQDACMZ-LICLKQGHSA-N 0 0 433.678 6.004 40 0 IKABRN CCCOc1c(I)cc(CNc2ccccc2Cl)cc1OC ZINC000409173918 556984782 /nfs/dbraw/zinc/98/47/82/556984782.db2.gz PHCMYFQVJHZDQT-UHFFFAOYSA-N 0 0 431.701 5.354 40 0 IKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020110171 556984869 /nfs/dbraw/zinc/98/48/69/556984869.db2.gz UTWXYEIYDIUEGI-HHHXNRCGSA-N 0 0 442.603 5.395 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000020110280 556985077 /nfs/dbraw/zinc/98/50/77/556985077.db2.gz YTMBYDZVOMPRKB-NRFANRHFSA-N 0 0 448.401 5.864 40 0 IKABRN O=C(Nc1cccc2ccccc21)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409174811 556985235 /nfs/dbraw/zinc/98/52/35/556985235.db2.gz VLYPDCRABVMITK-UHFFFAOYSA-N 0 0 432.317 6.434 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000409175039 556985278 /nfs/dbraw/zinc/98/52/78/556985278.db2.gz YKSUEXLUSYGLTE-LICLKQGHSA-N 0 0 435.307 5.277 40 0 IKABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c(Cl)c1 ZINC000020110653 556985334 /nfs/dbraw/zinc/98/53/34/556985334.db2.gz VOKBMHGWGMXTRB-UHFFFAOYSA-N 0 0 446.981 5.256 40 0 IKABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3O[C@H](C)CC)C2=O)cc1 ZINC000409176115 556985660 /nfs/dbraw/zinc/98/56/60/556985660.db2.gz HRMNHZNIZFNUPH-ZFMLPXDISA-N 0 0 438.549 5.101 40 0 IKABRN Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000409175960 556985694 /nfs/dbraw/zinc/98/56/94/556985694.db2.gz FZYRTZUGNITVBJ-UHFFFAOYSA-N 0 0 442.298 5.594 40 0 IKABRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000409176097 556985703 /nfs/dbraw/zinc/98/57/03/556985703.db2.gz HJGHCKGDUMQLRV-DEOSSOPVSA-N 0 0 439.870 5.365 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020111042 556985777 /nfs/dbraw/zinc/98/57/77/556985777.db2.gz XPVNREBNGIRGJM-UHFFFAOYSA-N 0 0 444.884 6.564 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020111105 556985787 /nfs/dbraw/zinc/98/57/87/556985787.db2.gz OAAHTBHMIMOMFG-UHFFFAOYSA-N 0 0 443.587 6.530 40 0 IKABRN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O ZINC000409172422 556985839 /nfs/dbraw/zinc/98/58/39/556985839.db2.gz HRTADPZFCJPFRP-VXLYETTFSA-N 0 0 439.924 5.113 40 0 IKABRN COc1ccc(-c2cc(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 ZINC000409176576 556985946 /nfs/dbraw/zinc/98/59/46/556985946.db2.gz RNBJARIAPZRHQE-UHFFFAOYSA-N 0 0 445.518 6.857 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020111713 556986327 /nfs/dbraw/zinc/98/63/27/556986327.db2.gz HKLSDPYOGIYBDL-UHFFFAOYSA-N 0 0 442.968 5.518 40 0 IKABRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000409177353 556986397 /nfs/dbraw/zinc/98/63/97/556986397.db2.gz FDNVGYGZDNGVFK-FQEVSTJZSA-N 0 0 429.697 5.884 40 0 IKABRN CCCCn1c2nnc(SCc3coc(-c4ccc(C)cc4)n3)n2c2ccccc2c1=O ZINC000023043517 556986384 /nfs/dbraw/zinc/98/63/84/556986384.db2.gz PXNHEHDOVVISBQ-UHFFFAOYSA-N 0 0 445.548 5.100 40 0 IKABRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000409177844 556986620 /nfs/dbraw/zinc/98/66/20/556986620.db2.gz ICAMNOYHUNNSAS-HHHXNRCGSA-N 0 0 447.494 5.261 40 0 IKABRN Clc1ccccc1NCc1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409177890 556986666 /nfs/dbraw/zinc/98/66/66/556986666.db2.gz CSSDAFJVCIHRKO-UHFFFAOYSA-N 0 0 442.773 7.991 40 0 IKABRN Clc1cccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)c1 ZINC000409177914 556986705 /nfs/dbraw/zinc/98/67/05/556986705.db2.gz DQUDRCGXVXCGRE-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000409178090 556986811 /nfs/dbraw/zinc/98/68/11/556986811.db2.gz JHWPPKBHFWHHNA-OJSPLJLUSA-N 0 0 438.549 5.156 40 0 IKABRN CC(C)c1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl ZINC000409179088 556987652 /nfs/dbraw/zinc/98/76/52/556987652.db2.gz JWYXKJVPMDWHAP-UHFFFAOYSA-N 0 0 425.868 5.331 40 0 IKABRN Cc1cc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)ccc1Cl ZINC000409179695 556987758 /nfs/dbraw/zinc/98/77/58/556987758.db2.gz SNXDHTAZFPNLAT-UHFFFAOYSA-N 0 0 432.259 5.170 40 0 IKABRN Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)c1 ZINC000409173448 556988233 /nfs/dbraw/zinc/98/82/33/556988233.db2.gz NJTPKDBCGGILPT-UHFFFAOYSA-N 0 0 449.765 6.585 40 0 IKABRN CCc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000409173902 556988249 /nfs/dbraw/zinc/98/82/49/556988249.db2.gz OWMWMFWUHASMOA-SANMLTNESA-N 0 0 449.934 5.789 40 0 IKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000020138489 556988985 /nfs/dbraw/zinc/98/89/85/556988985.db2.gz YTLLNORJKUAWJP-UHFFFAOYSA-N 0 0 436.689 5.116 40 0 IKABRN Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)c2)cc1 ZINC000409180101 556988958 /nfs/dbraw/zinc/98/89/58/556988958.db2.gz WNIPNDUZOPGRBP-HHHXNRCGSA-N 0 0 449.506 6.028 40 0 IKABRN O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc(-c2ccccc2)cc1 ZINC000409180757 556989214 /nfs/dbraw/zinc/98/92/14/556989214.db2.gz VGHKWDAAUNSQIN-UHFFFAOYSA-N 0 0 447.494 5.186 40 0 IKABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000020139848 556989203 /nfs/dbraw/zinc/98/92/03/556989203.db2.gz AEZPQBUPKAXAEJ-UHFFFAOYSA-N 0 0 438.277 5.714 40 0 IKABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020140001 556989222 /nfs/dbraw/zinc/98/92/22/556989222.db2.gz NBIKSACHHFELHL-UHFFFAOYSA-N 0 0 428.271 6.258 40 0 IKABRN Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1-c1ccc(CO)o1 ZINC000020139583 556989271 /nfs/dbraw/zinc/98/92/71/556989271.db2.gz PASOLQWMLKICIS-UHFFFAOYSA-N 0 0 432.328 6.521 40 0 IKABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000020140169 556989405 /nfs/dbraw/zinc/98/94/05/556989405.db2.gz JDDBQLXGVGKPES-UHFFFAOYSA-N 0 0 428.271 6.258 40 0 IKABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000020140060 556989426 /nfs/dbraw/zinc/98/94/26/556989426.db2.gz FJVNQJAXOSFCJB-UHFFFAOYSA-N 0 0 428.271 6.258 40 0 IKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020140336 556989431 /nfs/dbraw/zinc/98/94/31/556989431.db2.gz REQBSLCPJOCUJU-UHFFFAOYSA-N 0 0 437.879 5.922 40 0 IKABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000020140125 556989450 /nfs/dbraw/zinc/98/94/50/556989450.db2.gz AQCAWJUCZGPWQL-UHFFFAOYSA-N 0 0 428.271 6.258 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)o2)cc1Cl ZINC000020140351 556989468 /nfs/dbraw/zinc/98/94/68/556989468.db2.gz SIDFMEPSRARXCI-UHFFFAOYSA-N 0 0 442.298 6.566 40 0 IKABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)cc1 ZINC000409181382 556989608 /nfs/dbraw/zinc/98/96/08/556989608.db2.gz CBGGJXQSKVKSPR-LPYMAVHISA-N 0 0 447.560 5.460 40 0 IKABRN COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409181506 556989675 /nfs/dbraw/zinc/98/96/75/556989675.db2.gz CFDUQTCMFRGTMQ-UHFFFAOYSA-N 0 0 438.354 7.346 40 0 IKABRN Cc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1-c1ccc(CO)o1 ZINC000020140419 556989757 /nfs/dbraw/zinc/98/97/57/556989757.db2.gz CCBOTPZCQQZXRG-UHFFFAOYSA-N 0 0 425.843 6.052 40 0 IKABRN O=C(COC(=O)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000409181667 556989765 /nfs/dbraw/zinc/98/97/65/556989765.db2.gz DOFLXDFUMYQGEP-UHFFFAOYSA-N 0 0 426.493 5.686 40 0 IKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)c(C)c1 ZINC000409182761 556989947 /nfs/dbraw/zinc/98/99/47/556989947.db2.gz NZYYDOZWKSLSIX-MTJSOVHGSA-N 0 0 438.549 5.013 40 0 IKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000020144541 556990165 /nfs/dbraw/zinc/99/01/65/556990165.db2.gz QLBAPRPHFAGHIJ-UHFFFAOYSA-N 0 0 436.291 5.080 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020144233 556990170 /nfs/dbraw/zinc/99/01/70/556990170.db2.gz MCVYPCMRJMPAPO-UHFFFAOYSA-N 0 0 426.683 5.417 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020144241 556990176 /nfs/dbraw/zinc/99/01/76/556990176.db2.gz VMMGZJYOJZKXEW-UHFFFAOYSA-N 0 0 426.683 5.417 40 0 IKABRN COc1cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 ZINC000020144553 556990199 /nfs/dbraw/zinc/99/01/99/556990199.db2.gz KGVSGLHQUIPXSN-UHFFFAOYSA-N 0 0 436.291 5.080 40 0 IKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020144700 556990210 /nfs/dbraw/zinc/99/02/10/556990210.db2.gz UKRQMWXWLGBKKJ-LLVKDONJSA-N 0 0 440.710 5.805 40 0 IKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020144725 556990225 /nfs/dbraw/zinc/99/02/25/556990225.db2.gz RMYHPGNTZPDHSG-LLVKDONJSA-N 0 0 440.710 5.805 40 0 IKABRN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1-c1ccc(CO)o1 ZINC000020144713 556990228 /nfs/dbraw/zinc/99/02/28/556990228.db2.gz HYPRUQLUBZUJAD-GFCCVEGCSA-N 0 0 436.291 5.160 40 0 IKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000020144969 556990348 /nfs/dbraw/zinc/99/03/48/556990348.db2.gz FQVJJALSFVMMIV-UHFFFAOYSA-N 0 0 433.891 5.924 40 0 IKABRN COc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1-c1ccc(CO)o1 ZINC000020144974 556990365 /nfs/dbraw/zinc/99/03/65/556990365.db2.gz LPISZKKKJSCPJL-UHFFFAOYSA-N 0 0 429.472 5.279 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020145396 556990420 /nfs/dbraw/zinc/99/04/20/556990420.db2.gz XDFAQBAHMHQHGT-XYOKQWHBSA-N 0 0 437.854 6.143 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)cc1 ZINC000409175091 556990558 /nfs/dbraw/zinc/99/05/58/556990558.db2.gz PTECYZRBQUFOSH-QGZVFWFLSA-N 0 0 446.576 5.402 40 0 IKABRN COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc3ccccc3c2)cc1 ZINC000409184700 556990733 /nfs/dbraw/zinc/99/07/33/556990733.db2.gz ZGKHETPXOJUTRC-UHFFFAOYSA-N 0 0 426.468 5.467 40 0 IKABRN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1-c1ccc(CO)o1 ZINC000020150988 556991572 /nfs/dbraw/zinc/99/15/72/556991572.db2.gz OEPJESWAELOIOX-UKTHLTGXSA-N 0 0 449.890 6.013 40 0 IKABRN Cc1ccc(C2=N/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)cc1Cl ZINC000409198884 556991950 /nfs/dbraw/zinc/99/19/50/556991950.db2.gz GDZWUZKSZLRFDP-FYJGNVAPSA-N 0 0 438.310 6.225 40 0 IKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1C ZINC000020152293 556991972 /nfs/dbraw/zinc/99/19/72/556991972.db2.gz LBHYDCXINMZIQS-UHFFFAOYSA-N 0 0 446.528 5.036 40 0 IKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(C)cc3Cl)n2C)cc1 ZINC000409192737 556992465 /nfs/dbraw/zinc/99/24/65/556992465.db2.gz AFDLUUKKBWQMFU-RFBIWTDZSA-N 0 0 448.975 6.132 40 0 IKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)C1(c2ccccc2)CCCC1 ZINC000020153566 556992843 /nfs/dbraw/zinc/99/28/43/556992843.db2.gz BCKQAFUSVPNNMS-UHFFFAOYSA-N 0 0 434.561 5.072 40 0 IKABRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000409196357 556994531 /nfs/dbraw/zinc/99/45/31/556994531.db2.gz UIVITHPBZSKWDX-UHFFFAOYSA-N 0 0 431.102 6.725 40 0 IKABRN CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCOc1ccc(Cl)cc1 ZINC000409196750 556994706 /nfs/dbraw/zinc/99/47/06/556994706.db2.gz XFDXOKGLJCCRGG-RCCKNPSSSA-N 0 0 435.907 5.689 40 0 IKABRN Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](c2ccc(Cl)cc2)S3)cc1 ZINC000409196901 556994730 /nfs/dbraw/zinc/99/47/30/556994730.db2.gz RYIUZHHRLUFWMJ-HSZRJFAPSA-N 0 0 446.963 5.918 40 0 IKABRN COc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)[C@H](c2ccccc2)S3)cc1 ZINC000409197083 556994748 /nfs/dbraw/zinc/99/47/48/556994748.db2.gz VPLRFNJJSCZTQQ-DEOSSOPVSA-N 0 0 442.544 5.274 40 0 IKABRN Cc1cccc(OCc2ccc(C(=O)Oc3ccc(C)cc3-n3nc4ccccc4n3)cc2)c1 ZINC000409177038 556995334 /nfs/dbraw/zinc/99/53/34/556995334.db2.gz BJGSCZMCKYFDQS-UHFFFAOYSA-N 0 0 449.510 5.836 40 0 IKABRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3cccc4ccc(C)nc43)cc2)cc1 ZINC000409176958 556995368 /nfs/dbraw/zinc/99/53/68/556995368.db2.gz CGBNFHFQPCYWQW-UHFFFAOYSA-N 0 0 431.513 5.045 40 0 IKABRN Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\S(=O)(=O)c1ccc(Cl)cc1 ZINC000409206377 556996016 /nfs/dbraw/zinc/99/60/16/556996016.db2.gz IXCWCQDMYZZPKY-GYHWCHFESA-N 0 0 440.977 5.364 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000409177462 556996042 /nfs/dbraw/zinc/99/60/42/556996042.db2.gz FJKIRJAFHCBQHU-UHFFFAOYSA-N 0 0 430.287 5.611 40 0 IKABRN On1c2ccccc2c([C@@H](Nc2ccccn2)c2cccc(Cl)c2)c1-c1ccccc1 ZINC000020192851 556996632 /nfs/dbraw/zinc/99/66/32/556996632.db2.gz AWCHUXOBSHQALF-VWLOTQADSA-N 0 0 425.919 6.796 40 0 IKABRN On1c2ccccc2c([C@H](Nc2ccccn2)c2cccc(Cl)c2)c1-c1ccccc1 ZINC000020192853 556996679 /nfs/dbraw/zinc/99/66/79/556996679.db2.gz AWCHUXOBSHQALF-RUZDIDTESA-N 0 0 425.919 6.796 40 0 IKABRN O=C1N/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000409207446 556996727 /nfs/dbraw/zinc/99/67/27/556996727.db2.gz XCCBIUFWUTYLLN-UCQKPKSFSA-N 0 0 441.918 5.436 40 0 IKABRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000409179023 556998182 /nfs/dbraw/zinc/99/81/82/556998182.db2.gz MNBQFXAYSMUZRT-UHFFFAOYSA-N 0 0 434.344 5.528 40 0 IKABRN O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1)c1ccccc1 ZINC000409179095 556998192 /nfs/dbraw/zinc/99/81/92/556998192.db2.gz PSUALUPFDLDWLR-AREMUKBSSA-N 0 0 435.479 5.720 40 0 IKABRN CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc1 ZINC000409179533 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ZINC000409235036 557026109 /nfs/dbraw/zinc/02/61/09/557026109.db2.gz AAVDMMRLQCVLKI-UHFFFAOYSA-N 0 0 436.499 5.130 40 0 IKABRN Cc1sc2nc(SCC(=O)N(C(C)C)C(C)C)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409213051 557027107 /nfs/dbraw/zinc/02/71/07/557027107.db2.gz SDGNCZVNGYKVDK-UHFFFAOYSA-N 0 0 443.638 5.110 40 0 IKABRN COCCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C1=O ZINC000409212894 557027150 /nfs/dbraw/zinc/02/71/50/557027150.db2.gz RPBRDBBJWSKQGA-JMIUGGIZSA-N 0 0 444.915 5.165 40 0 IKABRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)C1=O ZINC000409214932 557028256 /nfs/dbraw/zinc/02/82/56/557028256.db2.gz YWPFXUWULBPNIQ-JCMHNJIXSA-N 0 0 443.540 6.030 40 0 IKABRN CCc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCC[C@@H]2C)cc1 ZINC000409215399 557029508 /nfs/dbraw/zinc/02/95/08/557029508.db2.gz XWAJXWZKOVCDND-FQEVSTJZSA-N 0 0 448.636 5.108 40 0 IKABRN CC(C)COC(=O)CN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000408527874 557030853 /nfs/dbraw/zinc/03/08/53/557030853.db2.gz FVHYNKZOPAGTFP-WQRHYEAKSA-N 0 0 447.597 5.223 40 0 IKABRN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408528561 557031339 /nfs/dbraw/zinc/03/13/39/557031339.db2.gz GNEBCELMGOUGRL-QFIPXVFZSA-N 0 0 444.556 5.032 40 0 IKABRN CCCN(CCC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C)cc1 ZINC000409218249 557031898 /nfs/dbraw/zinc/03/18/98/557031898.db2.gz ZPRMWYLPFTUFDW-UHFFFAOYSA-N 0 0 443.638 5.113 40 0 IKABRN Cc1ccc(S[C@H](CS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC000409219550 557033124 /nfs/dbraw/zinc/03/31/24/557033124.db2.gz NRGXAYYCBBWZKI-OAQYLSRUSA-N 0 0 437.413 6.609 40 0 IKABRN CCOc1cc(COc2ccc(Br)cc2C=O)ccc1OCc1ccccc1 ZINC000408541190 557033613 /nfs/dbraw/zinc/03/36/13/557033613.db2.gz YHLKZTOSXGRZSY-UHFFFAOYSA-N 0 0 441.321 5.818 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C)cc1 ZINC000408543043 557033650 /nfs/dbraw/zinc/03/36/50/557033650.db2.gz CCLVTAOOYYSKEA-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN O=C(CSc1ccc(Br)cc1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 ZINC000408541642 557033669 /nfs/dbraw/zinc/03/36/69/557033669.db2.gz COGSWSAWRYPUAH-SJLPKXTDSA-N 0 0 430.392 5.543 40 0 IKABRN CCOc1cc(COc2c(Cl)cc(C=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408540283 557034339 /nfs/dbraw/zinc/03/43/39/557034339.db2.gz PPYXAKHGHYTHHX-UHFFFAOYSA-N 0 0 440.923 6.108 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)c1 ZINC000408544555 557034640 /nfs/dbraw/zinc/03/46/40/557034640.db2.gz HPRYQNYNWZCHEE-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)c1C ZINC000408543888 557034671 /nfs/dbraw/zinc/03/46/71/557034671.db2.gz FWJFKSJRKRPKHC-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)C1=O ZINC000409220573 557034755 /nfs/dbraw/zinc/03/47/55/557034755.db2.gz BQIKFZFLQPXUJR-XDHOZWIPSA-N 0 0 449.931 5.903 40 0 IKABRN COc1cc(C)c(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OC ZINC000408548833 557034962 /nfs/dbraw/zinc/03/49/62/557034962.db2.gz LWCFEZSDUQQQJP-ZDLGFXPLSA-N 0 0 448.338 5.011 40 0 IKABRN CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000408547821 557034999 /nfs/dbraw/zinc/03/49/99/557034999.db2.gz NKKRFWWVFMKSEN-UHFFFAOYSA-N 0 0 426.563 5.078 40 0 IKABRN CCCCNC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000409256141 557035080 /nfs/dbraw/zinc/03/50/80/557035080.db2.gz OBTCSUZPXFYDJX-UHFFFAOYSA-N 0 0 425.381 5.395 40 0 IKABRN Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Nc1ccccc1 ZINC000408546402 557035780 /nfs/dbraw/zinc/03/57/80/557035780.db2.gz SDAFOKLEICKUCD-UHFFFAOYSA-N 0 0 449.359 5.033 40 0 IKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1OC ZINC000408553544 557036058 /nfs/dbraw/zinc/03/60/58/557036058.db2.gz ALOMSFIHHSIEJW-UHFFFAOYSA-N 0 0 440.927 5.377 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408550893 557036357 /nfs/dbraw/zinc/03/63/57/557036357.db2.gz ICNIAIHLOZKISC-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 ZINC000408552041 557036364 /nfs/dbraw/zinc/03/63/64/557036364.db2.gz GXIDSIKZPVRONW-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN CCOc1cc(C(=O)Nc2ccccc2Br)ccc1OCc1ccc(C)cc1 ZINC000408551440 557036425 /nfs/dbraw/zinc/03/64/25/557036425.db2.gz CTGCEGPXALOKQC-UHFFFAOYSA-N 0 0 440.337 5.988 40 0 IKABRN CCOc1c(Br)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000408554213 557036605 /nfs/dbraw/zinc/03/66/05/557036605.db2.gz BWBXJVZOGUGVBQ-SFHVURJKSA-N 0 0 442.762 5.288 40 0 IKABRN Clc1cc(NCc2ccc(OCc3ccccc3)c(Cl)c2)ccc1Br ZINC000408553827 557036685 /nfs/dbraw/zinc/03/66/85/557036685.db2.gz CARRDSMQPPYYDJ-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN O=C1CS[C@@H](c2ccccc2OCc2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408555013 557036952 /nfs/dbraw/zinc/03/69/52/557036952.db2.gz GQZZPLRWJQMYSE-QFIPXVFZSA-N 0 0 430.356 6.351 40 0 IKABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000409251672 557037001 /nfs/dbraw/zinc/03/70/01/557037001.db2.gz QCEKGHDLAOEMLL-UHFFFAOYSA-N 0 0 446.355 6.325 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 ZINC000408555498 557037253 /nfs/dbraw/zinc/03/72/53/557037253.db2.gz XTAHTVCAGOSOJE-UHFFFAOYSA-N 0 0 440.337 5.988 40 0 IKABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C(C)C)C2)c(C)c1 ZINC000408556246 557037272 /nfs/dbraw/zinc/03/72/72/557037272.db2.gz ZTPGTCDYVWLUOF-NRFANRHFSA-N 0 0 442.625 5.083 40 0 IKABRN COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408555416 557037289 /nfs/dbraw/zinc/03/72/89/557037289.db2.gz XHGNTHTXGKHPPC-UHFFFAOYSA-N 0 0 430.331 6.450 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC ZINC000408555679 557037333 /nfs/dbraw/zinc/03/73/33/557037333.db2.gz HXOJJVZBPNCNQR-UHFFFAOYSA-N 0 0 441.911 6.191 40 0 IKABRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 ZINC000408556690 557037493 /nfs/dbraw/zinc/03/74/93/557037493.db2.gz KBMHJSRRNLDBTH-QHCPKHFHSA-N 0 0 443.927 5.845 40 0 IKABRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000408556684 557037582 /nfs/dbraw/zinc/03/75/82/557037582.db2.gz LCWWZTMIRDGROU-XMMPIXPASA-N 0 0 439.964 6.096 40 0 IKABRN COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccc(C)cc1 ZINC000408556627 557037643 /nfs/dbraw/zinc/03/76/43/557037643.db2.gz KVANNMWTDSUIQL-UHFFFAOYSA-N 0 0 446.772 6.611 40 0 IKABRN Clc1cccc(COc2ccccc2CNc2ccc(Br)c(Cl)c2)c1 ZINC000408557094 557037648 /nfs/dbraw/zinc/03/76/48/557037648.db2.gz MBSYEJCTKGRMLG-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000408557475 557037866 /nfs/dbraw/zinc/03/78/66/557037866.db2.gz OCDGCTRDZSZDGS-UHFFFAOYSA-N 0 0 440.927 5.377 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1NC(=O)c1ccc(C)cc1 ZINC000408557473 557037872 /nfs/dbraw/zinc/03/78/72/557037872.db2.gz MYGKUOOJEUEYOY-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN O=C1CS[C@H](c2ccc(OCc3ccccc3)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408557546 557037934 /nfs/dbraw/zinc/03/79/34/557037934.db2.gz OOKRSJRWLALGLM-JOCHJYFZSA-N 0 0 430.356 6.351 40 0 IKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(OCC)c2)cc1 ZINC000408557607 557037947 /nfs/dbraw/zinc/03/79/47/557037947.db2.gz PJHILZLNSJYKSO-UHFFFAOYSA-N 0 0 438.499 5.253 40 0 IKABRN Clc1ccc(Cn2cc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000409264239 557038228 /nfs/dbraw/zinc/03/82/28/557038228.db2.gz OAGPHTCHXSFSFG-UHFFFAOYSA-N 0 0 436.367 7.182 40 0 IKABRN Cc1ccc(Cl)cc1NCc1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 ZINC000408558792 557038484 /nfs/dbraw/zinc/03/84/84/557038484.db2.gz VTHQKWIXHZAJBG-UHFFFAOYSA-N 0 0 433.310 6.071 40 0 IKABRN COc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Cl)cc1 ZINC000408558895 557038499 /nfs/dbraw/zinc/03/84/99/557038499.db2.gz WNLLWNIHDQLYOL-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccc(Br)cc1 ZINC000408559661 557038743 /nfs/dbraw/zinc/03/87/43/557038743.db2.gz ASMQFFSAZZAJQF-GYHWCHFESA-N 0 0 443.410 6.001 40 0 IKABRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccccc1F ZINC000408559492 557038797 /nfs/dbraw/zinc/03/87/97/557038797.db2.gz VQCXDNRFRIMJNG-HSZRJFAPSA-N 0 0 443.927 5.845 40 0 IKABRN CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c(Br)c1 ZINC000408563686 557038804 /nfs/dbraw/zinc/03/88/04/557038804.db2.gz WPJHPURVBQCQIB-ATJXCDBQSA-N 0 0 449.345 5.196 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1NC(=O)c1ccccc1C ZINC000408559526 557038829 /nfs/dbraw/zinc/03/88/29/557038829.db2.gz XPEMRRBUHSJYFV-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN CCOc1c(Br)cc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000408559512 557038839 /nfs/dbraw/zinc/03/88/39/557038839.db2.gz ZZODNPKGLSZBAA-UHFFFAOYSA-N 0 0 442.309 5.901 40 0 IKABRN CCCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408559654 557038843 /nfs/dbraw/zinc/03/88/43/557038843.db2.gz AQMMCNBBEJMTDZ-SGEDCAFJSA-N 0 0 436.665 6.450 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000408564193 557039076 /nfs/dbraw/zinc/03/90/76/557039076.db2.gz SMWXZMZEPJUPKU-UHFFFAOYSA-N 0 0 433.573 6.497 40 0 IKABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)N[C@H](C)c1ccccc1 ZINC000408560818 557039338 /nfs/dbraw/zinc/03/93/38/557039338.db2.gz PIDBQIVEEQBXHR-GOSISDBHSA-N 0 0 430.577 5.012 40 0 IKABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000408560209 557039343 /nfs/dbraw/zinc/03/93/43/557039343.db2.gz DQNDOAHCZHFVDA-UHFFFAOYSA-N 0 0 430.577 5.390 40 0 IKABRN Cc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1C ZINC000408560791 557039403 /nfs/dbraw/zinc/03/94/03/557039403.db2.gz FCOZDSHMMCDGPY-UHFFFAOYSA-N 0 0 447.318 5.151 40 0 IKABRN COc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1cccc(Br)c1 ZINC000409267452 557039553 /nfs/dbraw/zinc/03/95/53/557039553.db2.gz VQUNFQZHUFZJCY-UHFFFAOYSA-N 0 0 440.318 5.954 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(F)cc1 ZINC000408561345 557039964 /nfs/dbraw/zinc/03/99/64/557039964.db2.gz IBNYLOKFOYTBED-FLFQWRMESA-N 0 0 447.373 5.832 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccc3ccccc32)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408561776 557040002 /nfs/dbraw/zinc/04/00/02/557040002.db2.gz LDHPPYOKVLWRQG-DQSJHHFOSA-N 0 0 428.601 6.700 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(Br)cc1 ZINC000408561555 557040009 /nfs/dbraw/zinc/04/00/09/557040009.db2.gz JNGHOQSISXBUJK-ATJXCDBQSA-N 0 0 433.346 5.442 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562195 557040304 /nfs/dbraw/zinc/04/03/04/557040304.db2.gz OANWCHMCIPYPPG-QPLCGJKRSA-N 0 0 438.593 5.564 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562912 557040542 /nfs/dbraw/zinc/04/05/42/557040542.db2.gz SGJLJPHVQAULMI-LVWGJNHUSA-N 0 0 433.404 6.545 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562734 557040555 /nfs/dbraw/zinc/04/05/55/557040555.db2.gz RVHGKYSQVUENQO-LVWGJNHUSA-N 0 0 433.404 6.464 40 0 IKABRN CCCCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409261712 557040769 /nfs/dbraw/zinc/04/07/69/557040769.db2.gz ANRRZHMNZICQKW-UHFFFAOYSA-N 0 0 436.577 5.172 40 0 IKABRN S=C(NC[C@@H]1CCCO1)c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408571992 557040738 /nfs/dbraw/zinc/04/07/38/557040738.db2.gz DSYAKCVREWIZLV-HNNXBMFYSA-N 0 0 440.790 5.126 40 0 IKABRN COc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408571590 557040785 /nfs/dbraw/zinc/04/07/85/557040785.db2.gz BTEQGFQIAJZDHP-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccccc1Cl ZINC000408571587 557040829 /nfs/dbraw/zinc/04/08/29/557040829.db2.gz BSUPIRHEAHTYTD-UHFFFAOYSA-N 0 0 446.399 6.436 40 0 IKABRN S=C(c1cccc(OCc2ccccc2Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000408571794 557040846 /nfs/dbraw/zinc/04/08/46/557040846.db2.gz CNRDIFACKYSBFK-UHFFFAOYSA-N 0 0 436.020 6.549 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000408572046 557040917 /nfs/dbraw/zinc/04/09/17/557040917.db2.gz DYKGRJWWJKHGCV-UHFFFAOYSA-N 0 0 446.399 6.436 40 0 IKABRN CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409262801 557040950 /nfs/dbraw/zinc/04/09/50/557040950.db2.gz HLKMTUWNJWISKC-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN COc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Br)cc1 ZINC000408572154 557041039 /nfs/dbraw/zinc/04/10/39/557041039.db2.gz FKZTWQQXGFARKG-UHFFFAOYSA-N 0 0 432.339 5.095 40 0 IKABRN COc1cc(C(=S)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl ZINC000408572394 557041093 /nfs/dbraw/zinc/04/10/93/557041093.db2.gz GRLCGIJCVGZKAR-HNNXBMFYSA-N 0 0 426.365 5.025 40 0 IKABRN CCC[C@H](C)NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409263160 557041171 /nfs/dbraw/zinc/04/11/71/557041171.db2.gz ARFSMIKFOWIDAQ-FQEVSTJZSA-N 0 0 436.577 5.001 40 0 IKABRN COc1cc(C(=S)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl ZINC000408572396 557041152 /nfs/dbraw/zinc/04/11/52/557041152.db2.gz GRLCGIJCVGZKAR-OAHLLOKOSA-N 0 0 426.365 5.025 40 0 IKABRN COc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000408572111 557041157 /nfs/dbraw/zinc/04/11/57/557041157.db2.gz FFSBCBCFHSPIAS-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN COc1cccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 ZINC000408572742 557041265 /nfs/dbraw/zinc/04/12/65/557041265.db2.gz IAEQWRUIBKMKDS-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCN(CC)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c(C)c1 ZINC000408573219 557041278 /nfs/dbraw/zinc/04/12/78/557041278.db2.gz NAHUDPUNIVIVJT-DTQAZKPQSA-N 0 0 433.577 5.628 40 0 IKABRN O=C(CSCc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1 ZINC000408572908 557041381 /nfs/dbraw/zinc/04/13/81/557041381.db2.gz BROLKCKBDMRKMC-UHFFFAOYSA-N 0 0 426.379 5.588 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2OC)ccc1OCc1ccccc1Cl ZINC000408573195 557041410 /nfs/dbraw/zinc/04/14/10/557041410.db2.gz IYQADKQBTIKOPL-UHFFFAOYSA-N 0 0 441.980 5.792 40 0 IKABRN COc1cc(-c2nc3ccccc3s2)cc(Br)c1OCc1ccncc1 ZINC000409269432 557042090 /nfs/dbraw/zinc/04/20/90/557042090.db2.gz JJICYAQPMZJALO-UHFFFAOYSA-N 0 0 427.323 5.708 40 0 IKABRN S=C(NCc1ccccc1Cl)c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408571319 557042251 /nfs/dbraw/zinc/04/22/51/557042251.db2.gz AZTPDAKPXVQNLU-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN CCc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408571338 557042265 /nfs/dbraw/zinc/04/22/65/557042265.db2.gz BCXLBLXLEITUFS-UHFFFAOYSA-N 0 0 430.400 6.600 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 ZINC000408571262 557042270 /nfs/dbraw/zinc/04/22/70/557042270.db2.gz AUDJCGYMSPZUCO-UHFFFAOYSA-N 0 0 446.399 6.436 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000408574885 557042372 /nfs/dbraw/zinc/04/23/72/557042372.db2.gz MZVCMOPODLKQFC-UHFFFAOYSA-N 0 0 442.378 5.502 40 0 IKABRN CCc1ccc(CNC(=S)c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1 ZINC000408573708 557042674 /nfs/dbraw/zinc/04/26/74/557042674.db2.gz KAHJEUDGAHHSPH-UHFFFAOYSA-N 0 0 443.971 6.094 40 0 IKABRN COc1ccc(/C=C(/C(=O)N2CCN(c3cccc(C)c3C)CC2)c2ccccc2)cc1 ZINC000408574607 557043109 /nfs/dbraw/zinc/04/31/09/557043109.db2.gz AABMKMHPJWRDFN-LHLOQNFPSA-N 0 0 426.560 5.201 40 0 IKABRN COc1cccc(CNC(=S)c2cc(Br)ccc2OCc2ccccc2)c1 ZINC000408577265 557043263 /nfs/dbraw/zinc/04/32/63/557043263.db2.gz SDURIXDCTNUURF-UHFFFAOYSA-N 0 0 442.378 5.502 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408576890 557043312 /nfs/dbraw/zinc/04/33/12/557043312.db2.gz YOVUWAORADBLIS-DTQAZKPQSA-N 0 0 427.887 6.483 40 0 IKABRN COc1ccc(CCNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 ZINC000408577082 557043324 /nfs/dbraw/zinc/04/33/24/557043324.db2.gz REOHHHKDJAEBPK-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000408576884 557043369 /nfs/dbraw/zinc/04/33/69/557043369.db2.gz YKFSZCWCTXYDLX-QPJJXVBHSA-N 0 0 430.316 6.218 40 0 IKABRN S=C(NCc1ccccc1Cl)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408577127 557043372 /nfs/dbraw/zinc/04/33/72/557043372.db2.gz RIJVWZOEZQSVNV-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN CC1CCN(C(=S)c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)CC1 ZINC000408577883 557043579 /nfs/dbraw/zinc/04/35/79/557043579.db2.gz VJHDFXLINPVUNJ-UHFFFAOYSA-N 0 0 428.812 6.633 40 0 IKABRN S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408577834 557043632 /nfs/dbraw/zinc/04/36/32/557043632.db2.gz UQCBHRCWTCZIQU-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN COc1ccc(CNC(=S)c2cccc(OC)c2OCc2ccccc2Cl)cc1 ZINC000408577849 557043725 /nfs/dbraw/zinc/04/37/25/557043725.db2.gz UVBGITPLTPHFDO-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN COc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 ZINC000408578330 557043890 /nfs/dbraw/zinc/04/38/90/557043890.db2.gz XNQMWLOMCMQDAB-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN CCc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000408578349 557044011 /nfs/dbraw/zinc/04/40/11/557044011.db2.gz XRZZKGUBLGQTJR-UHFFFAOYSA-N 0 0 430.400 6.600 40 0 IKABRN CCOc1cc(C(=S)NCc2cccc(OC)c2)ccc1OCc1ccc(Cl)cc1 ZINC000408578604 557044178 /nfs/dbraw/zinc/04/41/78/557044178.db2.gz ZEJFHQIAZDYWSR-UHFFFAOYSA-N 0 0 441.980 5.792 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccccc1Cl ZINC000408578522 557044214 /nfs/dbraw/zinc/04/42/14/557044214.db2.gz YJAWRZHSTTXQCT-UHFFFAOYSA-N 0 0 425.981 6.091 40 0 IKABRN CCOc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000408578528 557044303 /nfs/dbraw/zinc/04/43/03/557044303.db2.gz YKQJBAAPXFDOTH-UHFFFAOYSA-N 0 0 425.981 5.826 40 0 IKABRN CN1CCN(C(=S)c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000408578527 557044309 /nfs/dbraw/zinc/04/43/09/557044309.db2.gz YKPJECHHCJOGNC-UHFFFAOYSA-N 0 0 429.800 5.149 40 0 IKABRN COc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408578577 557044332 /nfs/dbraw/zinc/04/43/32/557044332.db2.gz YWUUQTVLMZXIGJ-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408578562 557044355 /nfs/dbraw/zinc/04/43/55/557044355.db2.gz YUIOXPPIOJLKHP-UHFFFAOYSA-N 0 0 430.400 6.600 40 0 IKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 ZINC000408579556 557044513 /nfs/dbraw/zinc/04/45/13/557044513.db2.gz HUOKKNMZYQEDJF-UHFFFAOYSA-N 0 0 444.556 6.734 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)N1CCCCCC1 ZINC000408583247 557045209 /nfs/dbraw/zinc/04/52/09/557045209.db2.gz GPPHRRGNCAKAAM-UHFFFAOYSA-N 0 0 442.368 5.202 40 0 IKABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408576182 557045519 /nfs/dbraw/zinc/04/55/19/557045519.db2.gz SQGHDUNTPVCHIR-NFQMXDRXSA-N 0 0 444.600 5.212 40 0 IKABRN COc1ccc(Br)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000408585750 557045896 /nfs/dbraw/zinc/04/58/96/557045896.db2.gz HXOXRNJDDKFXOF-UHFFFAOYSA-N 0 0 425.278 5.164 40 0 IKABRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(Cl)c1OCC ZINC000409224254 557046197 /nfs/dbraw/zinc/04/61/97/557046197.db2.gz KMXMWPYOIXVCRN-XDHOZWIPSA-N 0 0 445.924 5.057 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C1=O ZINC000409224698 557046623 /nfs/dbraw/zinc/04/66/23/557046623.db2.gz IRFDIASZQMIVHM-FYJGNVAPSA-N 0 0 433.533 5.035 40 0 IKABRN Cc1ccc(Sc2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)cc1 ZINC000409227258 557053121 /nfs/dbraw/zinc/05/31/21/557053121.db2.gz UUMNDAYIXLANNW-MOSHPQCFSA-N 0 0 435.526 5.658 40 0 IKABRN O=C1S/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409227586 557053627 /nfs/dbraw/zinc/05/36/27/557053627.db2.gz QHFROPGIAJODCX-KGENOOAVSA-N 0 0 437.973 6.728 40 0 IKABRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1 ZINC000409229895 557055722 /nfs/dbraw/zinc/05/57/22/557055722.db2.gz ATWLQXIANMPSTQ-ODLFYWEKSA-N 0 0 427.287 5.655 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O ZINC000409230090 557055899 /nfs/dbraw/zinc/05/58/99/557055899.db2.gz BILVIFCWAIPYQS-WOJGMQOQSA-N 0 0 436.360 6.327 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000409229252 557056094 /nfs/dbraw/zinc/05/60/94/557056094.db2.gz MCQVOIQHYZGQOK-UZUMKDMXSA-N 0 0 428.916 5.009 40 0 IKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000409230678 557056471 /nfs/dbraw/zinc/05/64/71/557056471.db2.gz FHZAKTJZDWPJLK-HYARGMPZSA-N 0 0 432.907 5.320 40 0 IKABRN CC(C)c1cc(Br)ccc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000408593552 557057154 /nfs/dbraw/zinc/05/71/54/557057154.db2.gz BFZWQBOVVXAYJW-UHFFFAOYSA-N 0 0 446.197 6.006 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Br)c(O[C@@H](C)CC)c(OC)c2)C1=O ZINC000409230924 557057139 /nfs/dbraw/zinc/05/71/39/557057139.db2.gz GZCUBTWYRQFDSU-KBVGCWLLSA-N 0 0 428.348 5.081 40 0 IKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000408594644 557058110 /nfs/dbraw/zinc/05/81/10/557058110.db2.gz JBKFDBUCVNWHQW-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 ZINC000409232240 557058440 /nfs/dbraw/zinc/05/84/40/557058440.db2.gz PIQMMJPMJUSZOK-HMAPJEAMSA-N 0 0 435.545 6.522 40 0 IKABRN O=C1N/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409232369 557058757 /nfs/dbraw/zinc/05/87/57/557058757.db2.gz OHNKFMIMZPZMBN-OEAKJJBVSA-N 0 0 443.453 5.061 40 0 IKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Br)cc1F ZINC000023039589 557058788 /nfs/dbraw/zinc/05/87/88/557058788.db2.gz VLFZZWVZQNAEFG-UHFFFAOYSA-N 0 0 437.490 5.022 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(COc3cccc4ccccc43)n2CC)cc1 ZINC000408596227 557059728 /nfs/dbraw/zinc/05/97/28/557059728.db2.gz QJJVXEJOJHHRPZ-UHFFFAOYSA-N 0 0 446.576 5.323 40 0 IKABRN Fc1cccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3Cl)cc2Cl)c1 ZINC000408612159 557067192 /nfs/dbraw/zinc/06/71/92/557067192.db2.gz UQSIMOSHCQRJJK-UHFFFAOYSA-N 0 0 445.148 7.630 40 0 IKABRN CCCCc1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000409326389 557067346 /nfs/dbraw/zinc/06/73/46/557067346.db2.gz JZQIYVZFTHPCDR-UHFFFAOYSA-N 0 0 436.577 5.172 40 0 IKABRN Cc1cc(Br)ccc1NCc1cccc(OCc2cccc3ccccc32)c1 ZINC000408613988 557068279 /nfs/dbraw/zinc/06/82/79/557068279.db2.gz XDKIIHWJVIGZKV-UHFFFAOYSA-N 0 0 432.361 7.102 40 0 IKABRN Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cc2ccccc2o1 ZINC000409341255 557068659 /nfs/dbraw/zinc/06/86/59/557068659.db2.gz APISNTPNQUBRQW-UHFFFAOYSA-N 0 0 433.320 5.266 40 0 IKABRN Cc1ccc([C@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000408604087 557069150 /nfs/dbraw/zinc/06/91/50/557069150.db2.gz DIASFIYXFPKZTA-SANMLTNESA-N 0 0 442.559 5.026 40 0 IKABRN Cc1ccc([C@@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000408604085 557069169 /nfs/dbraw/zinc/06/91/69/557069169.db2.gz DIASFIYXFPKZTA-AREMUKBSSA-N 0 0 442.559 5.026 40 0 IKABRN Cc1cccc(NC(=O)COc2ccccc2CNc2ccc(Br)cc2C)c1 ZINC000408603615 557069211 /nfs/dbraw/zinc/06/92/11/557069211.db2.gz BYXPFRBNLXFQJC-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1 ZINC000408604802 557069214 /nfs/dbraw/zinc/06/92/14/557069214.db2.gz FFZCUYDDJKQISD-UHFFFAOYSA-N 0 0 431.319 5.632 40 0 IKABRN O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000408605972 557069545 /nfs/dbraw/zinc/06/95/45/557069545.db2.gz ZOTSBSJZGFHWSK-DJKKODMXSA-N 0 0 449.837 6.254 40 0 IKABRN CCOc1c(I)cc(CNc2ccc(F)c(Cl)c2)cc1OC ZINC000408607247 557069718 /nfs/dbraw/zinc/06/97/18/557069718.db2.gz KFLMRYKWYMOBPB-UHFFFAOYSA-N 0 0 435.664 5.103 40 0 IKABRN Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1NC(=O)c1ccccc1 ZINC000408606388 557069821 /nfs/dbraw/zinc/06/98/21/557069821.db2.gz LURCPCAFGWEEHR-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Fc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1Cl ZINC000408606619 557069895 /nfs/dbraw/zinc/06/98/95/557069895.db2.gz JEMWETTVLSRFBB-UHFFFAOYSA-N 0 0 438.699 6.572 40 0 IKABRN O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)Nc1cccc2ccccc21 ZINC000408626065 557071982 /nfs/dbraw/zinc/07/19/82/557071982.db2.gz LAEBHIMKFKHOFW-UHFFFAOYSA-N 0 0 448.931 5.308 40 0 IKABRN COc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2cccc(F)c2)cc1 ZINC000408628252 557072233 /nfs/dbraw/zinc/07/22/33/557072233.db2.gz VIBMXPWRWMKVSC-UHFFFAOYSA-N 0 0 440.323 5.537 40 0 IKABRN O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)Nc1ccc2ccccc2c1 ZINC000408628119 557072276 /nfs/dbraw/zinc/07/22/76/557072276.db2.gz UMIMMLHKZOQYLN-UHFFFAOYSA-N 0 0 448.931 5.308 40 0 IKABRN CCOc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000408628609 557072398 /nfs/dbraw/zinc/07/23/98/557072398.db2.gz ZIZGBJDBZIFAFO-UHFFFAOYSA-N 0 0 431.941 5.143 40 0 IKABRN COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc(C)cc1 ZINC000408614219 557073954 /nfs/dbraw/zinc/07/39/54/557073954.db2.gz ZVKGDRDFPMBDMM-UHFFFAOYSA-N 0 0 426.354 6.266 40 0 IKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000408617459 557075066 /nfs/dbraw/zinc/07/50/66/557075066.db2.gz AMTKOIYECYDMTN-URFUVCHWSA-N 0 0 448.349 5.738 40 0 IKABRN CSc1nc2sc(C(=O)Nc3c(C)cccc3C(C)C)cc2c(N2CCCC2)n1 ZINC000408618184 557075234 /nfs/dbraw/zinc/07/52/34/557075234.db2.gz DVSAQLPELOUDQG-UHFFFAOYSA-N 0 0 426.611 5.698 40 0 IKABRN O=C(COC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc(-c2ccccc2)cc1 ZINC000408618865 557075345 /nfs/dbraw/zinc/07/53/45/557075345.db2.gz HJYXSHXKBNXVRB-UHFFFAOYSA-N 0 0 434.850 6.446 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408618844 557075394 /nfs/dbraw/zinc/07/53/94/557075394.db2.gz HEUPPDRDBBAZKV-UHFFFAOYSA-N 0 0 443.717 6.388 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc(Cl)c1OCC ZINC000408620239 557075608 /nfs/dbraw/zinc/07/56/08/557075608.db2.gz LENNLWZVHOKHQO-UHFFFAOYSA-N 0 0 441.911 6.191 40 0 IKABRN Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCc1ccc(Cl)cc1 ZINC000409347596 557075840 /nfs/dbraw/zinc/07/58/40/557075840.db2.gz QHWOQHKEKAVAOX-UHFFFAOYSA-N 0 0 441.771 5.249 40 0 IKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 ZINC000408620967 557075998 /nfs/dbraw/zinc/07/59/98/557075998.db2.gz KVKLZYYGFIEUPI-JGSRLKPESA-N 0 0 448.349 5.738 40 0 IKABRN CSc1nc2sc(C(=O)Nc3ccc(Cl)cc3C)cc2c(N2CCCCC2)n1 ZINC000408620920 557076067 /nfs/dbraw/zinc/07/60/67/557076067.db2.gz MVIAGNAMSKJECH-UHFFFAOYSA-N 0 0 433.002 5.618 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1 ZINC000408621581 557076073 /nfs/dbraw/zinc/07/60/73/557076073.db2.gz OTJVJANKQIAXQB-UHFFFAOYSA-N 0 0 446.890 5.258 40 0 IKABRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1cc2c(ccc3ccccc23)o1 ZINC000408621265 557076084 /nfs/dbraw/zinc/07/60/84/557076084.db2.gz QOFQDORMZYJHFE-UHFFFAOYSA-N 0 0 430.356 6.556 40 0 IKABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O ZINC000409235455 557076848 /nfs/dbraw/zinc/07/68/48/557076848.db2.gz QDEPRBFANYQLQX-HZHRSRAPSA-N 0 0 433.529 5.874 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Br ZINC000409235262 557076867 /nfs/dbraw/zinc/07/68/67/557076867.db2.gz OMHSVJPLXNTIRH-IYSPOMMRSA-N 0 0 443.341 5.028 40 0 IKABRN O=C(Nc1ccccc1Sc1ccccc1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000408635687 557077267 /nfs/dbraw/zinc/07/72/67/557077267.db2.gz HGTMOWFAEDANDQ-UHFFFAOYSA-N 0 0 448.547 6.579 40 0 IKABRN COc1cc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn32)c(OC)cc1Cl ZINC000408635494 557077319 /nfs/dbraw/zinc/07/73/19/557077319.db2.gz CFVKBPXDARDTTF-UHFFFAOYSA-N 0 0 434.879 5.098 40 0 IKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000408635584 557077377 /nfs/dbraw/zinc/07/73/77/557077377.db2.gz FJVWCDAQGIVLRX-UHFFFAOYSA-N 0 0 432.479 6.220 40 0 IKABRN COc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1Cl ZINC000408636472 557077623 /nfs/dbraw/zinc/07/76/23/557077623.db2.gz QTMICBNPLWPZNH-UHFFFAOYSA-N 0 0 439.298 5.743 40 0 IKABRN COc1ccc(-c2c(C)nn3c2nc(C)cc3-c2ccc(Br)cc2)cc1OC ZINC000408635777 557077703 /nfs/dbraw/zinc/07/77/03/557077703.db2.gz BPQYWRVLJCKWRY-UHFFFAOYSA-N 0 0 438.325 5.460 40 0 IKABRN COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409349672 557077871 /nfs/dbraw/zinc/07/78/71/557077871.db2.gz RCVGEAGLEOCWQB-QNGOZBTKSA-N 0 0 431.469 5.155 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)c1C ZINC000408637539 557078004 /nfs/dbraw/zinc/07/80/04/557078004.db2.gz AGGAKZCSKDCRMP-IRLDBZIGSA-N 0 0 428.532 5.644 40 0 IKABRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 ZINC000408637775 557078205 /nfs/dbraw/zinc/07/82/05/557078205.db2.gz ABCFCZOWQPZZEU-HXUWFJFHSA-N 0 0 444.531 5.486 40 0 IKABRN Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O ZINC000408638369 557078639 /nfs/dbraw/zinc/07/86/39/557078639.db2.gz CAHKDWGGEJNXAY-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)cc1C ZINC000408638178 557078666 /nfs/dbraw/zinc/07/86/66/557078666.db2.gz CDSZFBMIICYUSE-IRLDBZIGSA-N 0 0 428.532 5.644 40 0 IKABRN O=C(Nc1ccc(Br)cc1F)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000409265236 557078823 /nfs/dbraw/zinc/07/88/23/557078823.db2.gz TXANRAJVQRBGOM-SFQUDFHCSA-N 0 0 430.704 6.421 40 0 IKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O ZINC000408640016 557078878 /nfs/dbraw/zinc/07/88/78/557078878.db2.gz HXBZKHQFFYHFKN-HNNXBMFYSA-N 0 0 449.776 5.219 40 0 IKABRN COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 ZINC000408639359 557078987 /nfs/dbraw/zinc/07/89/87/557078987.db2.gz FQDGSBYEJBJVSL-IBGZPJMESA-N 0 0 430.504 5.096 40 0 IKABRN CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2Cl)cc1 ZINC000409238677 557079128 /nfs/dbraw/zinc/07/91/28/557079128.db2.gz KTFNAAZNJLMIGO-UHFFFAOYSA-N 0 0 431.001 5.327 40 0 IKABRN Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408640159 557079183 /nfs/dbraw/zinc/07/91/83/557079183.db2.gz HMZBDGRMMKIFPU-NSHDSACASA-N 0 0 442.140 5.056 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409237378 557079222 /nfs/dbraw/zinc/07/92/22/557079222.db2.gz IJVGFFMJGWAOJP-PXLXIMEGSA-N 0 0 441.549 5.046 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)cc1 ZINC000408640428 557079223 /nfs/dbraw/zinc/07/92/23/557079223.db2.gz HXKGYVKLUPAACO-QFIPXVFZSA-N 0 0 436.511 5.932 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1C ZINC000408640312 557079260 /nfs/dbraw/zinc/07/92/60/557079260.db2.gz ISQUXYSUOSITGX-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1Cl ZINC000408640823 557079282 /nfs/dbraw/zinc/07/92/82/557079282.db2.gz IWYWQKPIMCUQCK-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1Cl ZINC000409351995 557079306 /nfs/dbraw/zinc/07/93/06/557079306.db2.gz VKASMXMLAMCUMJ-UHFFFAOYSA-N 0 0 447.347 5.574 40 0 IKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O ZINC000408640881 557079495 /nfs/dbraw/zinc/07/94/95/557079495.db2.gz KCZPXUQCVRHHOS-QFIPXVFZSA-N 0 0 442.559 5.904 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000409239828 557079469 /nfs/dbraw/zinc/07/94/69/557079469.db2.gz FMRQADXECDDAMO-DDLUMYACSA-N 0 0 442.943 5.317 40 0 IKABRN COc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c1 ZINC000408641092 557079573 /nfs/dbraw/zinc/07/95/73/557079573.db2.gz JPTVWDRWLAUVRY-LJQANCHMSA-N 0 0 430.504 5.096 40 0 IKABRN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(C(C)C)cc4)n3C)oc21 ZINC000409352621 557079965 /nfs/dbraw/zinc/07/99/65/557079965.db2.gz XJHBEXFYJMHEBS-UHFFFAOYSA-N 0 0 436.537 5.091 40 0 IKABRN CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000408641441 557080215 /nfs/dbraw/zinc/08/02/15/557080215.db2.gz LLMZBKRSHWSDSZ-OAQYLSRUSA-N 0 0 444.531 5.178 40 0 IKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O ZINC000408641493 557080239 /nfs/dbraw/zinc/08/02/39/557080239.db2.gz LZZWTRHTSLUXPR-SFHVURJKSA-N 0 0 443.385 5.182 40 0 IKABRN Cc1ccc(C)c(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1 ZINC000409247043 557080344 /nfs/dbraw/zinc/08/03/44/557080344.db2.gz AWFJUHLHOSBUEV-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc5ccccc54)cc3)C2=O)c1 ZINC000409246949 557080387 /nfs/dbraw/zinc/08/03/87/557080387.db2.gz LOXBCZBMMVPFRV-WPWMEQJKSA-N 0 0 448.522 5.820 40 0 IKABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3cccc4ccccc43)C2=O)c1 ZINC000409245850 557080399 /nfs/dbraw/zinc/08/03/99/557080399.db2.gz ZWTYJNLVTGROSE-YZSQISJMSA-N 0 0 448.522 5.820 40 0 IKABRN O=C1NC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409249762 557080666 /nfs/dbraw/zinc/08/06/66/557080666.db2.gz VMYSTKDIVDDHLP-YVLHZVERSA-N 0 0 433.678 6.004 40 0 IKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc4ccccc43)c3ccccc3n2)cc1 ZINC000408644830 557081173 /nfs/dbraw/zinc/08/11/73/557081173.db2.gz HPSBGBQIEIMJAR-UHFFFAOYSA-N 0 0 446.506 6.159 40 0 IKABRN CCc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000409254277 557081231 /nfs/dbraw/zinc/08/12/31/557081231.db2.gz YRLDPGWEGCLOHU-UHFFFAOYSA-N 0 0 438.955 5.849 40 0 IKABRN CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409253061 557081251 /nfs/dbraw/zinc/08/12/51/557081251.db2.gz AMRFKVGJMUKWDR-UHFFFAOYSA-N 0 0 445.346 6.022 40 0 IKABRN COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 ZINC000408645649 557081518 /nfs/dbraw/zinc/08/15/18/557081518.db2.gz SOUSOQDRYLCRHI-INIZCTEOSA-N 0 0 436.895 5.133 40 0 IKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409255400 557081526 /nfs/dbraw/zinc/08/15/26/557081526.db2.gz KAPQLDCJHKJZEP-UHFFFAOYSA-N 0 0 438.955 5.903 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000409258191 557081530 /nfs/dbraw/zinc/08/15/30/557081530.db2.gz UDFYGRUWIOMXEV-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN CCC[C@H](C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000409255967 557081539 /nfs/dbraw/zinc/08/15/39/557081539.db2.gz MWMAGHAOVCQVHC-FQEVSTJZSA-N 0 0 436.577 5.001 40 0 IKABRN COc1cc(CNc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409258664 557081588 /nfs/dbraw/zinc/08/15/88/557081588.db2.gz YOKCZBRJKDCZMO-UHFFFAOYSA-N 0 0 438.955 5.903 40 0 IKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409258624 557081610 /nfs/dbraw/zinc/08/16/10/557081610.db2.gz VTSWBFMIGDUCNF-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN CCOc1cc(CNc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409257621 557081617 /nfs/dbraw/zinc/08/16/17/557081617.db2.gz RHSVFXNSJVMFHK-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409268734 557082160 /nfs/dbraw/zinc/08/21/60/557082160.db2.gz YISBUTSDVOCMMK-UHFFFAOYSA-N 0 0 430.356 7.248 40 0 IKABRN Cc1c(Cl)c(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408647362 557082678 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/nfs/dbraw/zinc/12/09/19/557120919.db2.gz RRTLXJYOJDMBKD-UHFFFAOYSA-N 0 0 446.638 5.076 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cc(Br)c(N)c(Br)c2)cc1 ZINC000008702095 557121219 /nfs/dbraw/zinc/12/12/19/557121219.db2.gz NSYHCRATOTZHHZ-UHFFFAOYSA-N 0 0 426.152 5.344 40 0 IKABRN Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cc2ccccc2o1 ZINC000409342376 557121224 /nfs/dbraw/zinc/12/12/24/557121224.db2.gz BZHXDKZSJUIFDV-UHFFFAOYSA-N 0 0 433.320 5.266 40 0 IKABRN Cn1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)c2ccccc21 ZINC000409342537 557121255 /nfs/dbraw/zinc/12/12/55/557121255.db2.gz GNESYZCDWCKCSX-LPYMAVHISA-N 0 0 441.512 5.007 40 0 IKABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000101188676 557121556 /nfs/dbraw/zinc/12/15/56/557121556.db2.gz MXBWENSSVWNTAQ-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)cc1 ZINC000101188995 557121577 /nfs/dbraw/zinc/12/15/77/557121577.db2.gz HEYPMAXMGXLOFP-UHFFFAOYSA-N 0 0 446.576 5.149 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cc2ccccc2o1 ZINC000101189108 557121594 /nfs/dbraw/zinc/12/15/94/557121594.db2.gz ZIRZWIYVRIZTAT-UHFFFAOYSA-N 0 0 447.347 5.749 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cc2ccccc2o1 ZINC000101189016 557121643 /nfs/dbraw/zinc/12/16/43/557121643.db2.gz AXTYLSXVPMOALY-UHFFFAOYSA-N 0 0 447.347 5.749 40 0 IKABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000101189575 557121843 /nfs/dbraw/zinc/12/18/43/557121843.db2.gz BXTSYCNOPLRAPN-UHFFFAOYSA-N 0 0 444.988 5.186 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2C)n1C ZINC000101189162 557121885 /nfs/dbraw/zinc/12/18/85/557121885.db2.gz QUYXFZXSBFUOQJ-UHFFFAOYSA-N 0 0 446.576 5.149 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)cc1C ZINC000101189979 557121946 /nfs/dbraw/zinc/12/19/46/557121946.db2.gz ZZDFVAUZFNNWPR-UHFFFAOYSA-N 0 0 446.576 5.203 40 0 IKABRN CCCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Br ZINC000409343819 557122514 /nfs/dbraw/zinc/12/25/14/557122514.db2.gz HXJHFDDKJFYPQR-RGEXLXHISA-N 0 0 446.366 5.517 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@H](C)Oc1ccccc1 ZINC000409344159 557122557 /nfs/dbraw/zinc/12/25/57/557122557.db2.gz FWOUANCZOXCXHU-HNNXBMFYSA-N 0 0 430.961 5.131 40 0 IKABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O ZINC000409344104 557122607 /nfs/dbraw/zinc/12/26/07/557122607.db2.gz IVMLFUZLJFZIBA-RSZPVBOMSA-N 0 0 438.549 5.156 40 0 IKABRN Cc1ccc(-c2cnc3ccccc3n2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000001443150 557123474 /nfs/dbraw/zinc/12/34/74/557123474.db2.gz UILHFKOBERFHRR-UHFFFAOYSA-N 0 0 444.343 5.713 40 0 IKABRN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000101376041 557123751 /nfs/dbraw/zinc/12/37/51/557123751.db2.gz YWNGHXVNEWBXJW-NHDPSOOVSA-N 0 0 442.273 6.056 40 0 IKABRN CC(C)C(NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)C(C)C ZINC000408704540 557123736 /nfs/dbraw/zinc/12/37/36/557123736.db2.gz PGWSGNTYMSRJLW-XMMPIXPASA-N 0 0 445.028 5.525 40 0 IKABRN CC(C)C(NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)C(C)C ZINC000408704539 557123912 /nfs/dbraw/zinc/12/39/12/557123912.db2.gz PGWSGNTYMSRJLW-DEOSSOPVSA-N 0 0 445.028 5.525 40 0 IKABRN O=C(NCc1ccccc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704649 557124095 /nfs/dbraw/zinc/12/40/95/557124095.db2.gz QXBNCLMGOZIDDX-DEOSSOPVSA-N 0 0 436.964 5.044 40 0 IKABRN CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000409344608 557124557 /nfs/dbraw/zinc/12/45/57/557124557.db2.gz HOZNBJPMOIKDRP-HYARGMPZSA-N 0 0 430.529 5.638 40 0 IKABRN COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC ZINC000001904360 557127293 /nfs/dbraw/zinc/12/72/93/557127293.db2.gz ROBUIWNVLCYIFO-AWNIVKPZSA-N 0 0 430.529 5.941 40 0 IKABRN O=C(CSc1nc2cc(Br)ccc2[nH]1)Nc1cc(Cl)ccc1Cl ZINC000020765275 557127743 /nfs/dbraw/zinc/12/77/43/557127743.db2.gz LWQPOMSZHCINED-UHFFFAOYSA-N 0 0 431.142 5.363 40 0 IKABRN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc32)cc1 ZINC000020766042 557128004 /nfs/dbraw/zinc/12/80/04/557128004.db2.gz FFYMDPMYTSJBKT-UHFFFAOYSA-N 0 0 440.952 5.042 40 0 IKABRN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1sc2cc(Cl)ccc2c1Cl ZINC000002196213 557128315 /nfs/dbraw/zinc/12/83/15/557128315.db2.gz RUYWNDJBSBSWRU-UHFFFAOYSA-N 0 0 439.345 5.106 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767110 557128801 /nfs/dbraw/zinc/12/88/01/557128801.db2.gz DPPVWSOIEQSGAE-UHFFFAOYSA-N 0 0 440.952 5.042 40 0 IKABRN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000409348375 557128890 /nfs/dbraw/zinc/12/88/90/557128890.db2.gz OZOFGPHNCOSFHG-LPYMAVHISA-N 0 0 441.512 5.305 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc(C)c1Cl ZINC000408706299 557128913 /nfs/dbraw/zinc/12/89/13/557128913.db2.gz ZLUBVQSZBPPLET-CQSZACIVSA-N 0 0 446.827 6.081 40 0 IKABRN CC1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 ZINC000408708110 557128982 /nfs/dbraw/zinc/12/89/82/557128982.db2.gz OCYZUCCEPKSKHS-MRXNPFEDSA-N 0 0 446.378 5.221 40 0 IKABRN CSc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000409351990 557129795 /nfs/dbraw/zinc/12/97/95/557129795.db2.gz VJAWSZJJPUTONO-MHZLTWQESA-N 0 0 436.580 6.774 40 0 IKABRN CCCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409349961 557130094 /nfs/dbraw/zinc/13/00/94/557130094.db2.gz SELXNWHJZBTSRK-PXLXIMEGSA-N 0 0 437.948 6.913 40 0 IKABRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000408720286 557130574 /nfs/dbraw/zinc/13/05/74/557130574.db2.gz KWTCFPZJWSDUHS-HWUWQJTLSA-N 0 0 447.534 5.402 40 0 IKABRN Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102763386 557132719 /nfs/dbraw/zinc/13/27/19/557132719.db2.gz IRKTWDNRKMSRGK-UODIDJSMSA-N 0 0 434.495 5.199 40 0 IKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(Br)cc1 ZINC000408714225 557132994 /nfs/dbraw/zinc/13/29/94/557132994.db2.gz LRQLHELONPGJFO-UHFFFAOYSA-N 0 0 428.330 5.069 40 0 IKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000408714723 557132999 /nfs/dbraw/zinc/13/29/99/557132999.db2.gz WKPFABNCIYHCKQ-UHFFFAOYSA-N 0 0 439.559 5.902 40 0 IKABRN Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(OCc4ccccc4Cl)cc3)o2)cc1 ZINC000408714449 557133043 /nfs/dbraw/zinc/13/30/43/557133043.db2.gz RAAXFULCDKICTD-UHFFFAOYSA-N 0 0 447.922 5.550 40 0 IKABRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102709196 557133071 /nfs/dbraw/zinc/13/30/71/557133071.db2.gz SBXXZWYDZDXGMP-KKUQBAQOSA-N 0 0 434.495 5.199 40 0 IKABRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc(C)c(O)c(C)c2)cc1 ZINC000021085527 557133420 /nfs/dbraw/zinc/13/34/20/557133420.db2.gz DPZWOHKRKHLHNL-UHFFFAOYSA-N 0 0 446.591 5.433 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccccc2)cc1 ZINC000408724213 557133819 /nfs/dbraw/zinc/13/38/19/557133819.db2.gz IBDWPRREYYMDRI-UHFFFAOYSA-N 0 0 432.321 5.863 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)nn2-c2cccc(C)c2)cc1 ZINC000408724169 557133845 /nfs/dbraw/zinc/13/38/45/557133845.db2.gz GYDTWRKWVOVXSA-UHFFFAOYSA-N 0 0 446.348 6.171 40 0 IKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)cc2-c2ccc3ccccc3c2)c1 ZINC000408724273 557133858 /nfs/dbraw/zinc/13/38/58/557133858.db2.gz JJHKMTBJQLLNGY-UHFFFAOYSA-N 0 0 445.566 7.377 40 0 IKABRN Cc1cccc(-n2nc(C(=O)Nc3cc(C)cc(C)c3)cc2-c2cccc3ccccc32)c1 ZINC000408724469 557134135 /nfs/dbraw/zinc/13/41/35/557134135.db2.gz KYIIHRWVZDHZMF-UHFFFAOYSA-N 0 0 431.539 6.870 40 0 IKABRN Cc1cccc(-n2nc(C(=O)Nc3cc(C)ccc3C)cc2-c2cccc3ccccc32)c1 ZINC000408724468 557134142 /nfs/dbraw/zinc/13/41/42/557134142.db2.gz KYAVUIYXNYATKB-UHFFFAOYSA-N 0 0 431.539 6.870 40 0 IKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(C)cc3C)cc2-c2cccc3ccccc32)c1 ZINC000408724565 557134151 /nfs/dbraw/zinc/13/41/51/557134151.db2.gz MBBRGICXNCLIRD-UHFFFAOYSA-N 0 0 431.539 6.870 40 0 IKABRN Cc1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)cc1 ZINC000408725019 557134820 /nfs/dbraw/zinc/13/48/20/557134820.db2.gz NPALRTVTDXSMKS-UHFFFAOYSA-N 0 0 429.523 6.767 40 0 IKABRN CC(C)c1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1 ZINC000408724952 557134909 /nfs/dbraw/zinc/13/49/09/557134909.db2.gz NFUOCKLVDUFGQD-UHFFFAOYSA-N 0 0 431.539 7.068 40 0 IKABRN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000021124225 557135800 /nfs/dbraw/zinc/13/58/00/557135800.db2.gz DINQAIQKLRZIDE-UHFFFAOYSA-N 0 0 428.282 5.527 40 0 IKABRN CC1CCN(C(=S)Oc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000408722164 557136083 /nfs/dbraw/zinc/13/60/83/557136083.db2.gz PUDXTJKTLYEZKK-UHFFFAOYSA-N 0 0 433.371 5.097 40 0 IKABRN CCn1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)c2ccccc21 ZINC000409354005 557136133 /nfs/dbraw/zinc/13/61/33/557136133.db2.gz WJGLHIJMAGIIIY-ODLFYWEKSA-N 0 0 441.350 5.660 40 0 IKABRN C[C@@H](Nc1ccc2c3c1cccc3C(=O)N(c1cccc(Cl)c1)C2=O)c1ccccc1 ZINC000408722953 557136704 /nfs/dbraw/zinc/13/67/04/557136704.db2.gz YGWXFVPBYIRPLS-MRXNPFEDSA-N 0 0 426.903 6.467 40 0 IKABRN CC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918160 557136839 /nfs/dbraw/zinc/13/68/39/557136839.db2.gz CNXPKARYBROKAV-IPQAMJNRSA-N 0 0 435.652 5.975 40 0 IKABRN O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000409356540 557136852 /nfs/dbraw/zinc/13/68/52/557136852.db2.gz HRYFDJXNOMLLEJ-RQZCQDPDSA-N 0 0 432.284 5.336 40 0 IKABRN CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000409365086 557137343 /nfs/dbraw/zinc/13/73/43/557137343.db2.gz YQZPFZCFJCGJLJ-UHFFFAOYSA-N 0 0 440.638 5.387 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)cc2-c2ccc3ccccc3c2)cc1 ZINC000408726620 557137335 /nfs/dbraw/zinc/13/73/35/557137335.db2.gz SDDXMHGYUOHRNX-UHFFFAOYSA-N 0 0 431.539 6.870 40 0 IKABRN Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1 ZINC000409360109 557137470 /nfs/dbraw/zinc/13/74/70/557137470.db2.gz KVKMYHCHQNIUIU-UHFFFAOYSA-N 0 0 440.638 5.411 40 0 IKABRN Cc1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408726687 557137494 /nfs/dbraw/zinc/13/74/94/557137494.db2.gz SRICGJUINYDQCW-UHFFFAOYSA-N 0 0 443.550 7.075 40 0 IKABRN Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)c1 ZINC000408726737 557137518 /nfs/dbraw/zinc/13/75/18/557137518.db2.gz TXDQNXCVDMUBFZ-UHFFFAOYSA-N 0 0 443.550 7.075 40 0 IKABRN CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000409361871 557137544 /nfs/dbraw/zinc/13/75/44/557137544.db2.gz QCOJIFVBHVEXOA-UHFFFAOYSA-N 0 0 426.611 5.079 40 0 IKABRN Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)cc1 ZINC000409362545 557137551 /nfs/dbraw/zinc/13/75/51/557137551.db2.gz RHGSAZHNYRNEAK-UHFFFAOYSA-N 0 0 448.617 5.441 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000409361958 557137636 /nfs/dbraw/zinc/13/76/36/557137636.db2.gz RFGIHUNVIBHEJZ-UHFFFAOYSA-N 0 0 442.968 5.329 40 0 IKABRN CC(C)N(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(C)C ZINC000003457150 557137733 /nfs/dbraw/zinc/13/77/33/557137733.db2.gz UZHLGAXZCWFODO-UHFFFAOYSA-N 0 0 428.989 5.325 40 0 IKABRN COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000409361931 557137703 /nfs/dbraw/zinc/13/77/03/557137703.db2.gz RBQZRIWYCDYJBC-LPYMAVHISA-N 0 0 446.528 5.140 40 0 IKABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)C2CCCCC2)c(C)c1 ZINC000409367080 557137985 /nfs/dbraw/zinc/13/79/85/557137985.db2.gz DMTPYFJWYYUBGI-UHFFFAOYSA-N 0 0 449.016 5.227 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 ZINC000408725440 557137952 /nfs/dbraw/zinc/13/79/52/557137952.db2.gz PABUFHWUHJZLKO-UHFFFAOYSA-N 0 0 449.941 7.112 40 0 IKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409374948 557138507 /nfs/dbraw/zinc/13/85/07/557138507.db2.gz CAIVSQLSVPQYHZ-UHFFFAOYSA-N 0 0 429.347 6.185 40 0 IKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1C ZINC000216031541 557138708 /nfs/dbraw/zinc/13/87/08/557138708.db2.gz LRYPJTQRFPOGSQ-UHFFFAOYSA-N 0 0 438.336 5.303 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3)cc2Cl)cc1C ZINC000409375952 557138916 /nfs/dbraw/zinc/13/89/16/557138916.db2.gz RIHSITVVKORQHT-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409376183 557138957 /nfs/dbraw/zinc/13/89/57/557138957.db2.gz VORYMKFJURTXDW-UHFFFAOYSA-N 0 0 442.918 5.816 40 0 IKABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1 ZINC000103717689 557138958 /nfs/dbraw/zinc/13/89/58/557138958.db2.gz VYGDHRBBMITYPW-CYBMUJFWSA-N 0 0 440.849 5.139 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000216050756 557138976 /nfs/dbraw/zinc/13/89/76/557138976.db2.gz IMBXBVKJHHBSEQ-UHFFFAOYSA-N 0 0 427.744 5.471 40 0 IKABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O ZINC000103718962 557139315 /nfs/dbraw/zinc/13/93/15/557139315.db2.gz RNTXBPHCRXGCKW-LLVKDONJSA-N 0 0 431.241 5.312 40 0 IKABRN O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000021305938 557139379 /nfs/dbraw/zinc/13/93/79/557139379.db2.gz RYEWKJIENGJAMQ-IZZDOVSWSA-N 0 0 447.343 5.446 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557177927 /nfs/dbraw/zinc/17/79/27/557177927.db2.gz BQNAMUZMWDLYNM-UHFFFAOYSA-N 0 0 438.984 6.022 40 0 IKABRN COc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1ccccc1F ZINC000022110055 557178222 /nfs/dbraw/zinc/17/82/22/557178222.db2.gz LNGYYLLJKICRSX-UHFFFAOYSA-N 0 0 436.512 5.078 40 0 IKABRN Cc1ccc(-c2nc(-c3noc4ccc(C(=O)N(C)Cc5ccccn5)cc43)cs2)cc1 ZINC000096154497 557178319 /nfs/dbraw/zinc/17/83/19/557178319.db2.gz WTBVMNBJOHPDOX-UHFFFAOYSA-N 0 0 440.528 5.594 40 0 IKABRN Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCc5ccncc5)cc43)cs2)cc1 ZINC000096154501 557178332 /nfs/dbraw/zinc/17/83/32/557178332.db2.gz JXHIAJZLFKJORY-UHFFFAOYSA-N 0 0 440.528 5.294 40 0 IKABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1ccccc1 ZINC000022110070 557178276 /nfs/dbraw/zinc/17/82/76/557178276.db2.gz DUQNUEAQALJGQE-UHFFFAOYSA-N 0 0 432.549 5.329 40 0 IKABRN COc1cccc(CNn2c(-c3ccccc3)n[nH]c2=S)c1OCc1ccc(F)cc1 ZINC000022110065 557178385 /nfs/dbraw/zinc/17/83/85/557178385.db2.gz SUFWSWJPKDOGAN-UHFFFAOYSA-N 0 0 436.512 5.078 40 0 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S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000022111369 557179086 /nfs/dbraw/zinc/17/90/86/557179086.db2.gz HXKHOSMTOWBRJY-UHFFFAOYSA-N 0 0 427.327 5.374 40 0 IKABRN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)c1 ZINC000008903850 557179190 /nfs/dbraw/zinc/17/91/90/557179190.db2.gz SNNPWGWEVQJGSH-UHFFFAOYSA-N 0 0 432.476 5.553 40 0 IKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 ZINC000008903705 557179222 /nfs/dbraw/zinc/17/92/22/557179222.db2.gz SOOYSXYLSPBBHX-UHFFFAOYSA-N 0 0 440.908 6.027 40 0 IKABRN S=c1[nH]ncn1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022111769 557179406 /nfs/dbraw/zinc/17/94/06/557179406.db2.gz AORRDEQFTPEVMW-UHFFFAOYSA-N 0 0 431.348 5.723 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000008904100 557179459 /nfs/dbraw/zinc/17/94/59/557179459.db2.gz KQZUSTCKSFMZJP-BMRADRMJSA-N 0 0 449.934 6.741 40 0 IKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000008904143 557179466 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O=C(NC(=S)Nc1ccccc1Br)c1cccc(OCc2ccccc2)c1 ZINC000009064631 557180816 /nfs/dbraw/zinc/18/08/16/557180816.db2.gz FMDXMAJJOPRNPU-UHFFFAOYSA-N 0 0 441.350 5.155 40 0 IKABRN Cc1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000009064740 557180853 /nfs/dbraw/zinc/18/08/53/557180853.db2.gz MKMFRVSPDUMTIY-WEVVVXLNSA-N 0 0 447.343 5.794 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000009064722 557180883 /nfs/dbraw/zinc/18/08/83/557180883.db2.gz VVTNIRKCEUZIPX-UHFFFAOYSA-N 0 0 447.585 5.716 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1cc(C)ccc1C ZINC000009064820 557181020 /nfs/dbraw/zinc/18/10/20/557181020.db2.gz PXVVDAFAKWCRLM-UHFFFAOYSA-N 0 0 443.366 5.355 40 0 IKABRN CC(C)n1cnc([C@H]2CN(Cc3ccccc3)c3ccc(C(=O)N4CCCC[C@@H]4C)cc32)n1 ZINC000096156372 557181070 /nfs/dbraw/zinc/18/10/70/557181070.db2.gz NFTGJEHPZSQUQW-RDPSFJRHSA-N 0 0 443.595 5.026 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1 ZINC000009064783 557181142 /nfs/dbraw/zinc/18/11/42/557181142.db2.gz JWBVKMVWODETBS-UHFFFAOYSA-N 0 0 442.540 5.458 40 0 IKABRN CC(C)n1cnc([C@@H]2CN(Cc3ccccc3)c3ccc(C(=O)N4CCCC[C@@H]4C)cc32)n1 ZINC000096156370 557181104 /nfs/dbraw/zinc/18/11/04/557181104.db2.gz NFTGJEHPZSQUQW-GBXCKJPGSA-N 0 0 443.595 5.026 40 0 IKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000009064962 557181416 /nfs/dbraw/zinc/18/14/16/557181416.db2.gz DPHMRFJOIYGYBE-UHFFFAOYSA-N 0 0 445.613 6.522 40 0 IKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccccc4)ccc3O)oc2c(C)c1 ZINC000009064909 557181537 /nfs/dbraw/zinc/18/15/37/557181537.db2.gz IWHRHACYWSYXNX-DHZHZOJOSA-N 0 0 443.528 5.344 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3)nc2c1 ZINC000009064979 557181549 /nfs/dbraw/zinc/18/15/49/557181549.db2.gz VUQPMGDZKYRHBE-MRXNPFEDSA-N 0 0 443.572 6.444 40 0 IKABRN O=C(Nc1c2nsnc2ccc1Cl)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000009190171 557182465 /nfs/dbraw/zinc/18/24/65/557182465.db2.gz BEIVDJOYNUDATG-UHFFFAOYSA-N 0 0 433.876 5.370 40 0 IKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000096235939 557185340 /nfs/dbraw/zinc/18/53/40/557185340.db2.gz ZUBWEBYCWRXQJR-SFHVURJKSA-N 0 0 434.323 5.168 40 0 IKABRN C[C@@H]1CCCN(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@H]3[C@H]2c2cccs2)C1 ZINC000097993241 557187482 /nfs/dbraw/zinc/18/74/82/557187482.db2.gz MZIWRSXHNVMYEY-IIJPFKEISA-N 0 0 439.650 5.665 40 0 IKABRN CC(C)c1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274139 557188157 /nfs/dbraw/zinc/18/81/57/557188157.db2.gz ZCQXOGCTWRUCRU-UHFFFAOYSA-N 0 0 442.968 5.297 40 0 IKABRN Cc1cccc(C)c1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000022274935 557189101 /nfs/dbraw/zinc/18/91/01/557189101.db2.gz VRTUSABGJXFVFH-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccc(C)cc2C)cc1 ZINC000022275366 557189324 /nfs/dbraw/zinc/18/93/24/557189324.db2.gz UBNWDJKWYNQQKW-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(Cl)cc2)cc1 ZINC000022276093 557189939 /nfs/dbraw/zinc/18/99/39/557189939.db2.gz BSJUNYUJKADRGX-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277015 557190496 /nfs/dbraw/zinc/19/04/96/557190496.db2.gz UBZCWVDDAJVTGV-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2cc(Cl)ccc2C)cc1 ZINC000022277593 557190947 /nfs/dbraw/zinc/19/09/47/557190947.db2.gz OUKROAVMTBHNKV-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022277455 557191157 /nfs/dbraw/zinc/19/11/57/557191157.db2.gz SQRTXRXTRWJATF-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN Cc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022277944 557191338 /nfs/dbraw/zinc/19/13/38/557191338.db2.gz KYJBJMOTUGRDLQ-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccc(C)c(Cl)c2)cc1 ZINC000022277941 557191387 /nfs/dbraw/zinc/19/13/87/557191387.db2.gz IXMVXSWSILCVSR-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN CCN(C(=O)c1cnc(-c2noc3cc(-c4ccncc4)ccc32)s1)C1CCCCC1 ZINC000096266566 557192482 /nfs/dbraw/zinc/19/24/82/557192482.db2.gz JZRLNQYTTQAPFH-UHFFFAOYSA-N 0 0 432.549 5.808 40 0 IKABRN COc1ccccc1C(=O)N1c2c(OC)cccc2-c2c(=S)ssc2C1(C)C ZINC000009926594 557194178 /nfs/dbraw/zinc/19/41/78/557194178.db2.gz WGCVMQBNKKNVLU-UHFFFAOYSA-N 0 0 429.588 6.119 40 0 IKABRN CCOc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000408771661 557195837 /nfs/dbraw/zinc/19/58/37/557195837.db2.gz JYRMBGWAHRWPLE-VWLOTQADSA-N 0 0 432.545 5.112 40 0 IKABRN CCOc1ccc(Br)cc1/C=C1\S[C@@H](Nc2ccc(CC)cc2)NC1=O ZINC000408775379 557197860 /nfs/dbraw/zinc/19/78/60/557197860.db2.gz PQXUPIRQDVMNFR-SQWSFHKJSA-N 0 0 433.371 5.010 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 ZINC000408777403 557200060 /nfs/dbraw/zinc/20/00/60/557200060.db2.gz ZWYJAHPAZZXCLV-SJJVXOANSA-N 0 0 430.573 5.736 40 0 IKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000010003545 557200226 /nfs/dbraw/zinc/20/02/26/557200226.db2.gz RZSDHZVCIVFVHE-UHFFFAOYSA-N 0 0 447.541 5.127 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)o2)c1 ZINC000010015519 557201154 /nfs/dbraw/zinc/20/11/54/557201154.db2.gz XQPNXVMVFKIIBU-UHFFFAOYSA-N 0 0 428.728 5.736 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000010040991 557201408 /nfs/dbraw/zinc/20/14/08/557201408.db2.gz RQKNTRVYNNSULG-HNNXBMFYSA-N 0 0 428.488 6.298 40 0 IKABRN Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000210198230 557203572 /nfs/dbraw/zinc/20/35/72/557203572.db2.gz XSAMJLDUMFZPQU-LPYMAVHISA-N 0 0 435.932 6.468 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)c1 ZINC000010112462 557204728 /nfs/dbraw/zinc/20/47/28/557204728.db2.gz FPUDJABSIRBANO-IBGZPJMESA-N 0 0 434.561 5.004 40 0 IKABRN O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000010112688 557205476 /nfs/dbraw/zinc/20/54/76/557205476.db2.gz BWNXOJVWEBFPPU-UHFFFAOYSA-N 0 0 438.401 6.228 40 0 IKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3)oc2c(Br)c1 ZINC000010119700 557206167 /nfs/dbraw/zinc/20/61/67/557206167.db2.gz LXFOIDGZNYIOEZ-UHFFFAOYSA-N 0 0 435.321 6.380 40 0 IKABRN COc1cc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc(OC)c1OC ZINC000010120160 557206406 /nfs/dbraw/zinc/20/64/06/557206406.db2.gz HJFWMXNQKQJOMA-UHFFFAOYSA-N 0 0 438.867 5.426 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120098 557206420 /nfs/dbraw/zinc/20/64/20/557206420.db2.gz PIPYVSNUCKPQFV-NTCAYCPXSA-N 0 0 438.458 6.470 40 0 IKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(OCc2ccccc2)cc1 ZINC000010120031 557206475 /nfs/dbraw/zinc/20/64/75/557206475.db2.gz GHQYZOWPEUIUJZ-UHFFFAOYSA-N 0 0 434.495 6.250 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1Cl ZINC000010120016 557206479 /nfs/dbraw/zinc/20/64/79/557206479.db2.gz OFAQQUNREPYMTQ-UHFFFAOYSA-N 0 0 427.287 5.986 40 0 IKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4cccc(Cl)c4Cl)cc3)oc2cc1C ZINC000010120315 557206698 /nfs/dbraw/zinc/20/66/98/557206698.db2.gz LSRSQABDXGRCGV-UHFFFAOYSA-N 0 0 425.315 6.348 40 0 IKABRN COc1cc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc(OC)c1OC ZINC000010120224 557206763 /nfs/dbraw/zinc/20/67/63/557206763.db2.gz CSUIIEOTNKUWET-UHFFFAOYSA-N 0 0 444.443 5.519 40 0 IKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4cc(Cl)ccc4Cl)cc3)oc2cc1C ZINC000010120318 557206769 /nfs/dbraw/zinc/20/67/69/557206769.db2.gz PNVADCSLMVAFRZ-UHFFFAOYSA-N 0 0 425.315 6.348 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)S2)cc1 ZINC000408783424 557206875 /nfs/dbraw/zinc/20/68/75/557206875.db2.gz LGAGBVMHSCDVSG-LWUPDDLQSA-N 0 0 434.536 5.567 40 0 IKABRN Cc1cc2nc(-c3ccc(CNC(=O)COc4ccc(Cl)c(C)c4)cc3)oc2cc1C ZINC000010120449 557206938 /nfs/dbraw/zinc/20/69/38/557206938.db2.gz VCWSIWZJPHIJPB-UHFFFAOYSA-N 0 0 434.923 5.769 40 0 IKABRN CCCCOc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000010120344 557206988 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ZINC000025586048 557217496 /nfs/dbraw/zinc/21/74/96/557217496.db2.gz NMNHSZRPCOBOLX-BGWNEDDSSA-N 0 0 433.548 5.100 40 0 IKABRN COc1ccc(Cl)cc1/C=C1\SC(Nc2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000408805550 557217907 /nfs/dbraw/zinc/21/79/07/557217907.db2.gz GPEJQIJMGMNRFS-BGFDVPSISA-N 0 0 442.004 6.403 40 0 IKABRN Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000010339154 557217914 /nfs/dbraw/zinc/21/79/14/557217914.db2.gz UWVPQLILKPCVGL-UHFFFAOYSA-N 0 0 428.941 5.021 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc(C)c1Br ZINC000218838204 557217919 /nfs/dbraw/zinc/21/79/19/557217919.db2.gz NKNYYEQCSIOOFD-UHFFFAOYSA-N 0 0 426.310 5.876 40 0 IKABRN COc1ccc(Cl)cc1/C=C1\SC(Nc2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408805553 557218032 /nfs/dbraw/zinc/21/80/32/557218032.db2.gz GPEJQIJMGMNRFS-ZIRSXLEASA-N 0 0 442.004 6.403 40 0 IKABRN Cc1cccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1C ZINC000010365233 557218186 /nfs/dbraw/zinc/21/81/86/557218186.db2.gz MUXVTKAORWDWDR-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/21/95/76/557219576.db2.gz ZOWKTYHBVHXNNT-UHFFFAOYSA-N 0 0 434.374 5.099 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)NCCCc2ccccc2Cl)c(Br)c1 ZINC000218882812 557219920 /nfs/dbraw/zinc/21/99/20/557219920.db2.gz FXDJYNHUIQRGGE-UHFFFAOYSA-N 0 0 438.793 5.528 40 0 IKABRN CCOc1ccccc1CCCNC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000218883865 557220016 /nfs/dbraw/zinc/22/00/16/557220016.db2.gz JANZFOQNBKIKBR-UHFFFAOYSA-N 0 0 448.401 5.273 40 0 IKABRN O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCCc2ccccc21 ZINC000010449470 557220003 /nfs/dbraw/zinc/22/00/03/557220003.db2.gz RUJLZXDDIGWJSD-AREMUKBSSA-N 0 0 428.557 5.054 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)c(C)c1 ZINC000218906155 557220630 /nfs/dbraw/zinc/22/06/30/557220630.db2.gz XETWQRSDNQFVIA-UHFFFAOYSA-N 0 0 442.309 5.105 40 0 IKABRN O=C(COc1ccc(Br)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000218942572 557221149 /nfs/dbraw/zinc/22/11/49/557221149.db2.gz OIPISLVMSAIZDD-UHFFFAOYSA-N 0 0 444.756 5.710 40 0 IKABRN Cc1c(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1C ZINC000408810313 557221528 /nfs/dbraw/zinc/22/15/28/557221528.db2.gz IPNKNKMUWUSJHP-NDDKWJIQSA-N 0 0 444.624 6.541 40 0 IKABRN O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000218977225 557221949 /nfs/dbraw/zinc/22/19/49/557221949.db2.gz HTAQIGNSHZUDQD-UHFFFAOYSA-N 0 0 440.465 5.247 40 0 IKABRN CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000218992353 557222605 /nfs/dbraw/zinc/22/26/05/557222605.db2.gz DVBXOZPXKZDQIK-QFIPXVFZSA-N 0 0 439.939 5.817 40 0 IKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(OC)c1 ZINC000408814582 557225744 /nfs/dbraw/zinc/22/57/44/557225744.db2.gz VTUCCLWFGFUEOP-KZCPSJLXSA-N 0 0 437.585 5.758 40 0 IKABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 ZINC000408814688 557225785 /nfs/dbraw/zinc/22/57/85/557225785.db2.gz PXZXJWQUFZXICG-UHFFFAOYSA-N 0 0 435.956 5.990 40 0 IKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000011116386 557227101 /nfs/dbraw/zinc/22/71/01/557227101.db2.gz WVXVIMMSLHDULY-SFTDATJTSA-N 0 0 427.957 5.165 40 0 IKABRN CC[C@H](NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O)c1ccc(C)cc1C ZINC000219163811 557229135 /nfs/dbraw/zinc/22/91/35/557229135.db2.gz NBPVDXHTJJQWRF-QHCPKHFHSA-N 0 0 448.588 5.055 40 0 IKABRN CC[C@H](NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O)c1ccc(C)c(C)c1 ZINC000219163629 557229152 /nfs/dbraw/zinc/22/91/52/557229152.db2.gz OUSDQQLNZDLFET-QHCPKHFHSA-N 0 0 448.588 5.055 40 0 IKABRN COc1ccc(-c2cccc(C(=O)N3CC[C@@H](Cc4cnc5ccccc5c4)C3)c2C)cc1 ZINC000585294155 557233798 /nfs/dbraw/zinc/23/37/98/557233798.db2.gz RMBAVDWVQUNYSU-NRFANRHFSA-N 0 0 436.555 5.924 40 0 IKABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000219264941 557234183 /nfs/dbraw/zinc/23/41/83/557234183.db2.gz GYCIDMNXXAEPQI-UHFFFAOYSA-N 0 0 433.573 6.431 40 0 IKABRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000408820661 557234575 /nfs/dbraw/zinc/23/45/75/557234575.db2.gz XVSRLUZNZFAYPK-NVNXTCNLSA-N 0 0 428.724 5.892 40 0 IKABRN CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(C)cc1 ZINC000408821099 557235214 /nfs/dbraw/zinc/23/52/14/557235214.db2.gz CLCYDQBPEFNQFH-UHFFFAOYSA-N 0 0 426.585 6.842 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3C)o2)cc1Cl ZINC000026124224 557235592 /nfs/dbraw/zinc/23/55/92/557235592.db2.gz GVOHSELKYQGLBP-UHFFFAOYSA-N 0 0 442.906 6.203 40 0 IKABRN CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(OC)cc1 ZINC000408822031 557236169 /nfs/dbraw/zinc/23/61/69/557236169.db2.gz ADXDFVIPTKSXGB-UHFFFAOYSA-N 0 0 431.355 5.786 40 0 IKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccccc1 ZINC000408821968 557237101 /nfs/dbraw/zinc/23/71/01/557237101.db2.gz AXQSRRFZDGCHQE-UHFFFAOYSA-N 0 0 432.548 7.396 40 0 IKABRN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000012177305 557238505 /nfs/dbraw/zinc/23/85/05/557238505.db2.gz KSBMFLJKJLCXAG-UHFFFAOYSA-N 0 0 443.834 5.148 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057317002 557240272 /nfs/dbraw/zinc/24/02/72/557240272.db2.gz FBXCHIORCSZIHE-UHFFFAOYSA-N 0 0 442.353 5.702 40 0 IKABRN CCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000057317038 557240499 /nfs/dbraw/zinc/24/04/99/557240499.db2.gz FOMRJJHPXSNJMP-UHFFFAOYSA-N 0 0 434.717 5.691 40 0 IKABRN CCCCOc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 ZINC000057317324 557241091 /nfs/dbraw/zinc/24/10/91/557241091.db2.gz DAKCGAYINMYAOL-UHFFFAOYSA-N 0 0 444.856 5.038 40 0 IKABRN O=C(c1cc(Cl)ccc1Cl)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317245 557241105 /nfs/dbraw/zinc/24/11/05/557241105.db2.gz AVYZYUWWNSNQJZ-UHFFFAOYSA-N 0 0 441.639 5.166 40 0 IKABRN O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000057333526 557241643 /nfs/dbraw/zinc/24/16/43/557241643.db2.gz PUJQTLOJKJZBAF-UHFFFAOYSA-N 0 0 435.483 5.399 40 0 IKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000057313158 557244201 /nfs/dbraw/zinc/24/42/01/557244201.db2.gz BHTRQEVZIBKNAE-UHFFFAOYSA-N 0 0 425.326 5.231 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000057313260 557244392 /nfs/dbraw/zinc/24/43/92/557244392.db2.gz DUSYLEOPJUZWDO-UHFFFAOYSA-N 0 0 436.577 6.094 40 0 IKABRN Cc1nc2ccc(C(=O)NC[C@@H]3CC[C@@H](c4nnc(-c5ccc(C)nc5)o4)CC3)cc2s1 ZINC000100155945 557244440 /nfs/dbraw/zinc/24/44/40/557244440.db2.gz FZZRWRMJUTWRQG-CALCHBBNSA-N 0 0 447.564 5.062 40 0 IKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 ZINC000408828187 557244460 /nfs/dbraw/zinc/24/44/60/557244460.db2.gz DELPXWSOULKJLR-UHFFFAOYSA-N 0 0 425.340 7.036 40 0 IKABRN CC(C)c1ccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cc1 ZINC000057313428 557244529 /nfs/dbraw/zinc/24/45/29/557244529.db2.gz BUOXDEHJKIENCM-UHFFFAOYSA-N 0 0 428.985 6.459 40 0 IKABRN CCC(=O)Nc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2s1 ZINC000057313542 557244591 /nfs/dbraw/zinc/24/45/91/557244591.db2.gz BGAZSDGFUAPQMM-JTQLQIEISA-N 0 0 438.336 5.358 40 0 IKABRN Cc1nnc2sc(-c3ccccc3NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)nn12 ZINC000057313357 557244613 /nfs/dbraw/zinc/24/46/13/557244613.db2.gz ZRHWLPSPSYEGRV-UHFFFAOYSA-N 0 0 449.580 5.255 40 0 IKABRN Cc1nc2ccc(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)cc2s1 ZINC000100156315 557244710 /nfs/dbraw/zinc/24/47/10/557244710.db2.gz IYCAEXBCMMWXCS-GASCZTMLSA-N 0 0 438.578 5.420 40 0 IKABRN CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(C)c(C)c1 ZINC000408828504 557244786 /nfs/dbraw/zinc/24/47/86/557244786.db2.gz MPYOYNCDHJOYIF-UHFFFAOYSA-N 0 0 429.383 6.394 40 0 IKABRN Cc1cc2ccccc2n1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000100156413 557244971 /nfs/dbraw/zinc/24/49/71/557244971.db2.gz TUPYQRSJGBRGOI-HDICACEKSA-N 0 0 434.565 5.151 40 0 IKABRN COc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c2ccccc12 ZINC000100156324 557245011 /nfs/dbraw/zinc/24/50/11/557245011.db2.gz SZDFAYPEPDIBQX-CALCHBBNSA-N 0 0 447.560 5.664 40 0 IKABRN COc1cc2sc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)nc2cc1Cl ZINC000057313915 557245115 /nfs/dbraw/zinc/24/51/15/557245115.db2.gz UBRQWLJOGNYNNY-UHFFFAOYSA-N 0 0 432.973 6.052 40 0 IKABRN CCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2s1 ZINC000057313864 557245159 /nfs/dbraw/zinc/24/51/59/557245159.db2.gz ITKHHDAAQRLDIZ-UHFFFAOYSA-N 0 0 437.565 5.710 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000057314142 557245230 /nfs/dbraw/zinc/24/52/30/557245230.db2.gz YDZRWEHCDJXGSK-JQIJEIRASA-N 0 0 448.526 6.203 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cc2ccncc2)cc1 ZINC000057314102 557245236 /nfs/dbraw/zinc/24/52/36/557245236.db2.gz MYDLEWZVKDRBSB-ACCUITESSA-N 0 0 439.540 5.459 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccccc2I)cc1 ZINC000057313958 557245247 /nfs/dbraw/zinc/24/52/47/557245247.db2.gz LHCZRYITCLRTEY-UHFFFAOYSA-N 0 0 437.321 5.385 40 0 IKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1Cl ZINC000057313996 557245262 /nfs/dbraw/zinc/24/52/62/557245262.db2.gz WKPKDLYJZKPFHR-UHFFFAOYSA-N 0 0 447.554 5.661 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NCc1ccc(-c2nc3ccccc3s2)cc1 ZINC000057315718 557245424 /nfs/dbraw/zinc/24/54/24/557245424.db2.gz FZLAIDIRHIGWCU-BMRADRMJSA-N 0 0 436.536 6.553 40 0 IKABRN Cc1cc(NC(=O)CSc2ccc(Cl)cc2)cc(C)c1I ZINC000057315725 557245510 /nfs/dbraw/zinc/24/55/10/557245510.db2.gz HAQAWVUBRZHMCH-UHFFFAOYSA-N 0 0 431.726 5.292 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(NC(=O)c2ccco2)ccc1C ZINC000057316121 557246002 /nfs/dbraw/zinc/24/60/02/557246002.db2.gz XSPIZOQQIVWXLV-SOFGYWHQSA-N 0 0 445.302 5.808 40 0 IKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C(N)=O)C1 ZINC000057316064 557246100 /nfs/dbraw/zinc/24/61/00/557246100.db2.gz IHPVZDOPLLTSPJ-WKOYGUFESA-N 0 0 448.588 5.910 40 0 IKABRN CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000408831233 557247438 /nfs/dbraw/zinc/24/74/38/557247438.db2.gz QGKPLFNZSYUHCW-UHFFFAOYSA-N 0 0 447.003 7.187 40 0 IKABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc43)o2)CC1)c1cccc(F)c1F ZINC000100219454 557248699 /nfs/dbraw/zinc/24/86/99/557248699.db2.gz GAEJCUDBUAXDEQ-WOVMCDHWSA-N 0 0 448.473 5.267 40 0 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/nfs/dbraw/zinc/25/32/72/557253272.db2.gz WZMJTTRKINOCCE-UHFFFAOYSA-N 0 0 431.355 5.786 40 0 IKABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N(Cc1ccco1)Cc1cccs1 ZINC000057614135 557255352 /nfs/dbraw/zinc/25/53/52/557255352.db2.gz KFNUXOPRMHDDEF-JOCHJYFZSA-N 0 0 435.597 5.573 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc(C)c1Cl ZINC000040913290 557256230 /nfs/dbraw/zinc/25/62/30/557256230.db2.gz SSXURFAKOGDECF-INIZCTEOSA-N 0 0 442.342 6.247 40 0 IKABRN COc1cc2c(cc1NC(=O)[C@@H]1C(c3ccccc3Cl)=NO[C@H]1C)oc1ccccc12 ZINC000100281905 557256519 /nfs/dbraw/zinc/25/65/19/557256519.db2.gz ISEJCPCYDHLLGM-XMHCIUCPSA-N 0 0 434.879 5.626 40 0 IKABRN COc1cc2c(cc1NC(=O)[C@H]1C(c3ccccc3Cl)=NO[C@H]1C)oc1ccccc12 ZINC000100281910 557256552 /nfs/dbraw/zinc/25/65/52/557256552.db2.gz ISEJCPCYDHLLGM-WHEQGISXSA-N 0 0 434.879 5.626 40 0 IKABRN Cc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1C ZINC000057740346 557257609 /nfs/dbraw/zinc/25/76/09/557257609.db2.gz PSRBFDXXBLLAKP-UHFFFAOYSA-N 0 0 443.528 5.209 40 0 IKABRN CCOc1ccc(C(=O)CSc2nnc(-c3ccsc3)c(-c3ccsc3)n2)cc1 ZINC000057742476 557257864 /nfs/dbraw/zinc/25/78/64/557257864.db2.gz ZROAVDCKACJHDC-UHFFFAOYSA-N 0 0 439.587 5.702 40 0 IKABRN Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(Br)cc1 ZINC000040968273 557258980 /nfs/dbraw/zinc/25/89/80/557258980.db2.gz RZVJZOCCOOXFSI-UHFFFAOYSA-N 0 0 442.165 6.440 40 0 IKABRN O=C(c1cccs1)N(C(=O)c1cccs1)c1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000057728908 557259222 /nfs/dbraw/zinc/25/92/22/557259222.db2.gz WPGOEBFJXWHTBE-UHFFFAOYSA-N 0 0 448.485 5.002 40 0 IKABRN O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1cc(Br)ccc1O ZINC000408839571 557260063 /nfs/dbraw/zinc/26/00/63/557260063.db2.gz ULYQAJGZQREBCB-XYOKQWHBSA-N 0 0 434.698 5.367 40 0 IKABRN Cn1ccnc1-c1cnc(N2CCC(Cc3ccccc3)CC2)nc1-c1ccc(Cl)cc1 ZINC000057761994 557261900 /nfs/dbraw/zinc/26/19/00/557261900.db2.gz NLEZEHFOHJOKIG-UHFFFAOYSA-N 0 0 443.982 5.657 40 0 IKABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000219676079 557262154 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IKABRN CC(C)(C)[C@@H]1CCc2nc(-c3cccnc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 ZINC000057774940 557264770 /nfs/dbraw/zinc/26/47/70/557264770.db2.gz VLODOZCTGHCFQP-MRXNPFEDSA-N 0 0 426.486 6.452 40 0 IKABRN CCOc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000408843396 557264831 /nfs/dbraw/zinc/26/48/31/557264831.db2.gz MEFRXLQAYZHHFA-IBCOTZFFSA-N 0 0 439.467 5.314 40 0 IKABRN Cc1ccc(Cl)cc1Nc1nc(-c2ccncc2)nc2c1CN(C(=O)C(C)(C)C)CC2 ZINC000057775065 557265034 /nfs/dbraw/zinc/26/50/34/557265034.db2.gz NJFBHUFMPLAEDJ-UHFFFAOYSA-N 0 0 435.959 5.175 40 0 IKABRN Clc1cc(Cl)cc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn32)c1 ZINC000027586067 557266897 /nfs/dbraw/zinc/26/68/97/557266897.db2.gz UTERVPXKNKPXNT-UHFFFAOYSA-N 0 0 431.326 7.114 40 0 IKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219764449 557267452 /nfs/dbraw/zinc/26/74/52/557267452.db2.gz CLAQVFBXPHPALT-QGZVFWFLSA-N 0 0 436.939 5.700 40 0 IKABRN COc1cc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)ccc1OC(C)C ZINC000219768018 557267815 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COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)c1 ZINC000013025828 557269275 /nfs/dbraw/zinc/26/92/75/557269275.db2.gz BNIIPVZHDUUOMJ-RUZDIDTESA-N 0 0 446.547 5.039 40 0 IKABRN O=C(COc1ccc(I)cc1)Nc1ccccc1Oc1ccccc1 ZINC000219832801 557269424 /nfs/dbraw/zinc/26/94/24/557269424.db2.gz VNTWDTVFWJAIOR-UHFFFAOYSA-N 0 0 445.256 5.101 40 0 IKABRN Cc1cccc(CSCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000219838142 557269712 /nfs/dbraw/zinc/26/97/12/557269712.db2.gz HDZBOKXWVUADIV-UHFFFAOYSA-N 0 0 425.981 5.891 40 0 IKABRN O=C(NCCSCc1ccccc1Cl)c1cccc(OCc2ccccc2Cl)c1 ZINC000219837505 557269741 /nfs/dbraw/zinc/26/97/41/557269741.db2.gz ZPGQYXOFVSBFNF-UHFFFAOYSA-N 0 0 446.399 6.236 40 0 IKABRN CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 ZINC000013026721 557269812 /nfs/dbraw/zinc/26/98/12/557269812.db2.gz GINKZWJWVLSHFS-VWLOTQADSA-N 0 0 448.538 5.989 40 0 IKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)cc1 ZINC000013026663 557269847 /nfs/dbraw/zinc/26/98/47/557269847.db2.gz KLKAAWIABXSTRJ-XMMPIXPASA-N 0 0 432.520 5.044 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)c2ccco2)cc1 ZINC000013026753 557269851 /nfs/dbraw/zinc/26/98/51/557269851.db2.gz RJJHQKZGRRVNMR-VWLOTQADSA-N 0 0 434.580 5.721 40 0 IKABRN CCCOc1ccccc1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000219846375 557269969 /nfs/dbraw/zinc/26/99/69/557269969.db2.gz PDRHJHPCNBGVSF-UHFFFAOYSA-N 0 0 437.967 6.070 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1Cl ZINC000219846229 557270019 /nfs/dbraw/zinc/27/00/19/557270019.db2.gz VRJJVPVYKLDFJB-UHFFFAOYSA-N 0 0 444.314 6.001 40 0 IKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000219844109 557270052 /nfs/dbraw/zinc/27/00/52/557270052.db2.gz JGBATDOTJKCJFQ-UHFFFAOYSA-N 0 0 441.914 6.402 40 0 IKABRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013026920 557270103 /nfs/dbraw/zinc/27/01/03/557270103.db2.gz WHIZSLNRYPQTQO-XMMPIXPASA-N 0 0 432.520 5.044 40 0 IKABRN COc1ccccc1CN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000013026864 557270140 /nfs/dbraw/zinc/27/01/40/557270140.db2.gz KWXALXYSWKQGDZ-RUZDIDTESA-N 0 0 446.547 5.039 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1ccccc1)N(Cc1ccccc1Cl)C(=O)c1ccco1 ZINC000013026958 557270156 /nfs/dbraw/zinc/27/01/56/557270156.db2.gz XZRAEFPGGGCGHC-HSZRJFAPSA-N 0 0 436.939 5.376 40 0 IKABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013026922 557270214 /nfs/dbraw/zinc/27/02/14/557270214.db2.gz WHIZSLNRYPQTQO-DEOSSOPVSA-N 0 0 432.520 5.044 40 0 IKABRN CCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013026994 557270458 /nfs/dbraw/zinc/27/04/58/557270458.db2.gz BJPAYZRKTVBJBB-XMMPIXPASA-N 0 0 432.520 5.125 40 0 IKABRN Cc1oc(C2CC2)cc1C(=O)NC[C@@H]1CC[C@@H](c2nc(C)ncc2-c2ccncc2C)CC1 ZINC000100739149 557273683 /nfs/dbraw/zinc/27/36/83/557273683.db2.gz MJNQLUINYIHYBR-TYKWCNGQSA-N 0 0 444.579 5.638 40 0 IKABRN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)cc1C 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CCCCc1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000220434714 557294978 /nfs/dbraw/zinc/29/49/78/557294978.db2.gz LXQZCXFSYWLWRJ-AWEZNQCLSA-N 0 0 443.396 5.129 40 0 IKABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220575243 557301271 /nfs/dbraw/zinc/30/12/71/557301271.db2.gz FTKVHVVHEXMUDV-XXBNENTESA-N 0 0 444.641 5.023 40 0 IKABRN CCCc1cc(=O)[nH]c(SCc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)n1 ZINC000032117962 557303064 /nfs/dbraw/zinc/30/30/64/557303064.db2.gz IOGGGQLWDSFMLU-UHFFFAOYSA-N 0 0 427.957 5.229 40 0 biogenic,in-vitro IKABRN CCCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@@H](C)[C@H]2CC)cc1 ZINC000102674131 557305215 /nfs/dbraw/zinc/30/52/15/557305215.db2.gz LSVVQGOVNUXOAF-OEQAEZTDSA-N 0 0 426.604 7.258 40 0 IKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 ZINC000102681266 557305485 /nfs/dbraw/zinc/30/54/85/557305485.db2.gz SMNNPRYAEDCRGM-VTERFDHCSA-N 0 0 447.531 5.964 40 0 IKABRN O=C(/C=C\c1ccccc1)N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000013305792 557306432 /nfs/dbraw/zinc/30/64/32/557306432.db2.gz WVOIEORSEWMOPI-BCTQVIJGSA-N 0 0 449.559 5.354 40 0 IKABRN O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2cccc3ccccc32)S1 ZINC000113833339 557307252 /nfs/dbraw/zinc/30/72/52/557307252.db2.gz IQXRGJIWSCELFI-YBFXNURJSA-N 0 0 440.318 5.505 40 0 IKABRN O=C1S/C(=C/c2ccccc2OCc2cccc3ccccc32)C(=O)N1c1ccccc1 ZINC000113833761 557307304 /nfs/dbraw/zinc/30/73/04/557307304.db2.gz LLFRJAOADCPYIW-KOEQRZSOSA-N 0 0 437.520 6.660 40 0 IKABRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)c(Br)c1 ZINC000113836877 557307629 /nfs/dbraw/zinc/30/76/29/557307629.db2.gz QXXPSIHDXHPFBO-XDHOZWIPSA-N 0 0 440.318 6.258 40 0 IKABRN CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220695214 557307666 /nfs/dbraw/zinc/30/76/66/557307666.db2.gz JIRJLRNHDDZFSX-SFHVURJKSA-N 0 0 443.396 5.102 40 0 IKABRN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220699708 557308231 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5.174 40 0 IKABRN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(c1ccccc1)C(C)C ZINC000032604138 557314038 /nfs/dbraw/zinc/31/40/38/557314038.db2.gz FUWZCVCNQUTDII-UHFFFAOYSA-N 0 0 444.988 5.064 40 0 IKABRN Cc1cc(Br)ccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000023513837 557316124 /nfs/dbraw/zinc/31/61/24/557316124.db2.gz OWVDAGYETLGVFU-UHFFFAOYSA-N 0 0 438.321 5.071 40 0 IKABRN Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c(C)c1 ZINC000103545088 557316183 /nfs/dbraw/zinc/31/61/83/557316183.db2.gz WBRGAOWHLPIUNX-MHZLTWQESA-N 0 0 441.531 6.165 40 0 IKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@H]2c1cccs1 ZINC000103545159 557316218 /nfs/dbraw/zinc/31/62/18/557316218.db2.gz QGRAFOMXAPFTCS-QHCPKHFHSA-N 0 0 447.560 6.517 40 0 IKABRN CCN1c2ccc3ccccc3c2S/C1=C\C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000013452413 557321624 /nfs/dbraw/zinc/32/16/24/557321624.db2.gz JSZSMOVLTGWMPR-SXDNLVMGSA-N 0 0 430.554 6.397 40 0 IKABRN CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000104231302 557322716 /nfs/dbraw/zinc/32/27/16/557322716.db2.gz DHEXALBAPGFFLQ-SANMLTNESA-N 0 0 447.579 5.487 40 0 IKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@@H]2c1ccco1 ZINC000104231412 557322797 /nfs/dbraw/zinc/32/27/97/557322797.db2.gz ZYDHYVMQETZOQF-RUZDIDTESA-N 0 0 433.552 5.604 40 0 IKABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2c(OCCC)ccc3ccccc32)C1=O ZINC000409201985 557322832 /nfs/dbraw/zinc/32/28/32/557322832.db2.gz PPMOYRWOWSTPFX-ZHZULCJRSA-N 0 0 427.522 5.008 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1cccc(Cl)c1 ZINC000104232241 557322984 /nfs/dbraw/zinc/32/29/84/557322984.db2.gz IGGWYLJOLAKAQG-RUZDIDTESA-N 0 0 447.922 6.202 40 0 IKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@H]2c1cccs1 ZINC000104231998 557322997 /nfs/dbraw/zinc/32/29/97/557322997.db2.gz ZLZWEODHAAVKMT-QFIPXVFZSA-N 0 0 434.586 6.916 40 0 IKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@@H]2c1cccs1 ZINC000104231930 557323016 /nfs/dbraw/zinc/32/30/16/557323016.db2.gz AKGIWLYFKAJHPL-XMMPIXPASA-N 0 0 443.572 7.246 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1cccc(Cl)c1 ZINC000104232237 557323067 /nfs/dbraw/zinc/32/30/67/557323067.db2.gz IGGWYLJOLAKAQG-VWLOTQADSA-N 0 0 447.922 6.202 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccc(Cl)cc1 ZINC000104231844 557323077 /nfs/dbraw/zinc/32/30/77/557323077.db2.gz KTVXJYCRFJMFCL-VWLOTQADSA-N 0 0 447.922 6.202 40 0 IKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NCc1ccc(F)cc1 ZINC000104231767 557323092 /nfs/dbraw/zinc/32/30/92/557323092.db2.gz PXAJBASZZHTCPF-AREMUKBSSA-N 0 0 445.494 5.365 40 0 IKABRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000013426348 557323544 /nfs/dbraw/zinc/32/35/44/557323544.db2.gz NAHSPFVPZUIBTN-LSDHHAIUSA-N 0 0 431.483 5.520 40 0 IKABRN Cc1cccc(CCN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013496053 557326418 /nfs/dbraw/zinc/32/64/18/557326418.db2.gz IFAXKEYHCAFCRV-VWLOTQADSA-N 0 0 446.616 5.542 40 0 IKABRN Cc1ccccc1C(=O)c1c(NC(=O)CN2CCc3ccccc3C2)sc2c1CCCC2 ZINC000013496089 557326428 /nfs/dbraw/zinc/32/64/28/557326428.db2.gz BSXOIUKASNXXBF-UHFFFAOYSA-N 0 0 444.600 5.163 40 0 IKABRN Cc1ccc(C(=O)c2c(NC(=O)CN3CCc4ccccc4C3)sc3c2CCCC3)cc1 ZINC000013496085 557326432 /nfs/dbraw/zinc/32/64/32/557326432.db2.gz VMIKDOZJALBBAT-UHFFFAOYSA-N 0 0 444.600 5.163 40 0 IKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2cccs2)o1 ZINC000013497361 557327084 /nfs/dbraw/zinc/32/70/84/557327084.db2.gz CKEKBICVGJCDKG-HSZRJFAPSA-N 0 0 436.577 5.482 40 0 IKABRN O=C(Cc1cccs1)N(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498142 557327256 /nfs/dbraw/zinc/32/72/56/557327256.db2.gz YDDAXCBKZBBAGF-DEOSSOPVSA-N 0 0 436.552 5.263 40 0 IKABRN COc1ccc(N2Cc3c(C)nn(-c4ccccc4)c3Nc3nc4ccccc4nc32)cc1 ZINC000104569465 557327363 /nfs/dbraw/zinc/32/73/63/557327363.db2.gz UVZFRPJLFIMASO-UHFFFAOYSA-N 0 0 434.503 5.528 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1 ZINC000013498298 557327602 /nfs/dbraw/zinc/32/76/02/557327602.db2.gz PRNOBTWELDKRJP-SANMLTNESA-N 0 0 446.616 5.428 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)cc1 ZINC000013498336 557327611 /nfs/dbraw/zinc/32/76/11/557327611.db2.gz FCJKZLXJFKAJKG-VWLOTQADSA-N 0 0 432.589 5.432 40 0 IKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(F)cc4)n21)CC[C@@H](C)C3 ZINC000013499788 557328795 /nfs/dbraw/zinc/32/87/95/557328795.db2.gz NIYCQONFMOTROQ-GFCCVEGCSA-N 0 0 440.569 5.140 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4cc(C)ccc4C)nnc3c2c1C ZINC000013499967 557329559 /nfs/dbraw/zinc/32/95/59/557329559.db2.gz BOYROQRJOAZZCX-UHFFFAOYSA-N 0 0 439.610 5.427 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)c4c[nH]c5ccccc54)nnc3c2c1C ZINC000013499966 557329638 /nfs/dbraw/zinc/32/96/38/557329638.db2.gz URIGKBYTXCGCSO-UHFFFAOYSA-N 0 0 435.578 5.536 40 0 IKABRN COc1ccc(C(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)cc1 ZINC000013499990 557329675 /nfs/dbraw/zinc/32/96/75/557329675.db2.gz PDZFNPXOLAIPNG-UHFFFAOYSA-N 0 0 426.567 5.063 40 0 IKABRN CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409216044 557330480 /nfs/dbraw/zinc/33/04/80/557330480.db2.gz DLLHRWAFAMIVAZ-OVCLIPMQSA-N 0 0 428.724 6.286 40 0 IKABRN CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3)c2C)n1Cc1cccc(Cl)c1 ZINC000013509824 557331645 /nfs/dbraw/zinc/33/16/45/557331645.db2.gz GQCDWKQRXVDCMN-UHFFFAOYSA-N 0 0 447.970 6.428 40 0 IKABRN CCC(C)(C)C(=O)[C@H]1[C@@](C)(c2ccccc2)CC(c2ccccc2)=C[C@@]1(O)C(C)(C)CC ZINC000013510308 557331924 /nfs/dbraw/zinc/33/19/24/557331924.db2.gz JYXYBEIHSGHFQN-LQJQRVQGSA-N 0 0 432.648 7.220 40 0 IKABRN O=C(C1CCCCC1)N(CCc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000013511193 557332323 /nfs/dbraw/zinc/33/23/23/557332323.db2.gz ULNUPJQINZLYHV-UHFFFAOYSA-N 0 0 449.620 5.015 40 0 IKABRN Cc1occc1-c1nnc(SCC(=O)Nc2c(C)cccc2C)n1-c1ccc(F)cc1 ZINC000013512068 557332786 /nfs/dbraw/zinc/33/27/86/557332786.db2.gz QMRHAVDJSZSFKG-UHFFFAOYSA-N 0 0 436.512 5.322 40 0 IKABRN COc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccoc2C)cc1 ZINC000013512079 557332834 /nfs/dbraw/zinc/33/28/34/557332834.db2.gz BAHRAONNLQTGRL-UHFFFAOYSA-N 0 0 448.548 5.192 40 0 IKABRN CCCCOc1ccc2ccccc2c1C=C1SC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000409218203 557333190 /nfs/dbraw/zinc/33/31/90/557333190.db2.gz DJOKLUWMHCVVRD-JLPGSUDCSA-N 0 0 445.540 5.938 40 0 IKABRN Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(Cl)cc4)nsc32)c(C)c1 ZINC000013512658 557333607 /nfs/dbraw/zinc/33/36/07/557333607.db2.gz YHPZYEQUEGAUSV-UHFFFAOYSA-N 0 0 440.981 5.754 40 0 IKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)c1 ZINC000024878047 557334488 /nfs/dbraw/zinc/33/44/88/557334488.db2.gz QUOGXJBZJPQHKO-UHFFFAOYSA-N 0 0 443.576 5.294 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3F)cc2c1 ZINC000013513900 557334976 /nfs/dbraw/zinc/33/49/76/557334976.db2.gz ZYNLRFMBLZWBPW-UHFFFAOYSA-N 0 0 447.941 6.878 40 0 IKABRN Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2cc3cc(C)cc(C)c3nc2Cl)cc1 ZINC000013513897 557335002 /nfs/dbraw/zinc/33/50/02/557335002.db2.gz QKPYROGMXADMQR-UHFFFAOYSA-N 0 0 443.978 7.048 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)cc2c1 ZINC000013513934 557335011 /nfs/dbraw/zinc/33/50/11/557335011.db2.gz ZBXGWMMQZFACIC-UHFFFAOYSA-N 0 0 442.390 7.135 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409234338 557335961 /nfs/dbraw/zinc/33/59/61/557335961.db2.gz VQTUYIVTYWKDAL-LICLKQGHSA-N 0 0 440.323 6.158 40 0 IKABRN CC(C)c1ccc(NC(=O)CCCN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000222379590 557336508 /nfs/dbraw/zinc/33/65/08/557336508.db2.gz LEXUVHCITYIHID-UHFFFAOYSA-N 0 0 443.396 5.302 40 0 IKABRN COc1ccc(C2=N/C(=C/c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)C(=O)O2)cc1 ZINC000013534062 557336649 /nfs/dbraw/zinc/33/66/49/557336649.db2.gz UQULZWFANSFHRG-WOJGMQOQSA-N 0 0 447.796 5.972 40 0 IKABRN CCCCc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1 ZINC000013502041 557337124 /nfs/dbraw/zinc/33/71/24/557337124.db2.gz XBPLFNXXDXHRBP-UHFFFAOYSA-N 0 0 447.970 6.428 40 0 IKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccccn1)c1ccc(F)cc1 ZINC000013502135 557337339 /nfs/dbraw/zinc/33/73/39/557337339.db2.gz QXPNDBGICCLKKO-XMMPIXPASA-N 0 0 449.501 5.197 40 0 IKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(Cc1ccccc1)C(=O)c1ccccn1 ZINC000013502134 557337355 /nfs/dbraw/zinc/33/73/55/557337355.db2.gz CLRQLFWAMDMZPW-VWLOTQADSA-N 0 0 445.538 5.053 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(F)c2)cc1 ZINC000013502395 557337374 /nfs/dbraw/zinc/33/73/74/557337374.db2.gz MWQWXKYOQVELAH-VWLOTQADSA-N 0 0 445.538 5.366 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(F)cc2)cc1 ZINC000013502393 557337383 /nfs/dbraw/zinc/33/73/83/557337383.db2.gz ADZALPUICKMLFS-VWLOTQADSA-N 0 0 445.538 5.366 40 0 IKABRN COc1ccc(CNC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1 ZINC000013502684 557337641 /nfs/dbraw/zinc/33/76/41/557337641.db2.gz AMIGAFYZJZDELO-UHFFFAOYSA-N 0 0 428.557 5.243 40 0 IKABRN CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1 ZINC000013502681 557337674 /nfs/dbraw/zinc/33/76/74/557337674.db2.gz HOKWSSDPQLIAAD-UHFFFAOYSA-N 0 0 426.541 5.759 40 0 IKABRN CCOc1cc(NC(=O)c2ccccc2Cl)c(OCC)cc1NC(=O)c1ccccn1 ZINC000013502710 557337904 /nfs/dbraw/zinc/33/79/04/557337904.db2.gz PYSGJFCVJAEOCY-UHFFFAOYSA-N 0 0 439.899 5.037 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222395931 557337964 /nfs/dbraw/zinc/33/79/64/557337964.db2.gz JAZLXFPQTWNULL-QHCPKHFHSA-N 0 0 445.003 5.139 40 0 IKABRN COc1ccc2nc3sc(C(=O)Nc4ccccc4Br)c(N)c3cc2c1 ZINC000013503433 557338149 /nfs/dbraw/zinc/33/81/49/557338149.db2.gz YJBQNNHFHBNKSB-UHFFFAOYSA-N 0 0 428.311 5.055 40 0 IKABRN COc1ccc(-c2ccc(C3=NNC(c4cccnc4)=Nc4ccc(C(C)C)cc43)cc2)cc1 ZINC000013503422 557338206 /nfs/dbraw/zinc/33/82/06/557338206.db2.gz JCBPIPUQAXOHFH-UHFFFAOYSA-N 0 0 446.554 6.315 40 0 IKABRN CCCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OC(F)(F)F)cc32)cc1 ZINC000013503425 557338236 /nfs/dbraw/zinc/33/82/36/557338236.db2.gz YWDHMRSZOWPXHD-UHFFFAOYSA-N 0 0 445.466 5.869 40 0 IKABRN Cc1occc1C(=O)N(c1ccccc1)[C@@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000013503535 557338521 /nfs/dbraw/zinc/33/85/21/557338521.db2.gz ZHNAYRMQDASAOI-RUZDIDTESA-N 0 0 442.490 5.432 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc21 ZINC000222407819 557338665 /nfs/dbraw/zinc/33/86/65/557338665.db2.gz HVKRYKXIKHUHTB-SANMLTNESA-N 0 0 430.592 5.413 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C ZINC000222409771 557338679 /nfs/dbraw/zinc/33/86/79/557338679.db2.gz KJVLQPPXGCSHMF-HSZRJFAPSA-N 0 0 438.612 5.003 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222411285 557338690 /nfs/dbraw/zinc/33/86/90/557338690.db2.gz UCYPITJWFSQVLP-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cccc1N(C)S(C)(=O)=O ZINC000222433986 557339741 /nfs/dbraw/zinc/33/97/41/557339741.db2.gz VQAUBJUCELIGQO-UHFFFAOYSA-N 0 0 444.940 5.089 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000409236763 557339742 /nfs/dbraw/zinc/33/97/42/557339742.db2.gz HBXDSBQCWHNXNA-LICLKQGHSA-N 0 0 440.323 6.158 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222456604 557340752 /nfs/dbraw/zinc/34/07/52/557340752.db2.gz BUTWIAAQCPINMD-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222457036 557340993 /nfs/dbraw/zinc/34/09/93/557340993.db2.gz RDFLJLJDZWNDHG-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215651 557341229 /nfs/dbraw/zinc/34/12/29/557341229.db2.gz QQHSVEQZYBKFQP-FQEVSTJZSA-N 0 0 445.604 6.228 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215619 557341234 /nfs/dbraw/zinc/34/12/34/557341234.db2.gz SDKCYOBGQHVSSS-LJQANCHMSA-N 0 0 431.577 5.838 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000222460924 557341266 /nfs/dbraw/zinc/34/12/66/557341266.db2.gz RSHZUZWGUCQEDD-HSZRJFAPSA-N 0 0 426.626 5.118 40 0 IKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 ZINC000072215018 557341717 /nfs/dbraw/zinc/34/17/17/557341717.db2.gz SDWQCRQDSTWFFT-UHFFFAOYSA-N 0 0 449.592 5.501 40 0 IKABRN O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(F)c2)cs1)C1CCCC1 ZINC000013564931 557341708 /nfs/dbraw/zinc/34/17/08/557341708.db2.gz IOTRIZZHBURHMQ-UHFFFAOYSA-N 0 0 435.524 5.281 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CCC1 ZINC000072215530 557341997 /nfs/dbraw/zinc/34/19/97/557341997.db2.gz VOCITFOIFKWOJF-LJQANCHMSA-N 0 0 431.577 5.838 40 0 IKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072215277 557342004 /nfs/dbraw/zinc/34/20/04/557342004.db2.gz UQAWHMWFWLWRLJ-MJGOQNOKSA-N 0 0 433.593 6.084 40 0 IKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072215294 557342010 /nfs/dbraw/zinc/34/20/10/557342010.db2.gz IPAAXWASOIIYNO-UGKGYDQZSA-N 0 0 437.584 5.989 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000072215378 557342019 /nfs/dbraw/zinc/34/20/19/557342019.db2.gz RIWXLYCUQDGJFH-OAQYLSRUSA-N 0 0 437.540 5.459 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CCCC1 ZINC000072215591 557342364 /nfs/dbraw/zinc/34/23/64/557342364.db2.gz PNDLBKHTDFZACA-FQEVSTJZSA-N 0 0 445.604 6.228 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215739 557342602 /nfs/dbraw/zinc/34/26/02/557342602.db2.gz VJRVMTWRLBSGHB-HXUWFJFHSA-N 0 0 445.604 6.228 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1)C1CCCC1 ZINC000072215659 557342712 /nfs/dbraw/zinc/34/27/12/557342712.db2.gz IDCMSFJOEOFNIL-HSZRJFAPSA-N 0 0 449.595 6.133 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222487770 557342833 /nfs/dbraw/zinc/34/28/33/557342833.db2.gz FMMVSTRAEILBHQ-RUZDIDTESA-N 0 0 436.640 5.557 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072215870 557343026 /nfs/dbraw/zinc/34/30/26/557343026.db2.gz QKKRVAXUICJGHA-HSZRJFAPSA-N 0 0 443.547 6.132 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000222502786 557345357 /nfs/dbraw/zinc/34/53/57/557345357.db2.gz PKZTYDCYCSMGIY-QHCPKHFHSA-N 0 0 438.612 5.003 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222504282 557345583 /nfs/dbraw/zinc/34/55/83/557345583.db2.gz RJJGHXNWUMZEEW-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222504585 557345589 /nfs/dbraw/zinc/34/55/89/557345589.db2.gz VOVKOAMVKQCWEA-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000222508762 557346166 /nfs/dbraw/zinc/34/61/66/557346166.db2.gz PCSKMPSDESHIMP-QFIPXVFZSA-N 0 0 447.044 5.463 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 ZINC000222508383 557346203 /nfs/dbraw/zinc/34/62/03/557346203.db2.gz WHWSAPTVNUMEFO-OAQYLSRUSA-N 0 0 433.017 5.154 40 0 IKABRN Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccc(F)cc1)C1CCCCC1)c1nnnn12 ZINC000013568286 557347204 /nfs/dbraw/zinc/34/72/04/557347204.db2.gz FQOPREMIQSQBQD-UHFFFAOYSA-N 0 0 432.503 5.092 40 0 IKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1ccccc1C ZINC000013568367 557347207 /nfs/dbraw/zinc/34/72/07/557347207.db2.gz BCJKDGHBRQAASG-UHFFFAOYSA-N 0 0 428.001 5.659 40 0 IKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1ccc(C)cc1 ZINC000013568360 557347234 /nfs/dbraw/zinc/34/72/34/557347234.db2.gz SALNYKPGCNMFEK-UHFFFAOYSA-N 0 0 428.001 5.659 40 0 IKABRN Cc1ccc2c(c1)cc(CN(C(=O)Nc1cc(C)cc(C)c1)C1CCCCC1)c1nnnn12 ZINC000013568284 557347272 /nfs/dbraw/zinc/34/72/72/557347272.db2.gz HBWOLQCFBOKIMI-UHFFFAOYSA-N 0 0 442.567 5.570 40 0 IKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1cccc(Cl)c1 ZINC000013568362 557347300 /nfs/dbraw/zinc/34/73/00/557347300.db2.gz RBOGJKJUWWFQFX-UHFFFAOYSA-N 0 0 448.419 6.004 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1 ZINC000222538864 557348607 /nfs/dbraw/zinc/34/86/07/557348607.db2.gz VLUNSTJQVYXHSA-XMMPIXPASA-N 0 0 436.577 5.010 40 0 IKABRN CC[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1 ZINC000222538936 557348618 /nfs/dbraw/zinc/34/86/18/557348618.db2.gz VLUNSTJQVYXHSA-DEOSSOPVSA-N 0 0 436.577 5.010 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 ZINC000222542332 557349135 /nfs/dbraw/zinc/34/91/35/557349135.db2.gz BKRKDPMWGYJURO-JOCHJYFZSA-N 0 0 447.044 5.295 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 ZINC000222544244 557349402 /nfs/dbraw/zinc/34/94/02/557349402.db2.gz VSMNSNSLNKNNQK-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000222545950 557349405 /nfs/dbraw/zinc/34/94/05/557349405.db2.gz GMWJZYLNKJYUEC-UHFFFAOYSA-N 0 0 436.577 5.197 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000222553604 557350791 /nfs/dbraw/zinc/35/07/91/557350791.db2.gz KEOOENFYHUGLNN-HXUWFJFHSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C ZINC000222556240 557351252 /nfs/dbraw/zinc/35/12/52/557351252.db2.gz QIRUEDMXZGDHFL-JOCHJYFZSA-N 0 0 447.044 5.214 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1cccc(F)c1 ZINC000013561439 557351638 /nfs/dbraw/zinc/35/16/38/557351638.db2.gz ZTMDSXWCSBPYIE-QFIPXVFZSA-N 0 0 440.515 5.473 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1ccc(F)cc1 ZINC000013561441 557351722 /nfs/dbraw/zinc/35/17/22/557351722.db2.gz WMMHMFGIGZWVFA-QFIPXVFZSA-N 0 0 440.515 5.473 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1ccccc1F ZINC000013561453 557351725 /nfs/dbraw/zinc/35/17/25/557351725.db2.gz QUMSPGBJRMVKPV-QFIPXVFZSA-N 0 0 440.515 5.473 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccccc2C)cc1 ZINC000044792637 557351809 /nfs/dbraw/zinc/35/18/09/557351809.db2.gz UOIDYOQMOGLWGR-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN COc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)c3cccc(C)c3)cc2c1 ZINC000013562051 557352630 /nfs/dbraw/zinc/35/26/30/557352630.db2.gz ZFICXNWOXKKSKE-UHFFFAOYSA-N 0 0 444.962 6.356 40 0 IKABRN Cc1cc(CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)c(C)n1C[C@H]1CCCO1 ZINC000222562925 557352759 /nfs/dbraw/zinc/35/27/59/557352759.db2.gz JSFNYQRQLTUDLH-HXUWFJFHSA-N 0 0 442.991 5.140 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 ZINC000222563676 557352854 /nfs/dbraw/zinc/35/28/54/557352854.db2.gz WSAUCKSUOQGLOY-AVRDEDQJSA-N 0 0 447.044 5.197 40 0 IKABRN CC(C)Cc1nc2c(nnn2Cc2ccccc2)c(NCc2cccc(C(F)(F)F)c2)n1 ZINC000013563760 557353776 /nfs/dbraw/zinc/35/37/76/557353776.db2.gz AQFVYZRXZNGOLX-UHFFFAOYSA-N 0 0 440.473 5.099 40 0 IKABRN CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)c1ccc(Cl)nc1)c1ccccc1 ZINC000013563915 557354124 /nfs/dbraw/zinc/35/41/24/557354124.db2.gz KEMAZLPRTYQBIZ-NRFANRHFSA-N 0 0 439.918 5.177 40 0 IKABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C ZINC000222577875 557355284 /nfs/dbraw/zinc/35/52/84/557355284.db2.gz VRVQWYPGYKNZNM-VHKYSDTDSA-N 0 0 431.989 5.510 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222580749 557355778 /nfs/dbraw/zinc/35/57/78/557355778.db2.gz WFEJNSGIIIWHMA-OAHLLOKOSA-N 0 0 439.408 5.029 40 0 IKABRN CC(C)Oc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br ZINC000222582827 557355992 /nfs/dbraw/zinc/35/59/92/557355992.db2.gz DDZAAXPGHQTUCB-FASAQXTFSA-N 0 0 432.387 5.221 40 0 IKABRN Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222585258 557356511 /nfs/dbraw/zinc/35/65/11/557356511.db2.gz YABJAODTUDTDGK-UHFFFAOYSA-N 0 0 433.870 6.289 40 0 IKABRN Cc1c(C)n(-c2ccc(Cl)cc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222588196 557356733 /nfs/dbraw/zinc/35/67/33/557356733.db2.gz WBMPAONHIFAGGM-NYDQNWGQSA-N 0 0 437.012 6.040 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000222592090 557357685 /nfs/dbraw/zinc/35/76/85/557357685.db2.gz MELVRIQXRNAPAF-QHCPKHFHSA-N 0 0 445.003 5.174 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 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426.409 6.139 40 0 IKABRN COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)CC(C)(C)O2 ZINC000222728347 557380061 /nfs/dbraw/zinc/38/00/61/557380061.db2.gz UDRLMQPNUCUZFH-GOSISDBHSA-N 0 0 440.392 5.654 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)c1ccccc1 ZINC000222730627 557380331 /nfs/dbraw/zinc/38/03/31/557380331.db2.gz NNHSMLYXZRZLCS-UHFFFAOYSA-N 0 0 430.356 6.096 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222729695 557380343 /nfs/dbraw/zinc/38/03/43/557380343.db2.gz UIQCXFSJFJBVJF-LLVKDONJSA-N 0 0 448.177 5.006 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000222733439 557380858 /nfs/dbraw/zinc/38/08/58/557380858.db2.gz JCJGBBWBHFXPLR-UHFFFAOYSA-N 0 0 442.755 5.246 40 0 IKABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222733862 557381190 /nfs/dbraw/zinc/38/11/90/557381190.db2.gz MMNCEIZEXRGUNC-UHFFFAOYSA-N 0 0 442.393 5.387 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000222743738 557381911 /nfs/dbraw/zinc/38/19/11/557381911.db2.gz BJZKCNUTFLPWNT-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C ZINC000222743899 557381982 /nfs/dbraw/zinc/38/19/82/557381982.db2.gz HPHSIXFSPHPEOR-QFIPXVFZSA-N 0 0 449.422 5.485 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 ZINC000013628035 557382365 /nfs/dbraw/zinc/38/23/65/557382365.db2.gz HNAUOYLXZNUBKW-UHFFFAOYSA-N 0 0 448.566 7.156 40 0 IKABRN Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222747544 557382471 /nfs/dbraw/zinc/38/24/71/557382471.db2.gz VMVARPLFKOHGDR-MRXNPFEDSA-N 0 0 435.395 5.176 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccccc3F)c2)cc1 ZINC000013628824 557382583 /nfs/dbraw/zinc/38/25/83/557382583.db2.gz ILKJKFCTIKSEKC-UHFFFAOYSA-N 0 0 449.551 5.502 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1 ZINC000013628637 557382604 /nfs/dbraw/zinc/38/26/04/557382604.db2.gz ZFGDMWBFRYACEN-CXUHLZMHSA-N 0 0 432.951 6.542 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3cccs3)c2)cc1 ZINC000013628675 557382609 /nfs/dbraw/zinc/38/26/09/557382609.db2.gz XWXWDOBPPCFPBQ-UHFFFAOYSA-N 0 0 437.590 5.425 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc(Cl)cc3)c2)cc1 ZINC000013628112 557382621 /nfs/dbraw/zinc/38/26/21/557382621.db2.gz DIFYOBMVWZBJLT-UHFFFAOYSA-N 0 0 436.939 5.907 40 0 IKABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000113963235 557382673 /nfs/dbraw/zinc/38/26/73/557382673.db2.gz DYDAAKXZBGGQJT-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN Cc1ccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222749482 557382722 /nfs/dbraw/zinc/38/27/22/557382722.db2.gz WLMHDFLLNTULOH-KRWDZBQOSA-N 0 0 433.017 5.073 40 0 IKABRN Cc1ccc(CN(C(=O)CSCc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222750216 557382736 /nfs/dbraw/zinc/38/27/36/557382736.db2.gz DAQHNLOQQBUMAP-GOSISDBHSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000222751364 557382922 /nfs/dbraw/zinc/38/29/22/557382922.db2.gz DWUCYKBUMUBZRQ-HXUWFJFHSA-N 0 0 439.358 5.007 40 0 IKABRN Cc1ccc(C)c(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1 ZINC000113965168 557383270 /nfs/dbraw/zinc/38/32/70/557383270.db2.gz DBUWRLPAJYEICM-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN Cc1cccc(C)c1NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000113965172 557383323 /nfs/dbraw/zinc/38/33/23/557383323.db2.gz BQCXGMHNMHFTAM-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000222752406 557383394 /nfs/dbraw/zinc/38/33/94/557383394.db2.gz STRCGOXZLULJOC-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222752559 557383397 /nfs/dbraw/zinc/38/33/97/557383397.db2.gz ITAKTRAFPXDBIM-QFIPXVFZSA-N 0 0 449.422 5.485 40 0 IKABRN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C ZINC000013632337 557383491 /nfs/dbraw/zinc/38/34/91/557383491.db2.gz SKDKHWOCWMXYIT-UHFFFAOYSA-N 0 0 430.548 5.871 40 0 IKABRN CCc1ccccc1NC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000113965587 557383839 /nfs/dbraw/zinc/38/38/39/557383839.db2.gz RWEUODIBZWRMFG-UHFFFAOYSA-N 0 0 436.577 5.084 40 0 IKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222771589 557385016 /nfs/dbraw/zinc/38/50/16/557385016.db2.gz LMNBLBRWVABVNA-VXKWHMMOSA-N 0 0 425.001 5.443 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000222776966 557385905 /nfs/dbraw/zinc/38/59/05/557385905.db2.gz YWYAJTJABWGTOH-MRXNPFEDSA-N 0 0 427.595 5.668 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000222776904 557385971 /nfs/dbraw/zinc/38/59/71/557385971.db2.gz YWYAJTJABWGTOH-INIZCTEOSA-N 0 0 427.595 5.668 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222783232 557386494 /nfs/dbraw/zinc/38/64/94/557386494.db2.gz AUDFOASUQRLHQT-MRXNPFEDSA-N 0 0 435.395 5.176 40 0 IKABRN Cc1ccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222781762 557386511 /nfs/dbraw/zinc/38/65/11/557386511.db2.gz VASMTGVFTNKHGI-HXUWFJFHSA-N 0 0 438.612 5.003 40 0 IKABRN Cc1ccccc1CSCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C ZINC000222785584 557386764 /nfs/dbraw/zinc/38/67/64/557386764.db2.gz IWYAJDRZUYARBS-SFHVURJKSA-N 0 0 447.044 5.214 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 ZINC000222786627 557387126 /nfs/dbraw/zinc/38/71/26/557387126.db2.gz DIRLEEGOOCOEGY-QGZVFWFLSA-N 0 0 433.017 5.154 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000222800941 557387804 /nfs/dbraw/zinc/38/78/04/557387804.db2.gz DRLBXVNDONSYGJ-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222802375 557388133 /nfs/dbraw/zinc/38/81/33/557388133.db2.gz ZJSHWLFHGVBYQL-RBUKOAKNSA-N 0 0 428.355 5.097 40 0 IKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000222805801 557388649 /nfs/dbraw/zinc/38/86/49/557388649.db2.gz UHJHFZXTMRLGRL-MOPGFXCFSA-N 0 0 446.345 5.236 40 0 IKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)cc2Br)o1 ZINC000222805675 557388710 /nfs/dbraw/zinc/38/87/10/557388710.db2.gz GZHLAIILHRTLAG-WOJBJXKFSA-N 0 0 442.382 5.405 40 0 IKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222805408 557388715 /nfs/dbraw/zinc/38/87/15/557388715.db2.gz YOJIDVNCYXJUFR-RTBURBONSA-N 0 0 446.345 5.236 40 0 IKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)cc2Br)o1 ZINC000222805546 557388733 /nfs/dbraw/zinc/38/87/33/557388733.db2.gz GZHLAIILHRTLAG-UXHICEINSA-N 0 0 442.382 5.405 40 0 IKABRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c1 ZINC000101147568 557389686 /nfs/dbraw/zinc/38/96/86/557389686.db2.gz LDNOEDBPXLUFCK-GVAUOCQISA-N 0 0 440.543 5.344 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222821156 557390158 /nfs/dbraw/zinc/39/01/58/557390158.db2.gz OZDSIKLTYOSOLK-WOJBJXKFSA-N 0 0 431.392 5.560 40 0 IKABRN Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222824999 557390818 /nfs/dbraw/zinc/39/08/18/557390818.db2.gz YRRNSFXQRRJKBV-KRWDZBQOSA-N 0 0 433.017 5.073 40 0 IKABRN Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222826911 557391119 /nfs/dbraw/zinc/39/11/19/557391119.db2.gz JGVYVSVOHKLILE-GOSISDBHSA-N 0 0 447.044 5.463 40 0 IKABRN O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000115605501 557391616 /nfs/dbraw/zinc/39/16/16/557391616.db2.gz BHONFABRPURIMT-UHFFFAOYSA-N 0 0 445.469 5.249 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870839 557391827 /nfs/dbraw/zinc/39/18/27/557391827.db2.gz ALEQKJNSINSWTJ-INIZCTEOSA-N 0 0 444.988 5.439 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870837 557391893 /nfs/dbraw/zinc/39/18/93/557391893.db2.gz NSHIRLANGGSRPM-INIZCTEOSA-N 0 0 444.988 5.439 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1 ZINC000013871308 557392065 /nfs/dbraw/zinc/39/20/65/557392065.db2.gz JBUBOMLUDCEVBC-HNNXBMFYSA-N 0 0 444.988 5.210 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Br)cc3)n2CC)cc1 ZINC000013871450 557392425 /nfs/dbraw/zinc/39/24/25/557392425.db2.gz HUAAVIGWTZRJCH-HNNXBMFYSA-N 0 0 446.414 6.055 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222841071 557392524 /nfs/dbraw/zinc/39/25/24/557392524.db2.gz BOSCVILNYMRCJQ-VWLOTQADSA-N 0 0 438.612 5.083 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000222841285 557392548 /nfs/dbraw/zinc/39/25/48/557392548.db2.gz XKINELQJKNQBND-UXHICEINSA-N 0 0 441.398 5.016 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2CC)cc1 ZINC000013871547 557392658 /nfs/dbraw/zinc/39/26/58/557392658.db2.gz GPGGQIHKKJGGSC-GOSISDBHSA-N 0 0 438.597 5.348 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000222841400 557392631 /nfs/dbraw/zinc/39/26/31/557392631.db2.gz XKINELQJKNQBND-WOJBJXKFSA-N 0 0 441.398 5.016 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1Cl ZINC000222841871 557392676 /nfs/dbraw/zinc/39/26/76/557392676.db2.gz YUGQRGLAZQSZFJ-ZDUSSCGKSA-N 0 0 432.800 5.772 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000222842153 557392684 /nfs/dbraw/zinc/39/26/84/557392684.db2.gz BAZYPMBCJJNSQP-ZDUSSCGKSA-N 0 0 432.800 5.772 40 0 IKABRN C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222842756 557392930 /nfs/dbraw/zinc/39/29/30/557392930.db2.gz WYVBAAXFNVPNDV-OAQYLSRUSA-N 0 0 448.994 5.049 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)ccc1Cl ZINC000222842815 557392981 /nfs/dbraw/zinc/39/29/81/557392981.db2.gz KVSCSJYQCPLGPU-CYBMUJFWSA-N 0 0 432.800 5.772 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222845554 557393201 /nfs/dbraw/zinc/39/32/01/557393201.db2.gz XDMUUKMZFMTPLQ-PMACEKPBSA-N 0 0 429.998 5.860 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222846831 557393453 /nfs/dbraw/zinc/39/34/53/557393453.db2.gz WDTASKXIXOXWRB-WOJBJXKFSA-N 0 0 442.382 5.485 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222848391 557393487 /nfs/dbraw/zinc/39/34/87/557393487.db2.gz VZSMOBOIKBPBAF-UXHICEINSA-N 0 0 432.376 6.029 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222848773 557393717 /nfs/dbraw/zinc/39/37/17/557393717.db2.gz IPDLSFLSEYSCRO-WOJBJXKFSA-N 0 0 432.376 6.029 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222849036 557393762 /nfs/dbraw/zinc/39/37/62/557393762.db2.gz HRMBGDSIYVBESZ-WOJBJXKFSA-N 0 0 432.376 6.029 40 0 IKABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2CC)cc1 ZINC000013842249 557395007 /nfs/dbraw/zinc/39/50/07/557395007.db2.gz ZGAXWCBCIPZUEU-UHFFFAOYSA-N 0 0 438.597 5.294 40 0 IKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000013842677 557395054 /nfs/dbraw/zinc/39/50/54/557395054.db2.gz ZRZKCYPNEGIEQR-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222861656 557395490 /nfs/dbraw/zinc/39/54/90/557395490.db2.gz FQJOJYYVWFKWNY-XZOQPEGZSA-N 0 0 439.028 5.833 40 0 IKABRN Cc1c(OC(=O)c2ccccc2)ccc2c1C=C[C@@]1(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21 ZINC000025549062 557395508 /nfs/dbraw/zinc/39/55/08/557395508.db2.gz VIXDHGDNWWEKMR-XFWJURFQSA-N 0 0 430.632 8.203 40 0 IKABRN COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000013925439 557396491 /nfs/dbraw/zinc/39/64/91/557396491.db2.gz NJRWNSWIILKMKK-BKUYFWCQSA-N 0 0 433.891 5.581 40 0 IKABRN O=C(NCc1cccc2ccccc21)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000222876496 557396749 /nfs/dbraw/zinc/39/67/49/557396749.db2.gz HJQJOGDXGDFGAL-UHFFFAOYSA-N 0 0 437.381 5.131 40 0 IKABRN Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc(Cl)cc4Cl)OC3=O)cc2)cc1 ZINC000013928809 557396793 /nfs/dbraw/zinc/39/67/93/557396793.db2.gz DVYQDIQGYMRCLG-UUYOSTAYSA-N 0 0 438.310 6.225 40 0 IKABRN Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 ZINC000013928360 557396801 /nfs/dbraw/zinc/39/68/01/557396801.db2.gz IKFNNCACNJCKAA-HMAPJEAMSA-N 0 0 448.316 5.681 40 0 IKABRN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C(c1ccccc1)c1ccccc1 ZINC000013950626 557397483 /nfs/dbraw/zinc/39/74/83/557397483.db2.gz AQSFPPJERGIWDT-UHFFFAOYSA-N 0 0 446.575 7.248 40 0 IKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000222882367 557397689 /nfs/dbraw/zinc/39/76/89/557397689.db2.gz VFRFIYGTSZRYOQ-UQBPGWFLSA-N 0 0 430.548 5.536 40 0 IKABRN CCc1ccc(O[C@@H](CC)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000222884477 557397979 /nfs/dbraw/zinc/39/79/79/557397979.db2.gz ODZCKJAUEDCXFY-MHZLTWQESA-N 0 0 442.603 5.340 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222891162 557399038 /nfs/dbraw/zinc/39/90/38/557399038.db2.gz NJWUBKDOZJDNNO-UXHICEINSA-N 0 0 429.998 5.862 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222892372 557399282 /nfs/dbraw/zinc/39/92/82/557399282.db2.gz GKXRSOPDMNXYGM-WOJBJXKFSA-N 0 0 442.382 5.487 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222892238 557399288 /nfs/dbraw/zinc/39/92/88/557399288.db2.gz GKXRSOPDMNXYGM-UXHICEINSA-N 0 0 442.382 5.487 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222892309 557399338 /nfs/dbraw/zinc/39/93/38/557399338.db2.gz GKXRSOPDMNXYGM-VQTJNVASSA-N 0 0 442.382 5.487 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222893980 557399540 /nfs/dbraw/zinc/39/95/40/557399540.db2.gz HVWKCPYBLKGGGO-VQTJNVASSA-N 0 0 432.376 6.031 40 0 IKABRN O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(Br)s1 ZINC000013990251 557400033 /nfs/dbraw/zinc/40/00/33/557400033.db2.gz FENXAIWTHBYJJF-UHFFFAOYSA-N 0 0 448.323 5.191 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 ZINC000013992102 557400426 /nfs/dbraw/zinc/40/04/26/557400426.db2.gz GVSBBQRKKDHCBY-UHFFFAOYSA-N 0 0 447.972 6.993 40 0 IKABRN COc1ccc2[nH]c(C)c(C(=O)CSc3nnc(-c4ccoc4)c(-c4ccoc4)n3)c2c1 ZINC000013992044 557400473 /nfs/dbraw/zinc/40/04/73/557400473.db2.gz FIISCEMFXYIEJG-UHFFFAOYSA-N 0 0 446.488 5.165 40 0 IKABRN O=C(NCc1cccs1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 ZINC000013992085 557400476 /nfs/dbraw/zinc/40/04/76/557400476.db2.gz NPIYHXIXLIEGMY-UHFFFAOYSA-N 0 0 433.583 6.078 40 0 IKABRN O=C(NCc1cccnc1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 ZINC000013992501 557400686 /nfs/dbraw/zinc/40/06/86/557400686.db2.gz CJOWOUHZLCVVEW-UHFFFAOYSA-N 0 0 428.542 5.412 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222901991 557400955 /nfs/dbraw/zinc/40/09/55/557400955.db2.gz JXQNUTLMXFVIRB-JOCHJYFZSA-N 0 0 447.044 5.197 40 0 IKABRN COc1cc([C@H]2S[C@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccc(Cl)cc1 ZINC000013995206 557401024 /nfs/dbraw/zinc/40/10/24/557401024.db2.gz IWAOIEDUFTYJGZ-ZUOKHONESA-N 0 0 443.956 5.122 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222903406 557401237 /nfs/dbraw/zinc/40/12/37/557401237.db2.gz BMJCPUMVRUJSEY-AWEZNQCLSA-N 0 0 439.358 5.007 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222909452 557401537 /nfs/dbraw/zinc/40/15/37/557401537.db2.gz PDAHCZOIIYIBDK-OAQYLSRUSA-N 0 0 435.395 5.116 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222911489 557401750 /nfs/dbraw/zinc/40/17/50/557401750.db2.gz QLEPOUJFUVZXFC-RTWAWAEBSA-N 0 0 445.419 5.808 40 0 IKABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000222911176 557401764 /nfs/dbraw/zinc/40/17/64/557401764.db2.gz PSTWASKRAWKZJG-HLILLCKBSA-N 0 0 430.548 5.232 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000222916143 557402269 /nfs/dbraw/zinc/40/22/69/557402269.db2.gz ONTVAOZQNNWCDL-RUZDIDTESA-N 0 0 433.617 7.073 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000222918507 557402297 /nfs/dbraw/zinc/40/22/97/557402297.db2.gz NAOBYUORTZZNMT-DEOSSOPVSA-N 0 0 436.596 5.843 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222918125 557402352 /nfs/dbraw/zinc/40/23/52/557402352.db2.gz PGXOKZONSATEJQ-GOSISDBHSA-N 0 0 429.004 5.124 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222929405 557404536 /nfs/dbraw/zinc/40/45/36/557404536.db2.gz MJABMICAEKMKQN-VWLOTQADSA-N 0 0 436.640 5.291 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222930813 557404688 /nfs/dbraw/zinc/40/46/88/557404688.db2.gz ZLIVHIRSGOYIIR-QGZVFWFLSA-N 0 0 449.422 5.485 40 0 IKABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)Nc1ccccc1 ZINC000222932766 557404764 /nfs/dbraw/zinc/40/47/64/557404764.db2.gz YKNJVOVAUSQYRM-IBGZPJMESA-N 0 0 448.588 5.166 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118913606 557405197 /nfs/dbraw/zinc/40/51/97/557405197.db2.gz MCVIVMYFDOKJSH-IVZDYNIQSA-N 0 0 438.608 6.186 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C1)C(=O)C[C@H]1[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000118914695 557405205 /nfs/dbraw/zinc/40/52/05/557405205.db2.gz QGGRDHGCNNAWIE-JXXOWAKJSA-N 0 0 444.700 7.218 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222934886 557405259 /nfs/dbraw/zinc/40/52/59/557405259.db2.gz AULNSWPJKUXRNF-RPBOFIJWSA-N 0 0 426.589 5.654 40 0 IKABRN CC(=O)O[C@@H](C)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@]4(C)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118914984 557405422 /nfs/dbraw/zinc/40/54/22/557405422.db2.gz WPHICUIXBCASRI-RMGMVHMUSA-N 0 0 434.617 5.034 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222938282 557405579 /nfs/dbraw/zinc/40/55/79/557405579.db2.gz FCCTUFMXUMGRBQ-SFTDATJTSA-N 0 0 446.403 6.277 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@](O)(CCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915130 557405674 /nfs/dbraw/zinc/40/56/74/557405674.db2.gz OSYGNEOCCSKLON-AUBLJOOZSA-N 0 0 438.652 6.325 40 0 IKABRN C/C(=C\CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 ZINC000118915968 557405728 /nfs/dbraw/zinc/40/57/28/557405728.db2.gz KGICHBLSYNZKLD-FHALZDINSA-N 0 0 446.719 8.446 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Br)c1)[C@H]2O ZINC000118916295 557405819 /nfs/dbraw/zinc/40/58/19/557405819.db2.gz NKLBOHZLKULONG-NPJSJGGISA-N 0 0 443.469 7.236 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Br)c1)[C@@H]2O ZINC000118916294 557405824 /nfs/dbraw/zinc/40/58/24/557405824.db2.gz NKLBOHZLKULONG-FIMHJPORSA-N 0 0 443.469 7.236 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000222938953 557405852 /nfs/dbraw/zinc/40/58/52/557405852.db2.gz FHEPSVQYNCAWIN-FGZHOGPDSA-N 0 0 425.569 5.569 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222938731 557405864 /nfs/dbraw/zinc/40/58/64/557405864.db2.gz AOSTYOXDYRIJJG-NHCUHLMSSA-N 0 0 446.403 6.277 40 0 IKABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222939512 557406042 /nfs/dbraw/zinc/40/60/42/557406042.db2.gz SUYRDXVMHGIZPC-VXKWHMMOSA-N 0 0 425.985 5.932 40 0 IKABRN COC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118916591 557405999 /nfs/dbraw/zinc/40/59/99/557405999.db2.gz WHMGDIMLSAAHJQ-AESDPALKSA-N 0 0 444.700 8.179 40 0 IKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 ZINC000222939449 557406099 /nfs/dbraw/zinc/40/60/99/557406099.db2.gz SUYRDXVMHGIZPC-FCHUYYIVSA-N 0 0 425.985 5.932 40 0 IKABRN Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1Cl ZINC000222941375 557406238 /nfs/dbraw/zinc/40/62/38/557406238.db2.gz NOGJINAOFWGBQI-VXKWHMMOSA-N 0 0 425.985 5.932 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000222941825 557406297 /nfs/dbraw/zinc/40/62/97/557406297.db2.gz WLGIQIQHDTVQFI-FQEVSTJZSA-N 0 0 441.959 5.504 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)c2)cc1 ZINC000222942639 557406305 /nfs/dbraw/zinc/40/63/05/557406305.db2.gz BVAATFISNLOYPD-LJQANCHMSA-N 0 0 448.588 5.166 40 0 IKABRN COC(=O)CCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924168 557406376 /nfs/dbraw/zinc/40/63/76/557406376.db2.gz OYPYMNFOUYYNKV-AACJOILJSA-N 0 0 432.601 5.099 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000222942589 557406380 /nfs/dbraw/zinc/40/63/80/557406380.db2.gz TTXFYMQGFLUYQG-AWEZNQCLSA-N 0 0 439.358 5.007 40 0 IKABRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1Cl ZINC000222941262 557406420 /nfs/dbraw/zinc/40/64/20/557406420.db2.gz NOGJINAOFWGBQI-YADHBBJMSA-N 0 0 425.985 5.932 40 0 IKABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1NS(=O)(=O)c1ccccc1 ZINC000222943178 557406531 /nfs/dbraw/zinc/40/65/31/557406531.db2.gz JWCAXYLBWHKADM-IBGZPJMESA-N 0 0 448.588 5.166 40 0 IKABRN CNS[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118928400 557406935 /nfs/dbraw/zinc/40/69/35/557406935.db2.gz HTHNWQMPMKADST-BTGNDISDSA-N 0 0 431.774 8.264 40 0 IKABRN C[C@@H](CC[C@@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926920 557406943 /nfs/dbraw/zinc/40/69/43/557406943.db2.gz PRJNMBBZEPYCTP-LTZZPTABSA-N 0 0 436.680 7.076 40 0 IKABRN CCSC1(SCC)CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118929217 557406996 /nfs/dbraw/zinc/40/69/96/557406996.db2.gz ZXXFJBWMFVMIFM-PPOWDTIZSA-N 0 0 436.727 7.083 40 0 IKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930066 557407154 /nfs/dbraw/zinc/40/71/54/557407154.db2.gz 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/nfs/dbraw/zinc/40/74/27/557407427.db2.gz NNEMOYQGAUFYDU-NRFANRHFSA-N 0 0 435.395 5.116 40 0 IKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000222951719 557407601 /nfs/dbraw/zinc/40/76/01/557407601.db2.gz NERSHWJNYCPQPQ-IBGZPJMESA-N 0 0 426.409 5.817 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222954028 557407659 /nfs/dbraw/zinc/40/76/59/557407659.db2.gz ANUZZIGHGDWMEO-RTWAWAEBSA-N 0 0 433.606 5.255 40 0 IKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222954155 557407693 /nfs/dbraw/zinc/40/76/93/557407693.db2.gz ANUZZIGHGDWMEO-NHCUHLMSSA-N 0 0 433.606 5.255 40 0 IKABRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3[C@H]3C[C@]32C1 ZINC000118936344 557407656 /nfs/dbraw/zinc/40/76/56/557407656.db2.gz WNFPVPRFYINGIO-WYYFOJFFSA-N 0 0 428.701 7.649 40 0 IKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5OC[C@@H](O)C[C@H]5C[C@]4(C)[C@H]3CC[C@]12C ZINC000118936402 557407853 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/nfs/dbraw/zinc/42/41/38/557424138.db2.gz DLVGKYMOHSRCBP-UHFFFAOYSA-N 0 0 435.898 7.212 40 0 IKABRN CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223065223 557424527 /nfs/dbraw/zinc/42/45/27/557424527.db2.gz LRUCEVUKYNZTLF-MHZLTWQESA-N 0 0 442.603 5.176 40 0 IKABRN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cccc5ccccc54)ccc32)cc1 ZINC000223068895 557425579 /nfs/dbraw/zinc/42/55/79/557425579.db2.gz ZRRFBJNGCBZTGU-UHFFFAOYSA-N 0 0 442.540 5.152 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 ZINC000223069604 557425617 /nfs/dbraw/zinc/42/56/17/557425617.db2.gz BVDQJUXDHMOZAD-UHFFFAOYSA-N 0 0 448.588 5.124 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 ZINC000223070902 557425849 /nfs/dbraw/zinc/42/58/49/557425849.db2.gz NCRIQUNDNVQORJ-LJQANCHMSA-N 0 0 448.588 5.511 40 0 IKABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000223072810 557426113 /nfs/dbraw/zinc/42/61/13/557426113.db2.gz DDOXMMLHANGXFB-FGZHOGPDSA-N 0 0 441.984 5.312 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)c1C ZINC000014154551 557426200 /nfs/dbraw/zinc/42/62/00/557426200.db2.gz LVGGDOBNMPZZKC-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000223074574 557426375 /nfs/dbraw/zinc/42/63/75/557426375.db2.gz DHLKSAOHAOVPGS-FGZHOGPDSA-N 0 0 441.984 5.312 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)c1 ZINC000014154906 557426495 /nfs/dbraw/zinc/42/64/95/557426495.db2.gz ADPYTQGWIAWTRQ-UHFFFAOYSA-N 0 0 436.577 5.788 40 0 IKABRN O=C(CSCc1ccc(Br)cc1)NCCSCc1ccccc1Cl ZINC000014154603 557426562 /nfs/dbraw/zinc/42/65/62/557426562.db2.gz DKEAAPKVJQSCMU-UHFFFAOYSA-N 0 0 444.847 5.385 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000014155203 557426787 /nfs/dbraw/zinc/42/67/87/557426787.db2.gz CKRGVFQVOTXCPD-UHFFFAOYSA-N 0 0 436.577 5.481 40 0 IKABRN COc1ccc(C)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223077207 557426930 /nfs/dbraw/zinc/42/69/30/557426930.db2.gz OWRWEBXTEFSBDR-UHFFFAOYSA-N 0 0 434.923 5.502 40 0 IKABRN O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223076416 557426953 /nfs/dbraw/zinc/42/69/53/557426953.db2.gz IHHLEWCQNVADFK-UHFFFAOYSA-N 0 0 425.315 5.839 40 0 IKABRN COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000223078620 557427140 /nfs/dbraw/zinc/42/71/40/557427140.db2.gz YZPLQJYHLZDNJN-KRWDZBQOSA-N 0 0 448.950 5.433 40 0 IKABRN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000223078701 557427239 /nfs/dbraw/zinc/42/72/39/557427239.db2.gz KXNXYSQHJRPTPM-MRXNPFEDSA-N 0 0 436.914 5.563 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223078244 557427243 /nfs/dbraw/zinc/42/72/43/557427243.db2.gz KTZPKHXISDGABQ-UHFFFAOYSA-N 0 0 446.978 6.617 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223077560 557427245 /nfs/dbraw/zinc/42/72/45/557427245.db2.gz KRVSCZGWGOFGGQ-FQEVSTJZSA-N 0 0 445.003 5.141 40 0 IKABRN CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000014155740 557427376 /nfs/dbraw/zinc/42/73/76/557427376.db2.gz SITRWPGIFGEOEM-UHFFFAOYSA-N 0 0 446.981 5.423 40 0 IKABRN C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000223078747 557427363 /nfs/dbraw/zinc/42/73/63/557427363.db2.gz KXNXYSQHJRPTPM-INIZCTEOSA-N 0 0 436.914 5.563 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cccc(C)c1 ZINC000223078753 557427482 /nfs/dbraw/zinc/42/74/82/557427482.db2.gz PNIOYZUGBJVXOO-MOPGFXCFSA-N 0 0 447.044 5.214 40 0 IKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223079532 557427510 /nfs/dbraw/zinc/42/75/10/557427510.db2.gz RQSWFRHYZXHNBB-UHFFFAOYSA-N 0 0 443.305 5.978 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C(C)C ZINC000223080522 557427761 /nfs/dbraw/zinc/42/77/61/557427761.db2.gz OJYJQNNMDKFDCU-RBUKOAKNSA-N 0 0 445.003 5.174 40 0 IKABRN CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc2c(c1)CCCC2 ZINC000223082059 557428212 /nfs/dbraw/zinc/42/82/12/557428212.db2.gz GWTRZVSOGDZUMJ-QFIPXVFZSA-N 0 0 444.413 6.098 40 0 IKABRN C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000223081701 557428233 /nfs/dbraw/zinc/42/82/33/557428233.db2.gz KGPRSMZXQJSRHZ-INIZCTEOSA-N 0 0 436.914 5.563 40 0 IKABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000014269130 557428262 /nfs/dbraw/zinc/42/82/62/557428262.db2.gz NXUIGAQHCHGEGA-UHFFFAOYSA-N 0 0 448.931 5.549 40 0 IKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)c(Cl)c4)ccc32)c1 ZINC000223083691 557428368 /nfs/dbraw/zinc/42/83/68/557428368.db2.gz ORPNMZBUMVEURB-UHFFFAOYSA-N 0 0 439.342 6.147 40 0 IKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc32)c1 ZINC000223083929 557428438 /nfs/dbraw/zinc/42/84/38/557428438.db2.gz CPBQDFFAUXPZJV-UHFFFAOYSA-N 0 0 438.449 5.859 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(Br)c(C)c1 ZINC000014269536 557428732 /nfs/dbraw/zinc/42/87/32/557428732.db2.gz BGRGYHVBJFONGV-UHFFFAOYSA-N 0 0 448.169 5.200 40 0 IKABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000014269663 557428868 /nfs/dbraw/zinc/42/88/68/557428868.db2.gz SJKOJSYFTNSEBH-UHFFFAOYSA-N 0 0 448.169 5.200 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000014269705 557428882 /nfs/dbraw/zinc/42/88/82/557428882.db2.gz IXJPABWKENPORP-UHFFFAOYSA-N 0 0 445.544 5.555 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000014269864 557429146 /nfs/dbraw/zinc/42/91/46/557429146.db2.gz HJELXCSMOYVALE-UHFFFAOYSA-N 0 0 449.963 6.146 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccnc1 ZINC000223087252 557429158 /nfs/dbraw/zinc/42/91/58/557429158.db2.gz RZPBFPLYXCYLEP-BJKOFHAPSA-N 0 0 431.609 5.189 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000014269836 557429223 /nfs/dbraw/zinc/42/92/23/557429223.db2.gz QIOPKNKGESYUIC-UHFFFAOYSA-N 0 0 440.952 5.577 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1c(C)cccc1C ZINC000014270033 557429347 /nfs/dbraw/zinc/42/93/47/557429347.db2.gz SAUPXOWQAMNMPB-UHFFFAOYSA-N 0 0 443.366 5.355 40 0 IKABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)c1 ZINC000014270142 557429377 /nfs/dbraw/zinc/42/93/77/557429377.db2.gz RSGKUSPXXOMKFZ-UHFFFAOYSA-N 0 0 447.516 5.034 40 0 IKABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3O)oc2c(C)c1 ZINC000014270171 557429402 /nfs/dbraw/zinc/42/94/02/557429402.db2.gz QRDGJRNCDDPEAB-UHFFFAOYSA-N 0 0 445.544 5.561 40 0 IKABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)C(c1ccccc1)c1ccccc1 ZINC000014270396 557429667 /nfs/dbraw/zinc/42/96/67/557429667.db2.gz GHFQELPBUKKMPK-UHFFFAOYSA-N 0 0 442.540 5.084 40 0 IKABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)c1 ZINC000014270243 557429677 /nfs/dbraw/zinc/42/96/77/557429677.db2.gz REAPJAWCTJRSPN-UHFFFAOYSA-N 0 0 447.516 5.034 40 0 IKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000014270529 557429900 /nfs/dbraw/zinc/42/99/00/557429900.db2.gz GNNZOCMTPHQSJY-UHFFFAOYSA-N 0 0 444.560 5.392 40 0 IKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000014270768 557430030 /nfs/dbraw/zinc/43/00/30/557430030.db2.gz MNNCYOIMUASMDV-UHFFFAOYSA-N 0 0 448.356 5.990 40 0 IKABRN Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223091975 557430063 /nfs/dbraw/zinc/43/00/63/557430063.db2.gz XGVZIVCZVUDPRX-RPWUZVMVSA-N 0 0 449.645 6.439 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223092234 557430110 /nfs/dbraw/zinc/43/01/10/557430110.db2.gz ZNERNCDMUFBZRP-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223092354 557430125 /nfs/dbraw/zinc/43/01/25/557430125.db2.gz OXBMKLBNBZMZNG-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)cc4Cl)c3)nc2c1 ZINC000014270683 557430055 /nfs/dbraw/zinc/43/00/55/557430055.db2.gz GIIFFMULLGKFFT-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)nc21 ZINC000014270809 557430064 /nfs/dbraw/zinc/43/00/64/557430064.db2.gz VMOUPIAZFLDGDD-UHFFFAOYSA-N 0 0 441.965 5.953 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)ccc3o2)c1 ZINC000014270878 557430079 /nfs/dbraw/zinc/43/00/79/557430079.db2.gz WXADKMMWPOALPH-UHFFFAOYSA-N 0 0 449.963 5.821 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)c(C)c1 ZINC000014270884 557430088 /nfs/dbraw/zinc/43/00/88/557430088.db2.gz RVBISGUVPQRCCY-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3o2)c1 ZINC000014270873 557430136 /nfs/dbraw/zinc/43/01/36/557430136.db2.gz CLKICDLPOTTWNJ-UHFFFAOYSA-N 0 0 441.512 5.985 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(Br)cc1F ZINC000014271058 557430319 /nfs/dbraw/zinc/43/03/19/557430319.db2.gz VCPLWVSRSFQPER-QHHAFSJGSA-N 0 0 448.144 5.421 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000014271246 557430581 /nfs/dbraw/zinc/43/05/81/557430581.db2.gz XYUBOKFWUUHGBQ-OVCLIPMQSA-N 0 0 449.963 5.048 40 0 IKABRN CC1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000014271341 557430585 /nfs/dbraw/zinc/43/05/85/557430585.db2.gz KQDQECYTMWRJHE-YCRREMRBSA-N 0 0 448.419 5.756 40 0 IKABRN CCOc1cccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000014272056 557431242 /nfs/dbraw/zinc/43/12/42/557431242.db2.gz OSFLGJMBZVNCNB-UHFFFAOYSA-N 0 0 443.355 6.921 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 ZINC000014272099 557431512 /nfs/dbraw/zinc/43/15/12/557431512.db2.gz XROCGGJKHNAVOV-UHFFFAOYSA-N 0 0 446.721 6.451 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000014272112 557431515 /nfs/dbraw/zinc/43/15/15/557431515.db2.gz JQXTUTNYNWMILL-UHFFFAOYSA-N 0 0 447.705 6.716 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3Cl)oc2c1 ZINC000014272172 557431526 /nfs/dbraw/zinc/43/15/26/557431526.db2.gz JALSYSZYCFTIAM-UHFFFAOYSA-N 0 0 443.355 6.841 40 0 IKABRN COc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 ZINC000014272154 557431536 /nfs/dbraw/zinc/43/15/36/557431536.db2.gz UVXQFLGPHHFGJT-UHFFFAOYSA-N 0 0 443.286 5.828 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000014272190 557431542 /nfs/dbraw/zinc/43/15/42/557431542.db2.gz DINJZWLXRCAYAM-UHFFFAOYSA-N 0 0 447.705 6.716 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000014272260 557431664 /nfs/dbraw/zinc/43/16/64/557431664.db2.gz LNRJHCSRPACMKW-UHFFFAOYSA-N 0 0 441.314 6.679 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c(F)c1F ZINC000014272390 557431682 /nfs/dbraw/zinc/43/16/82/557431682.db2.gz OLDJPBJPDZLWNJ-UHFFFAOYSA-N 0 0 444.384 5.929 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c(F)c1F ZINC000014272364 557431688 /nfs/dbraw/zinc/43/16/88/557431688.db2.gz HJCWSAUYUNYSGO-UHFFFAOYSA-N 0 0 444.384 5.929 40 0 IKABRN Cc1c(NC(=O)COc2ccc(C3CCCCC3)cc2)cccc1-c1nc2ccccc2o1 ZINC000014272350 557431698 /nfs/dbraw/zinc/43/16/98/557431698.db2.gz PYHSONSUEGODIH-UHFFFAOYSA-N 0 0 440.543 6.868 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000223104342 557431791 /nfs/dbraw/zinc/43/17/91/557431791.db2.gz LKPINUKXIZVVGX-JTQLQIEISA-N 0 0 431.717 5.095 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000223103801 557431828 /nfs/dbraw/zinc/43/18/28/557431828.db2.gz VWZDCDNVXXHUCG-CYBMUJFWSA-N 0 0 425.326 5.004 40 0 IKABRN COc1ccc2nc(NC(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)sc2c1 ZINC000014272432 557431873 /nfs/dbraw/zinc/43/18/73/557431873.db2.gz HYIWHKZHIUSGKZ-UHFFFAOYSA-N 0 0 445.755 5.899 40 0 IKABRN Cc1cc2sc(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)nc2c(C)c1 ZINC000014272457 557431917 /nfs/dbraw/zinc/43/19/17/557431917.db2.gz BEYZJIYRTMJJTB-VQHVLOKHSA-N 0 0 443.355 7.132 40 0 IKABRN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 ZINC000014272393 557431930 /nfs/dbraw/zinc/43/19/30/557431930.db2.gz JJKWEJXQNGBNTG-UHFFFAOYSA-N 0 0 440.930 7.425 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1nc2c(cccc2Cl)s1 ZINC000014272448 557431941 /nfs/dbraw/zinc/43/19/41/557431941.db2.gz MGIUCXOZDNLZQN-UHFFFAOYSA-N 0 0 447.741 6.126 40 0 IKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3n2)cc1 ZINC000014272654 557432118 /nfs/dbraw/zinc/43/21/18/557432118.db2.gz BZEYCNGDQZURRQ-UHFFFAOYSA-N 0 0 441.318 5.551 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000014272604 557432149 /nfs/dbraw/zinc/43/21/49/557432149.db2.gz JDLMCSXFVQOEDE-UHFFFAOYSA-N 0 0 447.705 6.716 40 0 IKABRN CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223107090 557432239 /nfs/dbraw/zinc/43/22/39/557432239.db2.gz DRBWDMMSPVUEHE-RPBOFIJWSA-N 0 0 445.636 5.244 40 0 IKABRN CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 ZINC000014272773 557432250 /nfs/dbraw/zinc/43/22/50/557432250.db2.gz CZAGKJWWOGGBTA-UHFFFAOYSA-N 0 0 442.563 6.284 40 0 IKABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223107140 557432281 /nfs/dbraw/zinc/43/22/81/557432281.db2.gz DRBWDMMSPVUEHE-LOSJGSFVSA-N 0 0 445.636 5.244 40 0 IKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4OC)cc3n2)c(C)c1 ZINC000014272793 557432267 /nfs/dbraw/zinc/43/22/67/557432267.db2.gz DSBQELPHHRRZOX-UHFFFAOYSA-N 0 0 443.551 5.144 40 0 IKABRN C[C@@H](NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C)c1ccc(Cl)cc1 ZINC000223108811 557432538 /nfs/dbraw/zinc/43/25/38/557432538.db2.gz VIWXIEIXYRKNNY-VXGBXAGGSA-N 0 0 445.744 5.026 40 0 IKABRN C[C@H](NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C)c1ccc(Cl)cc1 ZINC000223108748 557432548 /nfs/dbraw/zinc/43/25/48/557432548.db2.gz VIWXIEIXYRKNNY-RYUDHWBXSA-N 0 0 445.744 5.026 40 0 IKABRN CCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000014272988 557432544 /nfs/dbraw/zinc/43/25/44/557432544.db2.gz CGCPBZFOINSGNR-PKNBQFBNSA-N 0 0 443.330 6.644 40 0 IKABRN CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000014273102 557432561 /nfs/dbraw/zinc/43/25/61/557432561.db2.gz GDJRIIHJLBCYBK-DHZHZOJOSA-N 0 0 443.330 6.500 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000014273104 557432651 /nfs/dbraw/zinc/43/26/51/557432651.db2.gz MTNYIZPAWIZAGQ-UHFFFAOYSA-N 0 0 441.325 5.458 40 0 IKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000014273013 557432665 /nfs/dbraw/zinc/43/26/65/557432665.db2.gz SNPPOPBJZJVGHD-UFWORHAWSA-N 0 0 440.587 7.012 40 0 IKABRN CCOC(=O)c1sc(NC(=O)c2cccc3c(Cl)cccc23)c(C(=O)OCC)c1C ZINC000014273232 557432740 /nfs/dbraw/zinc/43/27/40/557432740.db2.gz JTZLZJVIEHKYLH-UHFFFAOYSA-N 0 0 445.924 5.469 40 0 IKABRN NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCCC2 ZINC000014273355 557432979 /nfs/dbraw/zinc/43/29/79/557432979.db2.gz SVWWLXSCJBRXLJ-UHFFFAOYSA-N 0 0 449.359 5.935 40 0 IKABRN C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)c2C(N)=O)C1 ZINC000014273339 557432992 /nfs/dbraw/zinc/43/29/92/557432992.db2.gz ILRCMJQXOOSPPU-JTQLQIEISA-N 0 0 449.359 5.791 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1C1CCCCC1 ZINC000223112281 557433207 /nfs/dbraw/zinc/43/32/07/557433207.db2.gz MKEMVBKSEBNDQK-XZOQPEGZSA-N 0 0 435.618 6.131 40 0 IKABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000223118496 557434208 /nfs/dbraw/zinc/43/42/08/557434208.db2.gz BRQBSLQWGIEFDY-RUZDIDTESA-N 0 0 438.999 5.307 40 0 IKABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3cccc(C)c3)CC2)cc1 ZINC000014291226 557434295 /nfs/dbraw/zinc/43/42/95/557434295.db2.gz RDJGMEFRYOEEKK-UHFFFAOYSA-N 0 0 447.966 5.172 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3c(Br)c2OC)c1 ZINC000014291383 557434458 /nfs/dbraw/zinc/43/44/58/557434458.db2.gz WYYICMVAVWTYJF-UHFFFAOYSA-N 0 0 428.282 5.040 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000014291413 557434533 /nfs/dbraw/zinc/43/45/33/557434533.db2.gz AJDVHAPMALSJAY-DHZHZOJOSA-N 0 0 430.287 6.082 40 0 IKABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000223124620 557435204 /nfs/dbraw/zinc/43/52/04/557435204.db2.gz QNLAQRZQXRTUGY-VWLOTQADSA-N 0 0 448.994 5.049 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223127741 557435714 /nfs/dbraw/zinc/43/57/14/557435714.db2.gz GLXBYVUEBWOYFE-FQEVSTJZSA-N 0 0 445.003 5.141 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223130400 557436133 /nfs/dbraw/zinc/43/61/33/557436133.db2.gz YGVROSCGLDBGJL-WOJBJXKFSA-N 0 0 426.576 5.214 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc(C)c1Cl ZINC000014398886 557436256 /nfs/dbraw/zinc/43/62/56/557436256.db2.gz WJOZEHWZKWACPT-MRXNPFEDSA-N 0 0 430.331 6.809 40 0 IKABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000223131521 557436433 /nfs/dbraw/zinc/43/64/33/557436433.db2.gz VPCVPVBMQDVMTM-RUZDIDTESA-N 0 0 448.994 5.252 40 0 IKABRN C[C@H]1[C@H](NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)CCC[C@@H]1C ZINC000014357037 557436457 /nfs/dbraw/zinc/43/64/57/557436457.db2.gz XQQRZJNAYJNLCY-IPMKNSEASA-N 0 0 438.593 5.164 40 0 IKABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000223131451 557436458 /nfs/dbraw/zinc/43/64/58/557436458.db2.gz VPCVPVBMQDVMTM-VWLOTQADSA-N 0 0 448.994 5.252 40 0 IKABRN CC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223134286 557436956 /nfs/dbraw/zinc/43/69/56/557436956.db2.gz VPVDLASYHLPJQC-HSZRJFAPSA-N 0 0 429.004 5.098 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc21 ZINC000223135051 557437173 /nfs/dbraw/zinc/43/71/73/557437173.db2.gz IQWKWKHHABBRAI-WOJBJXKFSA-N 0 0 434.555 5.244 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000223136182 557437395 /nfs/dbraw/zinc/43/73/95/557437395.db2.gz QLQBWGHGURJIEF-JOCHJYFZSA-N 0 0 426.626 5.199 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223142169 557438282 /nfs/dbraw/zinc/43/82/82/557438282.db2.gz XHTWCCMRTSSZKY-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc(C)c1Cl ZINC000223143635 557438527 /nfs/dbraw/zinc/43/85/27/557438527.db2.gz MCDZNOUQIVPYKA-CQSZACIVSA-N 0 0 433.986 5.507 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223153764 557439830 /nfs/dbraw/zinc/43/98/30/557439830.db2.gz VGEBOAXJOFDOJV-IBGZPJMESA-N 0 0 439.408 5.029 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223162068 557440316 /nfs/dbraw/zinc/44/03/16/557440316.db2.gz IFKPJPDGDWHZLQ-DEOSSOPVSA-N 0 0 436.640 5.639 40 0 IKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000223161120 557440348 /nfs/dbraw/zinc/44/03/48/557440348.db2.gz RAVUIGHYSLMGCZ-HHHXNRCGSA-N 0 0 442.603 5.012 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000223167961 557440824 /nfs/dbraw/zinc/44/08/24/557440824.db2.gz NBDCTNVAFFVIIV-QFIPXVFZSA-N 0 0 426.626 5.032 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 ZINC000223180052 557442488 /nfs/dbraw/zinc/44/24/88/557442488.db2.gz LPXMMDSSGYMZHT-QFIPXVFZSA-N 0 0 426.626 5.118 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C ZINC000223180486 557442518 /nfs/dbraw/zinc/44/25/18/557442518.db2.gz HATMJGZYPBFAFB-QHCPKHFHSA-N 0 0 440.653 5.259 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000223181597 557442693 /nfs/dbraw/zinc/44/26/93/557442693.db2.gz ZYAUMIBIOYFNGI-JOCHJYFZSA-N 0 0 426.626 5.199 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1 ZINC000223182125 557442731 /nfs/dbraw/zinc/44/27/31/557442731.db2.gz XDSQXJUZYMMFSU-LJQANCHMSA-N 0 0 448.588 5.084 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223184339 557442840 /nfs/dbraw/zinc/44/28/40/557442840.db2.gz PCBDYXSYBZEQCV-HXUWFJFHSA-N 0 0 443.031 5.730 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223185886 557442875 /nfs/dbraw/zinc/44/28/75/557442875.db2.gz RMGVGRQXIAUUNM-QGZVFWFLSA-N 0 0 435.395 5.260 40 0 IKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223183950 557442905 /nfs/dbraw/zinc/44/29/05/557442905.db2.gz YCKVYZBCLHOFNC-LJQANCHMSA-N 0 0 435.574 5.780 40 0 IKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000014404821 557443040 /nfs/dbraw/zinc/44/30/40/557443040.db2.gz WGWQKNHVHHQQEK-UHFFFAOYSA-N 0 0 444.922 5.647 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)cc2)s1 ZINC000014404923 557443104 /nfs/dbraw/zinc/44/31/04/557443104.db2.gz BPUMHHWGLAKIDQ-UHFFFAOYSA-N 0 0 430.533 5.364 40 0 IKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000014404984 557443388 /nfs/dbraw/zinc/44/33/88/557443388.db2.gz CVBOXPWOUDGYPH-WUKNDPDISA-N 0 0 436.515 5.393 40 0 IKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cccc3ccccc32)c1C ZINC000014405562 557443555 /nfs/dbraw/zinc/44/35/55/557443555.db2.gz FXJNOIWAINXHAH-UHFFFAOYSA-N 0 0 440.547 5.958 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223190050 557443631 /nfs/dbraw/zinc/44/36/31/557443631.db2.gz QDOWEFXNEKVXSV-LJQANCHMSA-N 0 0 445.003 5.176 40 0 IKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)C2(c3ccccc3)CCOCC2)c1 ZINC000223191452 557443924 /nfs/dbraw/zinc/44/39/24/557443924.db2.gz LKBFNJXMKOMDBK-UHFFFAOYSA-N 0 0 437.923 5.828 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1 ZINC000223192772 557444068 /nfs/dbraw/zinc/44/40/68/557444068.db2.gz SWGHMVZTXOHNID-LJQANCHMSA-N 0 0 448.588 5.084 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223193361 557444237 /nfs/dbraw/zinc/44/42/37/557444237.db2.gz WYKRVLQUUUENCI-GOSISDBHSA-N 0 0 433.017 5.074 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000223194687 557444448 /nfs/dbraw/zinc/44/44/48/557444448.db2.gz SCHZLCDQASDNOO-SFHVURJKSA-N 0 0 433.017 5.156 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 ZINC000014411654 557444635 /nfs/dbraw/zinc/44/46/35/557444635.db2.gz MTEGSNOQIJEAME-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 ZINC000223201936 557445461 /nfs/dbraw/zinc/44/54/61/557445461.db2.gz ISGUVCZMIXUIKJ-AREMUKBSSA-N 0 0 446.566 5.046 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000014400240 557445930 /nfs/dbraw/zinc/44/59/30/557445930.db2.gz LMNYNXUWBHTHDL-HXUWFJFHSA-N 0 0 427.548 5.420 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 ZINC000223209026 557446286 /nfs/dbraw/zinc/44/62/86/557446286.db2.gz SALFDSWWYZJJLZ-XMMPIXPASA-N 0 0 438.612 5.185 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc21 ZINC000223211857 557446395 /nfs/dbraw/zinc/44/63/95/557446395.db2.gz PEAUKZYDKKIILK-DEOSSOPVSA-N 0 0 446.591 5.249 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC ZINC000014428008 557446650 /nfs/dbraw/zinc/44/66/50/557446650.db2.gz PGRORWPIMKBLSV-UHFFFAOYSA-N 0 0 449.407 5.873 40 0 IKABRN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223221068 557447451 /nfs/dbraw/zinc/44/74/51/557447451.db2.gz BIJIIIGDIFAZAM-UHFFFAOYSA-N 0 0 435.898 6.581 40 0 IKABRN CC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000014607263 557447593 /nfs/dbraw/zinc/44/75/93/557447593.db2.gz VRFXGUPNMCVBFM-UQBPGWFLSA-N 0 0 434.561 5.077 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223222991 557447693 /nfs/dbraw/zinc/44/76/93/557447693.db2.gz LTOHRVJISPBNHG-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223222984 557447695 /nfs/dbraw/zinc/44/76/95/557447695.db2.gz HYNMPZXPZIVXEA-HXUWFJFHSA-N 0 0 445.003 5.141 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223222933 557447733 /nfs/dbraw/zinc/44/77/33/557447733.db2.gz LTOHRVJISPBNHG-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN CCc1nn2c(c1-c1ccc(F)cc1)N=C(c1ccccc1OC)C[C@@H]2c1ccccn1 ZINC000014607634 557447765 /nfs/dbraw/zinc/44/77/65/557447765.db2.gz DSYGJBJVOPFZOT-HSZRJFAPSA-N 0 0 426.495 5.769 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223225451 557448241 /nfs/dbraw/zinc/44/82/41/557448241.db2.gz LMNBPYGDVUFIJN-OAQYLSRUSA-N 0 0 447.044 5.463 40 0 IKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)c(C)c1 ZINC000223225135 557448281 /nfs/dbraw/zinc/44/82/81/557448281.db2.gz JORRBLAQEPGFIM-KDYMBEQYSA-N 0 0 432.589 5.712 40 0 IKABRN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)Nc2ccccc2)cc1OC ZINC000014608043 557448296 /nfs/dbraw/zinc/44/82/96/557448296.db2.gz BBXQHBXNZSZXNT-QHCPKHFHSA-N 0 0 428.492 5.445 40 0 IKABRN Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000014608367 557448487 /nfs/dbraw/zinc/44/84/87/557448487.db2.gz JBVPBDFXJLNMSY-AREMUKBSSA-N 0 0 427.523 5.362 40 0 IKABRN Cc1ccc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)nc(C)c2c1 ZINC000014608364 557448527 /nfs/dbraw/zinc/44/85/27/557448527.db2.gz BQHOIAQJMQAKKY-UHFFFAOYSA-N 0 0 429.570 6.168 40 0 IKABRN COc1ccc(OC)c(-n2c(-c3ccc(Cl)cc3)cnc2Nc2nc(C)cc(C)n2)c1 ZINC000014608335 557448589 /nfs/dbraw/zinc/44/85/89/557448589.db2.gz SZRQMTDISMJRIX-UHFFFAOYSA-N 0 0 435.915 5.360 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000014640064 557448745 /nfs/dbraw/zinc/44/87/45/557448745.db2.gz PNAMZKNYNVBUQM-GOSISDBHSA-N 0 0 430.573 6.803 40 0 IKABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000014651658 557448965 /nfs/dbraw/zinc/44/89/65/557448965.db2.gz RIMCCUODDJOIPN-UHFFFAOYSA-N 0 0 426.310 6.283 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223230590 557448978 /nfs/dbraw/zinc/44/89/78/557448978.db2.gz GDVLIDDLVQLSKJ-HXUWFJFHSA-N 0 0 443.031 5.730 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223239946 557450292 /nfs/dbraw/zinc/45/02/92/557450292.db2.gz WIVMQQSQVOKLKM-HXUWFJFHSA-N 0 0 444.616 5.009 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223262215 557452343 /nfs/dbraw/zinc/45/23/43/557452343.db2.gz CMIOCGHHDIREKR-RUZDIDTESA-N 0 0 436.640 5.773 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223268985 557453671 /nfs/dbraw/zinc/45/36/71/557453671.db2.gz LDZQUHPQCVVJPY-NRFANRHFSA-N 0 0 432.967 5.052 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223268685 557453682 /nfs/dbraw/zinc/45/36/82/557453682.db2.gz IBUAFAQCSNXMIS-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223269037 557453839 /nfs/dbraw/zinc/45/38/39/557453839.db2.gz LDZQUHPQCVVJPY-OAQYLSRUSA-N 0 0 432.967 5.052 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223271132 557454165 /nfs/dbraw/zinc/45/41/65/557454165.db2.gz SHIBZCSQCJRHFS-OAQYLSRUSA-N 0 0 447.044 5.463 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)c1 ZINC000014831551 557454529 /nfs/dbraw/zinc/45/45/29/557454529.db2.gz VZABGOZEUVMQRN-CQSZACIVSA-N 0 0 447.988 5.383 40 0 IKABRN COc1ccc(/C=C/C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c(OC)c1OC ZINC000223273431 557454537 /nfs/dbraw/zinc/45/45/37/557454537.db2.gz KZICOEDBGKSAKD-DPCFLFMUSA-N 0 0 427.541 5.043 40 0 IKABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000223273869 557454557 /nfs/dbraw/zinc/45/45/57/557454557.db2.gz ZBBWTFWMFSFJDH-RUZDIDTESA-N 0 0 448.994 5.049 40 0 IKABRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c(OC)c1OC ZINC000223273494 557454560 /nfs/dbraw/zinc/45/45/60/557454560.db2.gz KZICOEDBGKSAKD-JICACKBISA-N 0 0 427.541 5.043 40 0 IKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2I)cc1C(C)C ZINC000223274327 557454582 /nfs/dbraw/zinc/45/45/82/557454582.db2.gz DXEGPRIVQHHHMU-CQSZACIVSA-N 0 0 437.321 5.223 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)c1 ZINC000014831550 557454567 /nfs/dbraw/zinc/45/45/67/557454567.db2.gz VZABGOZEUVMQRN-AWEZNQCLSA-N 0 0 447.988 5.383 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223276088 557454777 /nfs/dbraw/zinc/45/47/77/557454777.db2.gz IROAHZSGEOCRLN-HXUWFJFHSA-N 0 0 426.576 5.215 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000223301295 557457035 /nfs/dbraw/zinc/45/70/35/557457035.db2.gz FMCNSOCPHXUXCL-HOFKKMOUSA-N 0 0 442.603 5.092 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223303005 557457235 /nfs/dbraw/zinc/45/72/35/557457235.db2.gz DEBSYTVFBDVCKN-XMMPIXPASA-N 0 0 438.612 5.219 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223302477 557457248 /nfs/dbraw/zinc/45/72/48/557457248.db2.gz UCEOYOOHGWMXBH-JOCHJYFZSA-N 0 0 445.003 5.058 40 0 IKABRN CCOC(=O)[C@@H]1C(=O)Oc2ccccc2[C@H]1[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000015021899 557457237 /nfs/dbraw/zinc/45/72/37/557457237.db2.gz HCCASHTVIJTISL-RJGXRXQPSA-N 0 0 448.902 5.189 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl ZINC000223307968 557457422 /nfs/dbraw/zinc/45/74/22/557457422.db2.gz DNDJXWJBFQXXAP-QFIPXVFZSA-N 0 0 429.004 5.303 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F ZINC000223310634 557457714 /nfs/dbraw/zinc/45/77/14/557457714.db2.gz QZCIFRHWRYKNLN-QFIPXVFZSA-N 0 0 444.616 5.089 40 0 IKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1C ZINC000223313061 557457972 /nfs/dbraw/zinc/45/79/72/557457972.db2.gz LIBAQTBZBMOBRZ-VNLJKWRZSA-N 0 0 432.589 5.712 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223313264 557458009 /nfs/dbraw/zinc/45/80/09/557458009.db2.gz WSQHBFLJPYDJCL-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1C ZINC000223313001 557458014 /nfs/dbraw/zinc/45/80/14/557458014.db2.gz LIBAQTBZBMOBRZ-KDYMBEQYSA-N 0 0 432.589 5.712 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000223314245 557458218 /nfs/dbraw/zinc/45/82/18/557458218.db2.gz YIEBMLHQBRORMD-YIXXDRMTSA-N 0 0 442.603 5.092 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000223314299 557458219 /nfs/dbraw/zinc/45/82/19/557458219.db2.gz YIEBMLHQBRORMD-WNCULLNHSA-N 0 0 442.603 5.092 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223313629 557458239 /nfs/dbraw/zinc/45/82/39/557458239.db2.gz YLIRTFBHQHRINZ-OAQYLSRUSA-N 0 0 432.967 5.052 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 ZINC000223315894 557458473 /nfs/dbraw/zinc/45/84/73/557458473.db2.gz MEQBYTPXBPPIOZ-OAQYLSRUSA-N 0 0 447.044 5.295 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000223316730 557458543 /nfs/dbraw/zinc/45/85/43/557458543.db2.gz LLOXZSYSTRCAAP-HOFKKMOUSA-N 0 0 442.603 5.092 40 0 IKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1C(C)C ZINC000223323143 557459229 /nfs/dbraw/zinc/45/92/29/557459229.db2.gz VDAURLJOSKIULD-AWEZNQCLSA-N 0 0 430.397 5.614 40 0 IKABRN CCc1ccc(OCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c(Br)c1 ZINC000223328255 557459507 /nfs/dbraw/zinc/45/95/07/557459507.db2.gz YDMFUGIIFWOPRP-MRXNPFEDSA-N 0 0 448.401 5.708 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1Cl ZINC000223330903 557460026 /nfs/dbraw/zinc/46/00/26/557460026.db2.gz JCXWTQJGHXEGFX-UHFFFAOYSA-N 0 0 432.372 6.937 40 0 IKABRN Cc1sc2nc(SCCOc3ccccc3F)n(-c3ccccc3)c(=O)c2c1C ZINC000015230380 557460083 /nfs/dbraw/zinc/46/00/83/557460083.db2.gz PNPTUZZTGTTZHH-UHFFFAOYSA-N 0 0 426.538 5.374 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1Cc1ccccc1 ZINC000223342690 557460607 /nfs/dbraw/zinc/46/06/07/557460607.db2.gz XLDGGMSAYKLENQ-LOSJGSFVSA-N 0 0 442.588 5.314 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000223344685 557460809 /nfs/dbraw/zinc/46/08/09/557460809.db2.gz FHKBJLRPFCYOFQ-QFIPXVFZSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 ZINC000223344877 557460825 /nfs/dbraw/zinc/46/08/25/557460825.db2.gz XLYTUDYWALMTER-JOCHJYFZSA-N 0 0 445.003 5.221 40 0 IKABRN CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223348715 557461147 /nfs/dbraw/zinc/46/11/47/557461147.db2.gz PQNAQCJCCIYWCY-QFIPXVFZSA-N 0 0 445.003 5.003 40 0 IKABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000015323748 557461241 /nfs/dbraw/zinc/46/12/41/557461241.db2.gz XQQYFOHYCUXIHY-UHFFFAOYSA-N 0 0 425.937 5.980 40 0 IKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223357928 557462075 /nfs/dbraw/zinc/46/20/75/557462075.db2.gz LOWMNKVKUAWSMO-BJKOFHAPSA-N 0 0 444.560 5.037 40 0 IKABRN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)ccc1Cl ZINC000223359485 557462341 /nfs/dbraw/zinc/46/23/41/557462341.db2.gz RSTUTVRWUDZHMZ-XZOQPEGZSA-N 0 0 448.979 5.600 40 0 IKABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223359597 557462347 /nfs/dbraw/zinc/46/23/47/557462347.db2.gz DEVXOPBMLUGLJM-RUZDIDTESA-N 0 0 434.967 5.179 40 0 IKABRN Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)ccc1Cl ZINC000223359374 557462355 /nfs/dbraw/zinc/46/23/55/557462355.db2.gz RSTUTVRWUDZHMZ-DHIUTWEWSA-N 0 0 448.979 5.600 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000223362563 557462822 /nfs/dbraw/zinc/46/28/22/557462822.db2.gz IGBXDDGYRXSVBC-NRFANRHFSA-N 0 0 447.044 5.544 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000223362621 557462832 /nfs/dbraw/zinc/46/28/32/557462832.db2.gz IGBXDDGYRXSVBC-OAQYLSRUSA-N 0 0 447.044 5.544 40 0 IKABRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223364684 557462953 /nfs/dbraw/zinc/46/29/53/557462953.db2.gz KDTCKDHAHCMNNY-GOTSBHOMSA-N 0 0 449.963 6.069 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223364562 557463015 /nfs/dbraw/zinc/46/30/15/557463015.db2.gz YQWBMJJPEDBZPU-QFIPXVFZSA-N 0 0 449.422 5.603 40 0 IKABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223363892 557463019 /nfs/dbraw/zinc/46/30/19/557463019.db2.gz ATNILYQIBHMTTI-PKTZIBPZSA-N 0 0 449.963 6.069 40 0 IKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1C(C)C ZINC000223369924 557463439 /nfs/dbraw/zinc/46/34/39/557463439.db2.gz FOSORHGZAZOTHK-HNNXBMFYSA-N 0 0 440.436 6.544 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C ZINC000223367999 557463455 /nfs/dbraw/zinc/46/34/55/557463455.db2.gz SLRDRWUKAVKACI-SFHVURJKSA-N 0 0 449.422 5.486 40 0 IKABRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1C(C)C ZINC000223369868 557463546 /nfs/dbraw/zinc/46/35/46/557463546.db2.gz FOSORHGZAZOTHK-OAHLLOKOSA-N 0 0 440.436 6.544 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000223372648 557463755 /nfs/dbraw/zinc/46/37/55/557463755.db2.gz DYRIBMRVSQKERX-WNCULLNHSA-N 0 0 442.603 5.092 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223372345 557463758 /nfs/dbraw/zinc/46/37/58/557463758.db2.gz LRQADXWTFLIYQY-YADARESESA-N 0 0 425.613 6.459 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1Cc1ccccc1 ZINC000223370706 557463762 /nfs/dbraw/zinc/46/37/62/557463762.db2.gz KQKADZZBKIELCK-MSOLQXFVSA-N 0 0 430.396 5.078 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000223373669 557463955 /nfs/dbraw/zinc/46/39/55/557463955.db2.gz XPXWMGZSMMBVMA-RTWAWAEBSA-N 0 0 444.575 6.015 40 0 IKABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccc5ccccc54)ccc32)cc1 ZINC000223374919 557464273 /nfs/dbraw/zinc/46/42/73/557464273.db2.gz HHVYMBKXPVPNED-UHFFFAOYSA-N 0 0 442.540 5.152 40 0 IKABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccc(C(C)C)cc4)ccc32)cc1 ZINC000223374830 557464325 /nfs/dbraw/zinc/46/43/25/557464325.db2.gz CZQAVGJBKRCYAE-UHFFFAOYSA-N 0 0 434.561 5.122 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1Cc1ccco1 ZINC000223375462 557464559 /nfs/dbraw/zinc/46/45/59/557464559.db2.gz OBZUCGNJTAIDBH-LOSJGSFVSA-N 0 0 442.588 5.314 40 0 IKABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000223377522 557464817 /nfs/dbraw/zinc/46/48/17/557464817.db2.gz VMYFDSDECODFOU-UHFFFAOYSA-N 0 0 448.588 5.124 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCCC1 ZINC000223380832 557465061 /nfs/dbraw/zinc/46/50/61/557465061.db2.gz VSAUTSCXVCHNCI-FTJBHMTQSA-N 0 0 444.648 6.178 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000223380035 557465102 /nfs/dbraw/zinc/46/51/02/557465102.db2.gz WJHOHERXUSLOEL-QGZVFWFLSA-N 0 0 435.395 5.260 40 0 IKABRN COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3cc(C(C)C)c(OC)cc3C)ccc2c1 ZINC000223383210 557465602 /nfs/dbraw/zinc/46/56/02/557465602.db2.gz QDRLUUCNZYYSMM-KRWDZBQOSA-N 0 0 427.566 5.328 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223389113 557465895 /nfs/dbraw/zinc/46/58/95/557465895.db2.gz GVTIKIYFVWNYHJ-JOCHJYFZSA-N 0 0 445.003 5.058 40 0 IKABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223393315 557466089 /nfs/dbraw/zinc/46/60/89/557466089.db2.gz ANFUKHOEZRVWKF-QFIPXVFZSA-N 0 0 445.003 5.003 40 0 IKABRN Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223394811 557466279 /nfs/dbraw/zinc/46/62/79/557466279.db2.gz SGIJWFQLIICUMN-DNQXCXABSA-N 0 0 428.536 5.184 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223396048 557466536 /nfs/dbraw/zinc/46/65/36/557466536.db2.gz HFENIQGSSNTFSO-QFIPXVFZSA-N 0 0 429.004 5.221 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000223398420 557466646 /nfs/dbraw/zinc/46/66/46/557466646.db2.gz CVUKBYAUAPZKEY-NRFANRHFSA-N 0 0 449.422 5.648 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1ccccc1 ZINC000223398056 557466666 /nfs/dbraw/zinc/46/66/66/557466666.db2.gz FWKPAVSEICHQKE-PKTZIBPZSA-N 0 0 445.979 5.093 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1ccccc1 ZINC000223397913 557466704 /nfs/dbraw/zinc/46/67/04/557466704.db2.gz FWKPAVSEICHQKE-XZOQPEGZSA-N 0 0 445.979 5.093 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000223398474 557466852 /nfs/dbraw/zinc/46/68/52/557466852.db2.gz CVUKBYAUAPZKEY-OAQYLSRUSA-N 0 0 449.422 5.648 40 0 IKABRN Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 ZINC000223399261 557466873 /nfs/dbraw/zinc/46/68/73/557466873.db2.gz YOWBDRJPACNHGU-ZEQRLZLVSA-N 0 0 429.520 5.653 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccc1 ZINC000223399372 557466920 /nfs/dbraw/zinc/46/69/20/557466920.db2.gz LJDIVWJKUXMCHA-DNQXCXABSA-N 0 0 445.975 6.168 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223404300 557467376 /nfs/dbraw/zinc/46/73/76/557467376.db2.gz DWJSETHTFKJCJR-QFIPXVFZSA-N 0 0 429.004 5.221 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223409706 557468331 /nfs/dbraw/zinc/46/83/31/557468331.db2.gz MANWXNVZVKNTPK-RUZDIDTESA-N 0 0 434.967 5.179 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223413506 557468884 /nfs/dbraw/zinc/46/88/84/557468884.db2.gz XGJWHSHZIYNVOQ-AREMUKBSSA-N 0 0 448.994 5.835 40 0 IKABRN COC(=O)c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223414564 557468934 /nfs/dbraw/zinc/46/89/34/557468934.db2.gz HRJMKVXDHPTQQD-UHFFFAOYSA-N 0 0 448.972 5.230 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223414728 557469007 /nfs/dbraw/zinc/46/90/07/557469007.db2.gz LKEHYYXUYZRWMQ-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000223413740 557469038 /nfs/dbraw/zinc/46/90/38/557469038.db2.gz HYDQKMBNSKQKNX-BJKOFHAPSA-N 0 0 432.593 5.016 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCCOC(C)C)c1ccccc1 ZINC000223415754 557469231 /nfs/dbraw/zinc/46/92/31/557469231.db2.gz QMHPMGMVRWZRMC-DEOSSOPVSA-N 0 0 445.003 5.141 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000223416666 557469483 /nfs/dbraw/zinc/46/94/83/557469483.db2.gz RINRAOIEPJBLOR-BJKOFHAPSA-N 0 0 432.593 5.180 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000223416597 557469553 /nfs/dbraw/zinc/46/95/53/557469553.db2.gz RINRAOIEPJBLOR-ZEQRLZLVSA-N 0 0 432.593 5.180 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223417822 557469655 /nfs/dbraw/zinc/46/96/55/557469655.db2.gz JQYFZFIQXPLCJP-DNQXCXABSA-N 0 0 434.609 5.262 40 0 IKABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223417683 557469750 /nfs/dbraw/zinc/46/97/50/557469750.db2.gz JPSKZRYEXHBKRB-XMMPIXPASA-N 0 0 434.967 5.382 40 0 IKABRN CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223420961 557470251 /nfs/dbraw/zinc/47/02/51/557470251.db2.gz SPQQYPKTEAEXBO-SANMLTNESA-N 0 0 448.994 5.425 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223422940 557470430 /nfs/dbraw/zinc/47/04/30/557470430.db2.gz UFELEYYSNPRDFQ-SFHVURJKSA-N 0 0 449.422 5.486 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223422886 557470432 /nfs/dbraw/zinc/47/04/32/557470432.db2.gz UFELEYYSNPRDFQ-GOSISDBHSA-N 0 0 449.422 5.486 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F ZINC000223423067 557470465 /nfs/dbraw/zinc/47/04/65/557470465.db2.gz CHHHMPHSEIVYSK-HNNXBMFYSA-N 0 0 439.358 5.009 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F ZINC000223423016 557470486 /nfs/dbraw/zinc/47/04/86/557470486.db2.gz CHHHMPHSEIVYSK-OAHLLOKOSA-N 0 0 439.358 5.009 40 0 IKABRN COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 ZINC000016194905 557470866 /nfs/dbraw/zinc/47/08/66/557470866.db2.gz KDBCWPFMNPUVKE-UHFFFAOYSA-N 0 0 435.863 5.383 40 0 IKABRN CCC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223425674 557470974 /nfs/dbraw/zinc/47/09/74/557470974.db2.gz XZPYGGIDLVHMJH-HNNXBMFYSA-N 0 0 438.977 5.307 40 0 IKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1C ZINC000223426642 557471034 /nfs/dbraw/zinc/47/10/34/557471034.db2.gz VLJDFVFIENYULW-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000223426428 557471060 /nfs/dbraw/zinc/47/10/60/557471060.db2.gz CJOSXTMCGIKGTA-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000223430072 557471253 /nfs/dbraw/zinc/47/12/53/557471253.db2.gz PLNFZZGXCDZPMD-DQEYMECFSA-N 0 0 440.572 5.054 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000223430184 557471293 /nfs/dbraw/zinc/47/12/93/557471293.db2.gz PLNFZZGXCDZPMD-LOSJGSFVSA-N 0 0 440.572 5.054 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000223429941 557471324 /nfs/dbraw/zinc/47/13/24/557471324.db2.gz QGTQECSRXBSGOQ-LOSJGSFVSA-N 0 0 446.620 5.570 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223434351 557471779 /nfs/dbraw/zinc/47/17/79/557471779.db2.gz RLMMVUHOORAGGP-QHCPKHFHSA-N 0 0 442.575 5.015 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)c2)cc1 ZINC000223436202 557471819 /nfs/dbraw/zinc/47/18/19/557471819.db2.gz FWRVIPNHEMFKBG-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223436339 557471855 /nfs/dbraw/zinc/47/18/55/557471855.db2.gz PHXDQGVTTVNPTN-RPBOFIJWSA-N 0 0 441.556 5.523 40 0 IKABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)CCC(C)(C)Cl)cc3)oc2cc1C ZINC000016284199 557471983 /nfs/dbraw/zinc/47/19/83/557471983.db2.gz LDQOFIPKGIEWHN-UHFFFAOYSA-N 0 0 429.973 5.722 40 0 IKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1C ZINC000223437275 557471992 /nfs/dbraw/zinc/47/19/92/557471992.db2.gz XEEKCNNZLWZEEC-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 ZINC000223438593 557472010 /nfs/dbraw/zinc/47/20/10/557472010.db2.gz PECOTFDCUBYKJE-QFIPXVFZSA-N 0 0 444.616 5.171 40 0 IKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C ZINC000223436867 557472026 /nfs/dbraw/zinc/47/20/26/557472026.db2.gz OCWHPGJHGAAGCS-HXUWFJFHSA-N 0 0 436.577 5.212 40 0 IKABRN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3)nn12 ZINC000016363512 557472490 /nfs/dbraw/zinc/47/24/90/557472490.db2.gz FYSAKHCCXRXNCH-UHFFFAOYSA-N 0 0 435.896 5.327 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223441268 557472485 /nfs/dbraw/zinc/47/24/85/557472485.db2.gz PEFLYJSQORVZGB-HSZRJFAPSA-N 0 0 426.576 5.043 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223443313 557472529 /nfs/dbraw/zinc/47/25/29/557472529.db2.gz OKXOBVHMPFGVKP-LOSJGSFVSA-N 0 0 440.572 5.054 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc2cc(Cl)ccc2s1 ZINC000016385138 557472839 /nfs/dbraw/zinc/47/28/39/557472839.db2.gz HWXOEOBPUMDXHH-XBXARRHUSA-N 0 0 449.746 7.168 40 0 IKABRN O=C(Nc1ccc(Cl)cc1Cl)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000016385079 557472870 /nfs/dbraw/zinc/47/28/70/557472870.db2.gz SRBPXZAHPXXHJH-UHFFFAOYSA-N 0 0 425.551 7.421 40 0 IKABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1C ZINC000223450912 557473308 /nfs/dbraw/zinc/47/33/08/557473308.db2.gz MLEKXFMGWZOUJE-KRWDZBQOSA-N 0 0 426.354 5.784 40 0 IKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016429526 557473378 /nfs/dbraw/zinc/47/33/78/557473378.db2.gz CZRNXMUUNFPDIC-UHFFFAOYSA-N 0 0 448.356 5.990 40 0 IKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)C(c1ccccc1)c1ccccc1 ZINC000016477696 557474249 /nfs/dbraw/zinc/47/42/49/557474249.db2.gz WEUZJAIHBIBTRR-UHFFFAOYSA-N 0 0 437.977 5.595 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCC1 ZINC000223457124 557474411 /nfs/dbraw/zinc/47/44/11/557474411.db2.gz PBPKKHBZERIYGH-BJKOFHAPSA-N 0 0 431.609 5.183 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000016637110 557474962 /nfs/dbraw/zinc/47/49/62/557474962.db2.gz DHROMBVBZTYUMH-UHFFFAOYSA-N 0 0 444.771 5.512 40 0 IKABRN CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3cccc(F)c3)o2)CC1 ZINC000016681510 557475233 /nfs/dbraw/zinc/47/52/33/557475233.db2.gz STNBXTLGHTVAKI-UHFFFAOYSA-N 0 0 427.907 5.133 40 0 IKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3o2)cc1 ZINC000016691989 557475427 /nfs/dbraw/zinc/47/54/27/557475427.db2.gz FAKQGRPHHNVNSA-UHFFFAOYSA-N 0 0 445.544 5.637 40 0 IKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccco4)ccc3o2)cc1 ZINC000016691937 557475460 /nfs/dbraw/zinc/47/54/60/557475460.db2.gz FLQIALYTSBTCDL-ZRDIBKRKSA-N 0 0 433.489 5.013 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1C ZINC000223472924 557476055 /nfs/dbraw/zinc/47/60/55/557476055.db2.gz NEOGCLBSZXSKHU-LOSJGSFVSA-N 0 0 439.588 5.057 40 0 IKABRN O=C(C[C@@]1(O)c2ccccc2N(Cc2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000017083428 557476360 /nfs/dbraw/zinc/47/63/60/557476360.db2.gz CIHLAYABAKJJAQ-GDLZYMKVSA-N 0 0 433.507 5.361 40 0 IKABRN Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)c2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000017083451 557476415 /nfs/dbraw/zinc/47/64/15/557476415.db2.gz HOTLVIZLTVVTLN-HHHXNRCGSA-N 0 0 447.962 5.779 40 0 IKABRN O=C(C[C@]1(O)c2ccccc2N(Cc2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000017083429 557476434 /nfs/dbraw/zinc/47/64/34/557476434.db2.gz CIHLAYABAKJJAQ-LJAQVGFWSA-N 0 0 433.507 5.361 40 0 IKABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000223476721 557476491 /nfs/dbraw/zinc/47/64/91/557476491.db2.gz KPWOIXFJDQOBFO-XMMPIXPASA-N 0 0 438.930 5.275 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000223475484 557476529 /nfs/dbraw/zinc/47/65/29/557476529.db2.gz YUZFWPPRCIMRSA-OAQYLSRUSA-N 0 0 444.641 5.338 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccccc4)cc3O)oc2c1 ZINC000017096517 557476586 /nfs/dbraw/zinc/47/65/86/557476586.db2.gz SVQHWMGXLRCPRQ-XYOKQWHBSA-N 0 0 429.501 5.035 40 0 IKABRN Cc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000017096512 557476668 /nfs/dbraw/zinc/47/66/68/557476668.db2.gz RFTOYYMELSEVGF-UHFFFAOYSA-N 0 0 429.501 5.120 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 ZINC000017096599 557476783 /nfs/dbraw/zinc/47/67/83/557476783.db2.gz AAOPZOAVORQHMQ-UHFFFAOYSA-N 0 0 429.545 5.801 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000017096600 557476788 /nfs/dbraw/zinc/47/67/88/557476788.db2.gz DTPBCYWDNMOWTR-UHFFFAOYSA-N 0 0 429.545 5.855 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000017096596 557476849 /nfs/dbraw/zinc/47/68/49/557476849.db2.gz PRYIQLMCMXIIRX-UHFFFAOYSA-N 0 0 429.545 5.801 40 0 IKABRN CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccccc4)cc3)nc2c1 ZINC000017096605 557476916 /nfs/dbraw/zinc/47/69/16/557476916.db2.gz LFWSLZINSTVOLU-UHFFFAOYSA-N 0 0 429.545 5.423 40 0 IKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 ZINC000017096591 557476923 /nfs/dbraw/zinc/47/69/23/557476923.db2.gz PNZZBOUOGQVWCH-UHFFFAOYSA-N 0 0 429.545 5.855 40 0 IKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000017096644 557477138 /nfs/dbraw/zinc/47/71/38/557477138.db2.gz HWMZNLMWFXUUPR-IBGZPJMESA-N 0 0 429.589 5.859 40 0 IKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)C=Cc1ccccc1 ZINC000017096636 557477154 /nfs/dbraw/zinc/47/71/54/557477154.db2.gz SPZKKUDCTYXQBP-SDNWHVSQSA-N 0 0 429.570 5.798 40 0 IKABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223480198 557477153 /nfs/dbraw/zinc/47/71/53/557477153.db2.gz NGGQPKDTQTUVJU-SANMLTNESA-N 0 0 436.571 5.702 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)cc1 ZINC000017096608 557477178 /nfs/dbraw/zinc/47/71/78/557477178.db2.gz XZQWCJPKPSJWDZ-UHFFFAOYSA-N 0 0 429.545 5.746 40 0 IKABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000223481586 557477254 /nfs/dbraw/zinc/47/72/54/557477254.db2.gz HFTNJYUTRJCCCI-AREMUKBSSA-N 0 0 448.538 5.021 40 0 IKABRN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 ZINC000017096724 557477476 /nfs/dbraw/zinc/47/74/76/557477476.db2.gz WLPASGHQVPGVMF-UHFFFAOYSA-N 0 0 429.973 6.131 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000017096759 557477674 /nfs/dbraw/zinc/47/76/74/557477674.db2.gz IKIDIVGFRXJSMR-CSKARUKUSA-N 0 0 430.287 6.082 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c(F)c1F ZINC000017096800 557477711 /nfs/dbraw/zinc/47/77/11/557477711.db2.gz IWWQFGKINNFHAH-UHFFFAOYSA-N 0 0 430.357 5.621 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c(F)c1F ZINC000017096801 557477718 /nfs/dbraw/zinc/47/77/18/557477718.db2.gz OBVQKCHOFMESJZ-UHFFFAOYSA-N 0 0 430.357 5.621 40 0 IKABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223484677 557477853 /nfs/dbraw/zinc/47/78/53/557477853.db2.gz OYVKIYXTRGYCAQ-RUZDIDTESA-N 0 0 436.571 5.558 40 0 IKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccc(C)cc1C ZINC000017096934 557477842 /nfs/dbraw/zinc/47/78/42/557477842.db2.gz VVSCAASZKFKOPV-UHFFFAOYSA-N 0 0 430.504 5.755 40 0 IKABRN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cccc(OCc2ccccc2)c1 ZINC000017096831 557477874 /nfs/dbraw/zinc/47/78/74/557477874.db2.gz SCEMPYIOMQIXAU-UHFFFAOYSA-N 0 0 430.451 5.411 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 ZINC000017096936 557477928 /nfs/dbraw/zinc/47/79/28/557477928.db2.gz RQHOYTHDYFJBBG-KRWDZBQOSA-N 0 0 430.504 6.034 40 0 IKABRN CCC(C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 ZINC000017097140 557478385 /nfs/dbraw/zinc/47/83/85/557478385.db2.gz XNALGOFWWWYRGY-QGZVFWFLSA-N 0 0 430.573 6.803 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000017097345 557478524 /nfs/dbraw/zinc/47/85/24/557478524.db2.gz OBMNZONSOCVGRO-UHFFFAOYSA-N 0 0 431.250 6.202 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3)nc2c1 ZINC000017097265 557478526 /nfs/dbraw/zinc/47/85/26/557478526.db2.gz ITMZOLCJVJKYJQ-CVDFKLHSSA-N 0 0 430.935 7.314 40 0 IKABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223488935 557478601 /nfs/dbraw/zinc/47/86/01/557478601.db2.gz NTUXDFIJMWUKIE-SANMLTNESA-N 0 0 432.539 5.055 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000017097343 557478556 /nfs/dbraw/zinc/47/85/56/557478556.db2.gz CHEXPRBJGQFJIK-UHFFFAOYSA-N 0 0 431.250 6.202 40 0 IKABRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017097249 557478590 /nfs/dbraw/zinc/47/85/90/557478590.db2.gz YCOSAYNZYMPOFE-UHFFFAOYSA-N 0 0 430.916 7.129 40 0 IKABRN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 ZINC000017097403 557478769 /nfs/dbraw/zinc/47/87/69/557478769.db2.gz KIWCLDKEPMKAPR-UHFFFAOYSA-N 0 0 431.344 5.699 40 0 IKABRN COc1cc(NC(=O)c2cccc(Br)c2)ccc1NC(=O)c1cccs1 ZINC000017097372 557478779 /nfs/dbraw/zinc/47/87/79/557478779.db2.gz XEXWZUHJAJJOHW-UHFFFAOYSA-N 0 0 431.311 5.024 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)cc3)o2)cc1Cl ZINC000017097405 557478795 /nfs/dbraw/zinc/47/87/95/557478795.db2.gz JBYQPRPXPYHQBH-PKNBQFBNSA-N 0 0 431.344 6.088 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3O)oc2c1 ZINC000017097534 557479220 /nfs/dbraw/zinc/47/92/20/557479220.db2.gz HNTQIUWKNVNFGP-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 ZINC000017097523 557479264 /nfs/dbraw/zinc/47/92/64/557479264.db2.gz SVNYQKWKDVIKAF-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3O)nc2c1 ZINC000017097549 557479270 /nfs/dbraw/zinc/47/92/70/557479270.db2.gz MGGPOVADELQHSF-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 ZINC000017097544 557479276 /nfs/dbraw/zinc/47/92/76/557479276.db2.gz HTXHGSNPUFMKJM-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000017097636 557479440 /nfs/dbraw/zinc/47/94/40/557479440.db2.gz LRDACWHDVAESLE-UHFFFAOYSA-N 0 0 431.561 5.118 40 0 IKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc2c(Cl)cccc12 ZINC000017097701 557479672 /nfs/dbraw/zinc/47/96/72/557479672.db2.gz DMTVEJPYYLPPON-UHFFFAOYSA-N 0 0 431.702 7.417 40 0 IKABRN Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c(Cl)c1 ZINC000017097702 557479680 /nfs/dbraw/zinc/47/96/80/557479680.db2.gz LOJVERIKDARQTN-UHFFFAOYSA-N 0 0 431.706 7.016 40 0 IKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)nc21 ZINC000017097671 557479682 /nfs/dbraw/zinc/47/96/82/557479682.db2.gz FFOAUBMCZULTSS-UHFFFAOYSA-N 0 0 431.586 5.558 40 0 IKABRN O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)C(Cl)(Cl)Cl ZINC000017097703 557479687 /nfs/dbraw/zinc/47/96/87/557479687.db2.gz BRCPZKBHZNAFDO-UHFFFAOYSA-N 0 0 431.706 6.471 40 0 IKABRN O=C(C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)NNc1ccccc1 ZINC000017097823 557479950 /nfs/dbraw/zinc/47/99/50/557479950.db2.gz AQZPDNNJRKHSJP-DHZHZOJOSA-N 0 0 432.332 5.284 40 0 IKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000017097773 557479963 /nfs/dbraw/zinc/47/99/63/557479963.db2.gz SQBJXQOCGUDNOD-UHFFFAOYSA-N 0 0 431.989 5.102 40 0 IKABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000017097919 557480203 /nfs/dbraw/zinc/48/02/03/557480203.db2.gz UGDNGVGDXKZCLR-UHFFFAOYSA-N 0 0 432.476 5.034 40 0 IKABRN CCCCOc1ccc(C(=O)N(Cc2ccncc2)c2ccc(C(=O)OCC)cc2)cc1 ZINC000017097992 557480400 /nfs/dbraw/zinc/48/04/00/557480400.db2.gz LXSVNGFRHHNAKT-UHFFFAOYSA-N 0 0 432.520 5.284 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223507632 557480438 /nfs/dbraw/zinc/48/04/38/557480438.db2.gz SEVRKCYAORJNHG-NRFANRHFSA-N 0 0 438.612 5.085 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(OCC(C)C)c2)cc1 ZINC000017097987 557480448 /nfs/dbraw/zinc/48/04/48/557480448.db2.gz OAWZZDSQEYPCIT-UHFFFAOYSA-N 0 0 432.520 5.140 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3o2)c1 ZINC000017097996 557480480 /nfs/dbraw/zinc/48/04/80/557480480.db2.gz PBYREAXNHJKIAX-UHFFFAOYSA-N 0 0 432.523 6.882 40 0 IKABRN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1cccnc1Cl ZINC000017098196 557480578 /nfs/dbraw/zinc/48/05/78/557480578.db2.gz DBBIBSFGCBIKRE-UHFFFAOYSA-N 0 0 432.694 6.411 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2)c(C)c1 ZINC000017098247 557480599 /nfs/dbraw/zinc/48/05/99/557480599.db2.gz VGNQCHLUJOQSNH-UHFFFAOYSA-N 0 0 432.932 7.232 40 0 IKABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000017098258 557480646 /nfs/dbraw/zinc/48/06/46/557480646.db2.gz IEGSAXQYZHSOOI-JLHYYAGUSA-N 0 0 432.936 5.410 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1C ZINC000223510139 557480652 /nfs/dbraw/zinc/48/06/52/557480652.db2.gz DIZYHALUHNZOGB-DQEYMECFSA-N 0 0 439.588 5.057 40 0 IKABRN O=C(NCCOc1cccc2ccccc21)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223509854 557480653 /nfs/dbraw/zinc/48/06/53/557480653.db2.gz IYWILYHNZZKVPX-LYBHJNIJSA-N 0 0 427.931 6.229 40 0 IKABRN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccc2c(Cl)cccc12 ZINC000017098317 557480739 /nfs/dbraw/zinc/48/07/39/557480739.db2.gz VIMIZMAENSJDCI-UHFFFAOYSA-N 0 0 433.294 7.207 40 0 IKABRN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cccc2c(Cl)cccc12 ZINC000017098316 557480743 /nfs/dbraw/zinc/48/07/43/557480743.db2.gz KJIPFZDUZPPWCZ-UHFFFAOYSA-N 0 0 433.294 7.207 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc2ccc(F)cc2s1 ZINC000017098309 557480746 /nfs/dbraw/zinc/48/07/46/557480746.db2.gz PORZPOGTUFXWGZ-ZZXKWVIFSA-N 0 0 433.291 6.654 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccc1O ZINC000017098329 557480751 /nfs/dbraw/zinc/48/07/51/557480751.db2.gz JLNRHUAHHBTGMM-JXMROGBWSA-N 0 0 433.316 5.485 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc2ccc(F)cc2s1 ZINC000017098310 557480802 /nfs/dbraw/zinc/48/08/02/557480802.db2.gz HTHYKIMPRAUWKS-XBXARRHUSA-N 0 0 433.291 6.654 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223511407 557480947 /nfs/dbraw/zinc/48/09/47/557480947.db2.gz RWHURRRQPJYIOE-NRFANRHFSA-N 0 0 446.591 5.115 40 0 IKABRN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4cccc(F)c4)c3C)oc2cc1C ZINC000017098440 557481001 /nfs/dbraw/zinc/48/10/01/557481001.db2.gz RTMQNYKGRJBDRT-UHFFFAOYSA-N 0 0 433.508 5.686 40 0 IKABRN CC(C)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000017098349 557481069 /nfs/dbraw/zinc/48/10/69/557481069.db2.gz QGQSYIBXMBIALJ-UHFFFAOYSA-N 0 0 433.360 6.504 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccncc1 ZINC000223511891 557481095 /nfs/dbraw/zinc/48/10/95/557481095.db2.gz GXZUFTAAOTXXJH-XZOQPEGZSA-N 0 0 446.963 5.563 40 0 IKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1cc(Cl)ccc1C ZINC000017098468 557481167 /nfs/dbraw/zinc/48/11/67/557481167.db2.gz WMAQMGXCUKCEJU-UHFFFAOYSA-N 0 0 433.527 5.434 40 0 IKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000223514125 557481328 /nfs/dbraw/zinc/48/13/28/557481328.db2.gz IBXUBYJIOLXLOA-UHFFFAOYSA-N 0 0 439.939 6.590 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000017098550 557481434 /nfs/dbraw/zinc/48/14/34/557481434.db2.gz LAAFVEHIJZWQPR-UHFFFAOYSA-N 0 0 433.558 5.407 40 0 IKABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(C)cc1 ZINC000017098542 557481441 /nfs/dbraw/zinc/48/14/41/557481441.db2.gz KOBJHHFNXITEEL-UHFFFAOYSA-N 0 0 433.558 5.407 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000017098555 557481445 /nfs/dbraw/zinc/48/14/45/557481445.db2.gz ZWNRCVBESAYULW-UHFFFAOYSA-N 0 0 433.558 5.413 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1 ZINC000017098543 557481476 /nfs/dbraw/zinc/48/14/76/557481476.db2.gz CDXWJLVFAAFLPL-UHFFFAOYSA-N 0 0 433.558 5.413 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223517091 557481547 /nfs/dbraw/zinc/48/15/47/557481547.db2.gz PDDLVWUWTXSWJU-LJQANCHMSA-N 0 0 447.044 5.198 40 0 IKABRN CCc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000017098713 557481853 /nfs/dbraw/zinc/48/18/53/557481853.db2.gz SEYKZHHTZOUNQH-UHFFFAOYSA-N 0 0 433.983 5.477 40 0 IKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000017099222 557482193 /nfs/dbraw/zinc/48/21/93/557482193.db2.gz VIVGSXLWKKJVCN-UHFFFAOYSA-N 0 0 434.879 5.664 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)cc3F)o2)cc1Cl ZINC000017099200 557482198 /nfs/dbraw/zinc/48/21/98/557482198.db2.gz NZCLNBKHLSJQMV-RMKNXTFCSA-N 0 0 434.692 6.462 40 0 IKABRN O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccc(O)cc1)Nc1ccccc1S2 ZINC000017099237 557482405 /nfs/dbraw/zinc/48/24/05/557482405.db2.gz ITFCLETXCQQVRB-FQEVSTJZSA-N 0 0 434.904 5.132 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1 ZINC000017099270 557482439 /nfs/dbraw/zinc/48/24/39/557482439.db2.gz HEDINXBEBZUIIW-MRXNPFEDSA-N 0 0 434.923 6.679 40 0 IKABRN CC1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2Cl)CC1 ZINC000017099339 557482581 /nfs/dbraw/zinc/48/25/81/557482581.db2.gz YWIQGHIUFNRTQN-UHFFFAOYSA-N 0 0 434.967 6.408 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1C ZINC000017099329 557482636 /nfs/dbraw/zinc/48/26/36/557482636.db2.gz IVHCAHHYJDSEPG-UHFFFAOYSA-N 0 0 434.952 5.627 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1 ZINC000017099330 557482649 /nfs/dbraw/zinc/48/26/49/557482649.db2.gz BWUWVQMWFZQDEM-UHFFFAOYSA-N 0 0 434.952 5.627 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccc1F ZINC000017099401 557482842 /nfs/dbraw/zinc/48/28/42/557482842.db2.gz MKAALCBFIROQHW-SOFGYWHQSA-N 0 0 435.307 5.919 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(F)cc1 ZINC000017099399 557482889 /nfs/dbraw/zinc/48/28/89/557482889.db2.gz GBZBUTATRUNMIK-JXMROGBWSA-N 0 0 435.307 5.919 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCCC1 ZINC000223532716 557482896 /nfs/dbraw/zinc/48/28/96/557482896.db2.gz OCTBWEPBFYQJCR-RPBOFIJWSA-N 0 0 445.636 5.573 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCCC1 ZINC000223532751 557482907 /nfs/dbraw/zinc/48/29/07/557482907.db2.gz OCTBWEPBFYQJCR-LOSJGSFVSA-N 0 0 445.636 5.573 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCCC1 ZINC000223532668 557482929 /nfs/dbraw/zinc/48/29/29/557482929.db2.gz OCTBWEPBFYQJCR-JWQCQUIFSA-N 0 0 445.636 5.573 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3O)nc2c1 ZINC000017099495 557483069 /nfs/dbraw/zinc/48/30/69/557483069.db2.gz NXRBDGALMJNSPX-UHFFFAOYSA-N 0 0 435.480 5.029 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1Cl ZINC000017099630 557483208 /nfs/dbraw/zinc/48/32/08/557483208.db2.gz YEDAZHGXJGVWAN-GORDUTHDSA-N 0 0 435.532 6.070 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 ZINC000017099604 557483238 /nfs/dbraw/zinc/48/32/38/557483238.db2.gz ZOGXNZGKMISVQX-UHFFFAOYSA-N 0 0 435.515 5.439 40 0 IKABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3O)oc2c(C)c1 ZINC000017099502 557483302 /nfs/dbraw/zinc/48/33/02/557483302.db2.gz WMEOMPLJPDOLHK-UHFFFAOYSA-N 0 0 435.480 5.083 40 0 IKABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000223540197 557483341 /nfs/dbraw/zinc/48/33/41/557483341.db2.gz DVUQMXFTOYAVAI-LJQANCHMSA-N 0 0 436.577 5.158 40 0 IKABRN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017099707 557483488 /nfs/dbraw/zinc/48/34/88/557483488.db2.gz XGCMFXXOSSKIEB-UHFFFAOYSA-N 0 0 435.738 6.759 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 ZINC000017099764 557483493 /nfs/dbraw/zinc/48/34/93/557483493.db2.gz KVLTWKCDKVDKHU-UHFFFAOYSA-N 0 0 435.911 5.858 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223541548 557483527 /nfs/dbraw/zinc/48/35/27/557483527.db2.gz APUIRDJZBWBBBN-HXUWFJFHSA-N 0 0 435.395 5.258 40 0 IKABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223544917 557483677 /nfs/dbraw/zinc/48/36/77/557483677.db2.gz OWYLFDFGIZWEBZ-SANMLTNESA-N 0 0 434.580 5.182 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223543742 557483682 /nfs/dbraw/zinc/48/36/82/557483682.db2.gz JCEMPZHBLFSZRG-JOCHJYFZSA-N 0 0 436.640 5.293 40 0 IKABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc(C)c1 ZINC000017094257 557484178 /nfs/dbraw/zinc/48/41/78/557484178.db2.gz JOSFRXVFORPIGV-VOTSOKGWSA-N 0 0 425.120 5.181 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000017094254 557484207 /nfs/dbraw/zinc/48/42/07/557484207.db2.gz PKFYIJJNKQUVRL-UHFFFAOYSA-N 0 0 425.109 6.170 40 0 IKABRN Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)c1 ZINC000017094293 557484209 /nfs/dbraw/zinc/48/42/09/557484209.db2.gz FINWFQHUPMVWKJ-UHFFFAOYSA-N 0 0 425.315 6.979 40 0 IKABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000223548190 557484411 /nfs/dbraw/zinc/48/44/11/557484411.db2.gz AAGSAOCHYYVFPY-QFIPXVFZSA-N 0 0 444.641 5.140 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000223548128 557484416 /nfs/dbraw/zinc/48/44/16/557484416.db2.gz AAGSAOCHYYVFPY-JOCHJYFZSA-N 0 0 444.641 5.140 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000017094318 557484407 /nfs/dbraw/zinc/48/44/07/557484407.db2.gz AKOXUXGHCXZMMV-KPKJPENVSA-N 0 0 425.340 6.922 40 0 IKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C1 ZINC000017094332 557484439 /nfs/dbraw/zinc/48/44/39/557484439.db2.gz MACKPRPEZVGVIQ-SNVBAGLBSA-N 0 0 425.381 5.557 40 0 IKABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223549372 557484488 /nfs/dbraw/zinc/48/44/88/557484488.db2.gz ILTPIFSSFJPZQA-MHZLTWQESA-N 0 0 448.607 5.572 40 0 IKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000017094569 557484642 /nfs/dbraw/zinc/48/46/42/557484642.db2.gz LVMSBKBNXYHZMF-UHFFFAOYSA-N 0 0 425.598 5.085 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2cc(C)ccc2C)cc1 ZINC000223550314 557484679 /nfs/dbraw/zinc/48/46/79/557484679.db2.gz BRKRCGLFZORBOL-UHFFFAOYSA-N 0 0 444.641 5.138 40 0 IKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCC(C)CC2)cc1 ZINC000017094572 557484659 /nfs/dbraw/zinc/48/46/59/557484659.db2.gz LOJZKBWAVWXSIX-UHFFFAOYSA-N 0 0 425.598 5.085 40 0 IKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 ZINC000017094567 557484670 /nfs/dbraw/zinc/48/46/70/557484670.db2.gz PPVMOIQFDCCSEZ-GOSISDBHSA-N 0 0 425.598 5.371 40 0 IKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 ZINC000017094566 557484677 /nfs/dbraw/zinc/48/46/77/557484677.db2.gz PPVMOIQFDCCSEZ-SFHVURJKSA-N 0 0 425.598 5.371 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccn1 ZINC000223551037 557484727 /nfs/dbraw/zinc/48/47/27/557484727.db2.gz OLKPFSAZFWIUEG-XZOQPEGZSA-N 0 0 444.585 5.394 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000017094707 557484793 /nfs/dbraw/zinc/48/47/93/557484793.db2.gz VMSINFSPVVPGCK-FNORWQNLSA-N 0 0 426.221 6.924 40 0 IKABRN CC(=O)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 ZINC000017094703 557484863 /nfs/dbraw/zinc/48/48/63/557484863.db2.gz KPAJZPPMDGVDIJ-UHFFFAOYSA-N 0 0 426.133 5.447 40 0 IKABRN Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 ZINC000223551765 557484989 /nfs/dbraw/zinc/48/49/89/557484989.db2.gz FEOCKSLRNKJUSD-DHIUTWEWSA-N 0 0 430.508 5.048 40 0 IKABRN Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 ZINC000223551927 557485020 /nfs/dbraw/zinc/48/50/20/557485020.db2.gz FEOCKSLRNKJUSD-GOTSBHOMSA-N 0 0 430.508 5.048 40 0 IKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1cccc2ccccc21 ZINC000017094804 557485092 /nfs/dbraw/zinc/48/50/92/557485092.db2.gz RAAUXTBNKDGLKZ-UHFFFAOYSA-N 0 0 426.451 5.039 40 0 IKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc2ccccc2c1 ZINC000017094803 557485112 /nfs/dbraw/zinc/48/51/12/557485112.db2.gz QLEPLIBFLVPDKX-UHFFFAOYSA-N 0 0 426.451 5.039 40 0 IKABRN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4Cl)c3)nc2c1 ZINC000017094727 557485125 /nfs/dbraw/zinc/48/51/25/557485125.db2.gz KAPDCCIOEMEJCA-UHFFFAOYSA-N 0 0 426.303 6.572 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2cc(C)cc(C)c2)cc1 ZINC000223552604 557485176 /nfs/dbraw/zinc/48/51/76/557485176.db2.gz TVPUGAXZDVYTEA-UHFFFAOYSA-N 0 0 444.641 5.138 40 0 IKABRN Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)nc21 ZINC000017094884 557485241 /nfs/dbraw/zinc/48/52/41/557485241.db2.gz YUKVLVIIJDVODY-UHFFFAOYSA-N 0 0 426.497 5.939 40 0 IKABRN Cc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21Nc2ccccc2S1 ZINC000017095086 557485448 /nfs/dbraw/zinc/48/54/48/557485448.db2.gz POMSHNKGWLIECI-SXOMAYOGSA-N 0 0 426.585 6.201 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)nc2c1 ZINC000017095170 557485476 /nfs/dbraw/zinc/48/54/76/557485476.db2.gz XWKHNWOHRDWKNM-UHFFFAOYSA-N 0 0 426.903 7.116 40 0 IKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000017095217 557485655 /nfs/dbraw/zinc/48/56/55/557485655.db2.gz BPTFGJKIJCBSHM-AWEZNQCLSA-N 0 0 426.969 6.549 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)c1 ZINC000017095171 557485680 /nfs/dbraw/zinc/48/56/80/557485680.db2.gz WWCOHIVDUHHDSD-UHFFFAOYSA-N 0 0 426.903 7.171 40 0 IKABRN CCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000017095196 557485708 /nfs/dbraw/zinc/48/57/08/557485708.db2.gz QIWFAVVZZPBHPK-UHFFFAOYSA-N 0 0 426.925 5.187 40 0 IKABRN Cc1cc2nc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)oc2cc1C ZINC000017095174 557485714 /nfs/dbraw/zinc/48/57/14/557485714.db2.gz ZBABXAXDYIBNRN-UHFFFAOYSA-N 0 0 426.903 7.171 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000017095220 557485744 /nfs/dbraw/zinc/48/57/44/557485744.db2.gz WKCWUFLCOLLHBA-UHFFFAOYSA-N 0 0 426.969 6.529 40 0 IKABRN O=C(COc1cccc2ccccc21)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017095260 557485907 /nfs/dbraw/zinc/48/59/07/557485907.db2.gz UIJRHIZQSORQOS-UHFFFAOYSA-N 0 0 427.283 6.529 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000017095270 557485930 /nfs/dbraw/zinc/48/59/30/557485930.db2.gz OXXLQJPHWWQLNC-UHFFFAOYSA-N 0 0 427.287 6.371 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1Cl ZINC000017095266 557485959 /nfs/dbraw/zinc/48/59/59/557485959.db2.gz GTRVALHVHPDCEB-UHFFFAOYSA-N 0 0 427.287 6.128 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCCC2)cc1 ZINC000017095313 557486139 /nfs/dbraw/zinc/48/61/39/557486139.db2.gz DZIIICQDUYHHFX-FMIVXFBMSA-N 0 0 427.331 6.506 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000223563308 557486424 /nfs/dbraw/zinc/48/64/24/557486424.db2.gz KGCGLRSIIIFIES-QFIPXVFZSA-N 0 0 447.044 5.297 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223563180 557486431 /nfs/dbraw/zinc/48/64/31/557486431.db2.gz CXZZNRDWCGZDJY-DEOSSOPVSA-N 0 0 440.653 5.260 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223563570 557486854 /nfs/dbraw/zinc/48/68/54/557486854.db2.gz CBHRNXUIPQYRPE-QFIPXVFZSA-N 0 0 447.044 5.297 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 ZINC000017095824 557486899 /nfs/dbraw/zinc/48/68/99/557486899.db2.gz PNVVMRZQVYZVRT-QGZVFWFLSA-N 0 0 428.488 5.018 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000223564250 557486883 /nfs/dbraw/zinc/48/68/83/557486883.db2.gz KMARWZMWCCMHIE-QHCPKHFHSA-N 0 0 426.626 5.201 40 0 IKABRN CCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1 ZINC000017095927 557486993 /nfs/dbraw/zinc/48/69/93/557486993.db2.gz IENYWXCJIAOMSM-GOSISDBHSA-N 0 0 428.532 7.049 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccccc1 ZINC000223568516 557486980 /nfs/dbraw/zinc/48/69/80/557486980.db2.gz UOXNZXHOIVUGBW-UXHICEINSA-N 0 0 442.559 5.462 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 ZINC000017095874 557487025 /nfs/dbraw/zinc/48/70/25/557487025.db2.gz VGPJLSQRWUPJDM-UHFFFAOYSA-N 0 0 428.513 5.149 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 ZINC000017095940 557487322 /nfs/dbraw/zinc/48/73/22/557487322.db2.gz JJHJXZMGHFDCJI-KRWDZBQOSA-N 0 0 428.532 6.643 40 0 IKABRN Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1C ZINC000017095981 557487719 /nfs/dbraw/zinc/48/77/19/557487719.db2.gz WYJCXEYZKJJOHY-UHFFFAOYSA-N 0 0 428.536 5.487 40 0 IKABRN CCc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 ZINC000017095984 557487750 /nfs/dbraw/zinc/48/77/50/557487750.db2.gz UOBDZSXMHNYCQK-UHFFFAOYSA-N 0 0 428.536 5.432 40 0 IKABRN O=C(COc1cccc2ccccc21)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000017096182 557487867 /nfs/dbraw/zinc/48/78/67/557487867.db2.gz XQFGZSKNUHHMBR-UHFFFAOYSA-N 0 0 428.875 6.319 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000017096119 557487941 /nfs/dbraw/zinc/48/79/41/557487941.db2.gz OPKXTNAJFNGRMU-MRXNPFEDSA-N 0 0 428.598 5.429 40 0 IKABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc(F)c1 ZINC000017096271 557488131 /nfs/dbraw/zinc/48/81/31/557488131.db2.gz FNQVBNGBJCHAPU-AATRIKPKSA-N 0 0 429.083 5.011 40 0 IKABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(F)cc1 ZINC000017096273 557488152 /nfs/dbraw/zinc/48/81/52/557488152.db2.gz JQSKPJZDZNTAON-FARCUNLSSA-N 0 0 429.083 5.011 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc(Cl)c2Cl)cc1 ZINC000017096309 557488156 /nfs/dbraw/zinc/48/81/56/557488156.db2.gz LHSSVONRXGESKQ-UHFFFAOYSA-N 0 0 429.303 5.412 40 0 IKABRN COc1cc(NC(=O)c2ccc(C)c(Cl)c2)ccc1NC(=O)c1ccccc1Cl ZINC000017096308 557488192 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CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000017096316 557488366 /nfs/dbraw/zinc/48/83/66/557488366.db2.gz STKLWEFKVOCPAS-UHFFFAOYSA-N 0 0 429.303 5.412 40 0 IKABRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000017096365 557488558 /nfs/dbraw/zinc/48/85/58/557488558.db2.gz FBSBGUUBMWRZSZ-UHFFFAOYSA-N 0 0 429.347 6.742 40 0 IKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000017096373 557488573 /nfs/dbraw/zinc/48/85/73/557488573.db2.gz WQMINZFXHHKQAS-HNNXBMFYSA-N 0 0 429.347 6.885 40 0 IKABRN CC(C)c1ccc2oc(-c3ccc(NC(=O)COc4cccc5ccccc54)cc3)nc2c1 ZINC000017100272 557488812 /nfs/dbraw/zinc/48/88/12/557488812.db2.gz FKSINTJJXIYALR-UHFFFAOYSA-N 0 0 436.511 6.789 40 0 IKABRN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000017100276 557488854 /nfs/dbraw/zinc/48/88/54/557488854.db2.gz QAICXDIHBAJWJQ-UHFFFAOYSA-N 0 0 436.511 5.699 40 0 IKABRN CCc1ccc(-n2sc3c(c2=S)-c2cc(OC)cc4c2N(C(=O)C4=O)C3(C)C)cc1 ZINC000017100538 557489159 /nfs/dbraw/zinc/48/91/59/557489159.db2.gz GYJZAYYBZPYCFW-UHFFFAOYSA-N 0 0 436.558 5.284 40 0 IKABRN COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000017100651 557489336 /nfs/dbraw/zinc/48/93/36/557489336.db2.gz APMPJQOOFBHAFS-INIZCTEOSA-N 0 0 436.577 5.412 40 0 IKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000017100833 557489353 /nfs/dbraw/zinc/48/93/53/557489353.db2.gz LMQJUSSJGGSJSM-UHFFFAOYSA-N 0 0 436.895 6.035 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000017100926 557489567 /nfs/dbraw/zinc/48/95/67/557489567.db2.gz YADLXQKAIBBOET-KRWDZBQOSA-N 0 0 436.939 6.123 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000017100924 557489595 /nfs/dbraw/zinc/48/95/95/557489595.db2.gz YADLXQKAIBBOET-QGZVFWFLSA-N 0 0 436.939 6.123 40 0 IKABRN COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000017100912 557489643 /nfs/dbraw/zinc/48/96/43/557489643.db2.gz JAQKOUPNHGVGIE-UHFFFAOYSA-N 0 0 436.939 6.151 40 0 IKABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000223588687 557489699 /nfs/dbraw/zinc/48/96/99/557489699.db2.gz ARAIWQZKTFRNCM-OYADDEIPSA-N 0 0 434.561 5.022 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223589721 557489708 /nfs/dbraw/zinc/48/97/08/557489708.db2.gz NFPXAXHTSNUAMZ-GOSISDBHSA-N 0 0 433.017 5.074 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1Br ZINC000017101034 557489836 /nfs/dbraw/zinc/48/98/36/557489836.db2.gz KMXHBARAMQXPRY-JXMROGBWSA-N 0 0 437.120 6.668 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(Br)c1 ZINC000017101042 557489845 /nfs/dbraw/zinc/48/98/45/557489845.db2.gz TXPWBKFRMCWTHH-FNORWQNLSA-N 0 0 437.120 6.668 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223595889 557490159 /nfs/dbraw/zinc/49/01/59/557490159.db2.gz CFBHUWNEGWEKDP-XMMPIXPASA-N 0 0 438.612 5.087 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2Br)c1Cl ZINC000017101555 557490303 /nfs/dbraw/zinc/49/03/03/557490303.db2.gz JBRXEGQXUQCVKN-UHFFFAOYSA-N 0 0 437.548 6.044 40 0 IKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000017101677 557490357 /nfs/dbraw/zinc/49/03/57/557490357.db2.gz MMRXLLDSVMBNTR-UHFFFAOYSA-N 0 0 437.710 6.508 40 0 IKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1cccs1 ZINC000017101522 557490361 /nfs/dbraw/zinc/49/03/61/557490361.db2.gz GQPQWCRMIJSDQW-UHFFFAOYSA-N 0 0 437.546 5.309 40 0 IKABRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1 ZINC000017101673 557490366 /nfs/dbraw/zinc/49/03/66/557490366.db2.gz PAAFERZGYSFXSU-UHFFFAOYSA-N 0 0 437.668 5.248 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3O)oc2c1 ZINC000017101743 557490579 /nfs/dbraw/zinc/49/05/79/557490579.db2.gz LUDQCBMXOKMCOG-UHFFFAOYSA-N 0 0 437.908 5.289 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3O)oc2c1 ZINC000017101761 557490600 /nfs/dbraw/zinc/49/06/00/557490600.db2.gz DSVPJMLDJSBYJF-UHFFFAOYSA-N 0 0 437.908 5.289 40 0 IKABRN CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000223602991 557490744 /nfs/dbraw/zinc/49/07/44/557490744.db2.gz TVDHKHSWAYQRGB-UHFFFAOYSA-N 0 0 443.429 5.102 40 0 IKABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000017101980 557490746 /nfs/dbraw/zinc/49/07/46/557490746.db2.gz IMVHBXISMWLUBZ-RUDMXATFSA-N 0 0 438.361 5.138 40 0 IKABRN O=C(Cc1ccccc1)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000017101836 557490791 /nfs/dbraw/zinc/49/07/91/557490791.db2.gz YWSFBQHTICVMLJ-UHFFFAOYSA-N 0 0 437.977 5.672 40 0 IKABRN CC(C)(C)C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000017102014 557491008 /nfs/dbraw/zinc/49/10/08/557491008.db2.gz MYIBBPXWGNWYDX-UHFFFAOYSA-N 0 0 438.405 6.129 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 ZINC000017102426 557491238 /nfs/dbraw/zinc/49/12/38/557491238.db2.gz LHCPDRZQNWCNJU-INIZCTEOSA-N 0 0 438.549 5.540 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3)nc2c1 ZINC000017102664 557491299 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O=C(NCCOc1ccc2ccccc2c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000223620238 557492978 /nfs/dbraw/zinc/49/29/78/557492978.db2.gz BMAYFYRQESMYSJ-UHFFFAOYSA-N 0 0 443.568 5.820 40 0 IKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118912507 557493453 /nfs/dbraw/zinc/49/34/53/557493453.db2.gz VGSSUFQMXBFFTM-RUEXPLNMSA-N 0 0 448.732 6.190 40 0 in-man IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118932458 557493772 /nfs/dbraw/zinc/49/37/72/557493772.db2.gz QRSNTERZEKNKIZ-RFNSQPKESA-N 0 0 444.700 6.930 40 0 IKABRN COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118931351 557493781 /nfs/dbraw/zinc/49/37/81/557493781.db2.gz GAQBBTSXSYYOIK-JWFGUYJLSA-N 0 0 432.733 8.097 40 0 IKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCCO)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118931684 557493799 /nfs/dbraw/zinc/49/37/99/557493799.db2.gz 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ZINC000223631806 557494157 /nfs/dbraw/zinc/49/41/57/557494157.db2.gz TWXQHGIURFKLMP-PMACEKPBSA-N 0 0 448.375 5.003 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118935141 557494225 /nfs/dbraw/zinc/49/42/25/557494225.db2.gz KDJPNDQOTCHXMI-XYMBBBGQSA-N 0 0 446.716 7.010 40 0 IKABRN CC(=O)O/C=C(\C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118923196 557494441 /nfs/dbraw/zinc/49/44/41/557494441.db2.gz XMNVJWVQDFNIJF-GEKZWZTCSA-N 0 0 430.585 5.223 40 0 IKABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000223632366 557494550 /nfs/dbraw/zinc/49/45/50/557494550.db2.gz IJJXMWARWKYGJE-WOJBJXKFSA-N 0 0 448.375 5.003 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc4ccccc4)CC[C@@]32C)C1 ZINC000118925895 557494625 /nfs/dbraw/zinc/49/46/25/557494625.db2.gz XMWPQZREYSBONJ-LGDUKFTGSA-N 0 0 449.635 6.526 40 0 IKABRN 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CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl ZINC000223654301 557497797 /nfs/dbraw/zinc/49/77/97/557497797.db2.gz BUQUBTBRTNXNAY-QFIPXVFZSA-N 0 0 432.967 5.054 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 ZINC000223656213 557498215 /nfs/dbraw/zinc/49/82/15/557498215.db2.gz STAAWZFYDJVTBF-HSZRJFAPSA-N 0 0 426.626 5.119 40 0 IKABRN COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000108062704 557498643 /nfs/dbraw/zinc/49/86/43/557498643.db2.gz GOPGLMYUFJMGAC-UHFFFAOYSA-N 0 0 440.790 5.461 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl ZINC000223668322 557499759 /nfs/dbraw/zinc/49/97/59/557499759.db2.gz NEELQNYYMTXZNA-QFIPXVFZSA-N 0 0 445.003 5.003 40 0 IKABRN COc1ccc(/C=C(/C(=O)NCCOc2ccccc2C(C)(C)C)c2ccccc2)cc1 ZINC000223668663 557499763 /nfs/dbraw/zinc/49/97/63/557499763.db2.gz POTZDUJUMGUNOF-HIXSDJFHSA-N 0 0 429.560 5.729 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000223677404 557500775 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CC[C@@H](C)c1ccccc1NC(=O)c1cc(Br)cc(Br)c1OC ZINC000019633105 557502377 /nfs/dbraw/zinc/50/23/77/557502377.db2.gz PQHRRLCOVAWMIC-LLVKDONJSA-N 0 0 441.163 5.986 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)CSc2ccc(Cl)cc2)cc1 ZINC000019632925 557502427 /nfs/dbraw/zinc/50/24/27/557502427.db2.gz QARDSJCGFBPOQR-UHFFFAOYSA-N 0 0 440.952 5.237 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223690986 557502470 /nfs/dbraw/zinc/50/24/70/557502470.db2.gz KHIAPAPRKDUUFJ-VWLOTQADSA-N 0 0 438.612 5.221 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 ZINC000223691246 557502520 /nfs/dbraw/zinc/50/25/20/557502520.db2.gz KZXJQBUCAPNBLN-DEOSSOPVSA-N 0 0 440.653 5.342 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)Cc2ccccc2)cc1 ZINC000019635413 557502739 /nfs/dbraw/zinc/50/27/39/557502739.db2.gz WXXHCNXQIZRQJV-UHFFFAOYSA-N 0 0 442.342 5.946 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 ZINC000019636530 557502760 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425.550 5.209 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223693180 557502848 /nfs/dbraw/zinc/50/28/48/557502848.db2.gz FCXULPSXTZKLAW-QHCPKHFHSA-N 0 0 444.616 5.091 40 0 IKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1 ZINC000019636545 557503009 /nfs/dbraw/zinc/50/30/09/557503009.db2.gz XJQRYNGDQUQILL-RTBURBONSA-N 0 0 442.559 7.438 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)nc2c1 ZINC000019636588 557503045 /nfs/dbraw/zinc/50/30/45/557503045.db2.gz YGCJMMSZUYQGOA-IBGZPJMESA-N 0 0 442.559 7.295 40 0 IKABRN CCc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc([C@H](C)CC)cc4)c3)nc2c1 ZINC000019636607 557503079 /nfs/dbraw/zinc/50/30/79/557503079.db2.gz CEHPCGNPHTXBFC-GOSISDBHSA-N 0 0 442.559 6.897 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223694383 557503083 /nfs/dbraw/zinc/50/30/83/557503083.db2.gz YJKXMJSGPCEONN-AREMUKBSSA-N 0 0 436.640 5.775 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000019637075 557503161 /nfs/dbraw/zinc/50/31/61/557503161.db2.gz LOXIPFICLOBXFJ-NVXWUHKLSA-N 0 0 442.625 5.529 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4cc(Cl)c(C)cc4s3)o2)cc1Cl ZINC000019637769 557503168 /nfs/dbraw/zinc/50/31/68/557503168.db2.gz NJFSNFRKNKCUFL-SOFGYWHQSA-N 0 0 443.355 7.132 40 0 IKABRN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccc2c(Br)cccc12 ZINC000019637836 557503219 /nfs/dbraw/zinc/50/32/19/557503219.db2.gz CYRPDPOGENELAN-UHFFFAOYSA-N 0 0 443.410 5.175 40 0 IKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc(Br)c1 ZINC000019639191 557503505 /nfs/dbraw/zinc/50/35/05/557503505.db2.gz FGXQMUSGXOTCCQ-UHFFFAOYSA-N 0 0 443.753 6.632 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3)nc2c1 ZINC000019638920 557503517 /nfs/dbraw/zinc/50/35/17/557503517.db2.gz VKIIABNNPFEJTR-KRWDZBQOSA-N 0 0 443.572 6.444 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)nc2c1 ZINC000019638879 557503531 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557504813 /nfs/dbraw/zinc/50/48/13/557504813.db2.gz MUALGBYQUYFRHU-JOCHJYFZSA-N 0 0 446.959 5.989 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3)nc2c1 ZINC000019646190 557504832 /nfs/dbraw/zinc/50/48/32/557504832.db2.gz NCTGNLAWDKZSAW-OAHLLOKOSA-N 0 0 447.535 6.274 40 0 IKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000019645751 557504903 /nfs/dbraw/zinc/50/49/03/557504903.db2.gz XGLBHZMXYPVMCC-UHFFFAOYSA-N 0 0 447.391 5.061 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc4ncccc43)o2)cc1Cl ZINC000019646712 557505139 /nfs/dbraw/zinc/50/51/39/557505139.db2.gz XGVWXZZQZHYWFU-ZRDIBKRKSA-N 0 0 447.947 5.983 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000223715352 557505275 /nfs/dbraw/zinc/50/52/75/557505275.db2.gz HSNODDOIGXLDPN-SANMLTNESA-N 0 0 444.619 5.537 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000223715403 557505358 /nfs/dbraw/zinc/50/53/58/557505358.db2.gz HSNODDOIGXLDPN-AREMUKBSSA-N 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CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2c1 ZINC000019648621 557506095 /nfs/dbraw/zinc/50/60/95/557506095.db2.gz XJPROJGMRFQTKB-HNNXBMFYSA-N 0 0 449.348 7.023 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223721213 557506209 /nfs/dbraw/zinc/50/62/09/557506209.db2.gz ZPDSYXAAWOMBTL-SFHVURJKSA-N 0 0 445.028 5.049 40 0 IKABRN COc1ccc(Nc2ccc(NC(=S)Nc3cc(OC)c(OC)c(OC)c3)cc2)cc1 ZINC000019630017 557506548 /nfs/dbraw/zinc/50/65/48/557506548.db2.gz SMORDLNLDXAPDF-UHFFFAOYSA-N 0 0 439.537 5.274 40 0 IKABRN Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000019630599 557506582 /nfs/dbraw/zinc/50/65/82/557506582.db2.gz RMFOAMBISBGJKC-UHFFFAOYSA-N 0 0 439.751 6.342 40 0 IKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 ZINC000019629796 557506606 /nfs/dbraw/zinc/50/66/06/557506606.db2.gz DKPDCCSISVEVBM-UHFFFAOYSA-N 0 0 439.519 5.574 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1Cl ZINC000019631044 557506754 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Cc1cc2nc(-c3cc(NC(N)=S)c(Cl)cc3Cl)oc2c(Br)c1C ZINC000020156934 557509059 /nfs/dbraw/zinc/50/90/59/557509059.db2.gz ANALJQGYNNTPJR-UHFFFAOYSA-N 0 0 445.169 5.836 40 0 IKABRN Cc1cc2nc(-c3ccc(I)cc3)oc2c(Br)c1C ZINC000020156791 557509062 /nfs/dbraw/zinc/50/90/62/557509062.db2.gz JJRXMPAMCUETQQ-UHFFFAOYSA-N 0 0 428.067 5.479 40 0 IKABRN COC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000118075410 557509092 /nfs/dbraw/zinc/50/90/92/557509092.db2.gz LYUKJPSMOGBDCO-QWRGUYRKSA-N 0 0 447.698 5.311 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223754196 557509416 /nfs/dbraw/zinc/50/94/16/557509416.db2.gz WCIOTFHBNHQZRV-SFHVURJKSA-N 0 0 429.004 5.124 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1 ZINC000223756158 557509634 /nfs/dbraw/zinc/50/96/34/557509634.db2.gz AZHIIVNTCHMYNQ-JWQCQUIFSA-N 0 0 446.620 5.801 40 0 IKABRN Cc1ccccc1CSCC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC1CCCC1 ZINC000223758175 557509874 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CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223780561 557512253 /nfs/dbraw/zinc/51/22/53/557512253.db2.gz VCPSFERNLCMHOO-HSZRJFAPSA-N 0 0 429.004 5.223 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223779888 557512261 /nfs/dbraw/zinc/51/22/61/557512261.db2.gz ZOAXGESRCNKWFW-ZEQRLZLVSA-N 0 0 426.545 5.058 40 0 IKABRN CCc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)sc2c3CCCC2)cc1 ZINC000019996388 557512509 /nfs/dbraw/zinc/51/25/09/557512509.db2.gz OVCAYHRZKRLRIV-UHFFFAOYSA-N 0 0 443.572 5.205 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223781361 557512501 /nfs/dbraw/zinc/51/25/01/557512501.db2.gz HWJBYUYBBLHVRI-GOSISDBHSA-N 0 0 433.017 5.074 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(CC)cc1 ZINC000223782886 557512690 /nfs/dbraw/zinc/51/26/90/557512690.db2.gz QEZXAAJWDVYSMQ-QHCPKHFHSA-N 0 0 445.003 5.005 40 0 IKABRN Cc1ccccc1CN(C(=O)CCc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223786466 557513070 /nfs/dbraw/zinc/51/30/70/557513070.db2.gz OSGCYAACUDTLCG-IBGZPJMESA-N 0 0 426.988 5.057 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 ZINC000223786280 557513110 /nfs/dbraw/zinc/51/31/10/557513110.db2.gz RAHWKKYSBOHLBL-XMMPIXPASA-N 0 0 443.031 5.559 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000223789641 557513578 /nfs/dbraw/zinc/51/35/78/557513578.db2.gz YFWRRIJJASKVGP-ZEQRLZLVSA-N 0 0 432.593 5.411 40 0 IKABRN CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000223792478 557514078 /nfs/dbraw/zinc/51/40/78/557514078.db2.gz IQRXZIWDIBOTGV-NRFANRHFSA-N 0 0 444.641 5.216 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223793490 557514337 /nfs/dbraw/zinc/51/43/37/557514337.db2.gz OIVKEBPLDBWJCO-OAQYLSRUSA-N 0 0 435.395 5.260 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223795764 557514604 /nfs/dbraw/zinc/51/46/04/557514604.db2.gz DZOIIIGGIUQXIK-QFIPXVFZSA-N 0 0 447.044 5.464 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223795711 557514610 /nfs/dbraw/zinc/51/46/10/557514610.db2.gz DZOIIIGGIUQXIK-JOCHJYFZSA-N 0 0 447.044 5.464 40 0 IKABRN Cc1ccc(SCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223794666 557514611 /nfs/dbraw/zinc/51/46/11/557514611.db2.gz QDFOIIHVKYDNTD-OAQYLSRUSA-N 0 0 438.637 5.262 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000223797975 557514705 /nfs/dbraw/zinc/51/47/05/557514705.db2.gz JCWSKJWQZYZWLL-FQEVSTJZSA-N 0 0 435.539 5.920 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000223798029 557514810 /nfs/dbraw/zinc/51/48/10/557514810.db2.gz JCWSKJWQZYZWLL-HXUWFJFHSA-N 0 0 435.539 5.920 40 0 IKABRN Cc1cccc(CN(C(=O)COc2cccc3ccccc32)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223805603 557515209 /nfs/dbraw/zinc/51/52/09/557515209.db2.gz OQMMRHOUUQJJRF-NRFANRHFSA-N 0 0 444.575 5.003 40 0 IKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223806280 557515420 /nfs/dbraw/zinc/51/54/20/557515420.db2.gz IQRQVRTZJIMMHT-QFIPXVFZSA-N 0 0 434.624 5.527 40 0 IKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223806293 557515447 /nfs/dbraw/zinc/51/54/47/557515447.db2.gz IQRQVRTZJIMMHT-JOCHJYFZSA-N 0 0 434.624 5.527 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223806493 557515451 /nfs/dbraw/zinc/51/54/51/557515451.db2.gz BWCWQZQFRWGIGI-QHCPKHFHSA-N 0 0 445.003 5.059 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223807207 557515508 /nfs/dbraw/zinc/51/55/08/557515508.db2.gz DYSFDVDPYWRORC-HSZRJFAPSA-N 0 0 445.003 5.005 40 0 IKABRN Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223807379 557515739 /nfs/dbraw/zinc/51/57/39/557515739.db2.gz UMGMPYNUVUJMIN-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223807732 557515746 /nfs/dbraw/zinc/51/57/46/557515746.db2.gz UHEOGYSCPCVHII-HSZRJFAPSA-N 0 0 429.004 5.223 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223809499 557515912 /nfs/dbraw/zinc/51/59/12/557515912.db2.gz WZMHRGAEBZAFQP-QHCPKHFHSA-N 0 0 444.616 5.091 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C ZINC000223808910 557515945 /nfs/dbraw/zinc/51/59/45/557515945.db2.gz PDLJNMABLLTKLD-QFIPXVFZSA-N 0 0 445.003 5.059 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 ZINC000223809627 557515974 /nfs/dbraw/zinc/51/59/74/557515974.db2.gz KMKQLJKCSYCHEU-QFIPXVFZSA-N 0 0 430.589 5.032 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 ZINC000223814722 557516697 /nfs/dbraw/zinc/51/66/97/557516697.db2.gz PTRKDQCSDJKTCZ-GOSISDBHSA-N 0 0 445.028 5.049 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223815026 557516762 /nfs/dbraw/zinc/51/67/62/557516762.db2.gz OKNBPAOUSKBYHA-DEOSSOPVSA-N 0 0 442.575 5.017 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C ZINC000223817668 557516957 /nfs/dbraw/zinc/51/69/57/557516957.db2.gz UMRBTHOXAAJKSL-HSZRJFAPSA-N 0 0 442.575 5.052 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223819409 557517133 /nfs/dbraw/zinc/51/71/33/557517133.db2.gz YCUACOKPSVAPTO-LJQANCHMSA-N 0 0 426.988 5.057 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223819377 557517158 /nfs/dbraw/zinc/51/71/58/557517158.db2.gz CYDHEIKESSAAPZ-MRXNPFEDSA-N 0 0 433.379 5.012 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223826109 557517611 /nfs/dbraw/zinc/51/76/11/557517611.db2.gz RDYQZMTVSCQXCB-LJQANCHMSA-N 0 0 443.031 5.514 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000223825685 557517667 /nfs/dbraw/zinc/51/76/67/557517667.db2.gz SACWAHZQQXPXCP-LOSJGSFVSA-N 0 0 446.620 5.964 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)c2cccc(C)c2)cc1 ZINC000020234917 557518240 /nfs/dbraw/zinc/51/82/40/557518240.db2.gz SYTUPYPTKIAXAX-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000223832295 557518404 /nfs/dbraw/zinc/51/84/04/557518404.db2.gz VKQPRRDYBSXHBA-GOSISDBHSA-N 0 0 445.028 5.298 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000223832242 557518460 /nfs/dbraw/zinc/51/84/60/557518460.db2.gz VKQPRRDYBSXHBA-SFHVURJKSA-N 0 0 445.028 5.298 40 0 IKABRN O=C(CSCc1cccc(Br)c1)NCCSCc1ccccc1Cl ZINC000020238274 557518961 /nfs/dbraw/zinc/51/89/61/557518961.db2.gz CAMROEKHWWIHMQ-UHFFFAOYSA-N 0 0 444.847 5.385 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223838335 557519124 /nfs/dbraw/zinc/51/91/24/557519124.db2.gz TXPZWHJDHDZSKB-LOSJGSFVSA-N 0 0 446.620 5.964 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223838280 557519128 /nfs/dbraw/zinc/51/91/28/557519128.db2.gz TXPZWHJDHDZSKB-RPBOFIJWSA-N 0 0 446.620 5.964 40 0 IKABRN Cc1ccc(SCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000020238863 557519161 /nfs/dbraw/zinc/51/91/61/557519161.db2.gz QMJGELRBYXJPCP-UHFFFAOYSA-N 0 0 428.022 6.463 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000020233633 557519213 /nfs/dbraw/zinc/51/92/13/557519213.db2.gz OEGMIJYPWIJTCY-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223841887 557519653 /nfs/dbraw/zinc/51/96/53/557519653.db2.gz WKPZLSIGPOGCAX-CQSZACIVSA-N 0 0 441.786 5.133 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000020369090 557519827 /nfs/dbraw/zinc/51/98/27/557519827.db2.gz QGNWYCQSEFQRES-UHFFFAOYSA-N 0 0 445.268 5.503 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl ZINC000020411203 557519993 /nfs/dbraw/zinc/51/99/93/557519993.db2.gz BAYVBMVQOAGYFI-UHFFFAOYSA-N 0 0 434.923 6.923 40 0 IKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020411295 557520080 /nfs/dbraw/zinc/52/00/80/557520080.db2.gz RCTPTEMURJAUOQ-SFHVURJKSA-N 0 0 428.532 7.048 40 0 IKABRN CCCCOc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 ZINC000020411018 557520093 /nfs/dbraw/zinc/52/00/93/557520093.db2.gz HJPGRAOJJDMXSN-UHFFFAOYSA-N 0 0 435.505 5.573 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)cc1 ZINC000020411275 557520123 /nfs/dbraw/zinc/52/01/23/557520123.db2.gz OUNYGYBKKDUAQU-SAPNQHFASA-N 0 0 448.522 7.530 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1 ZINC000020411348 557520270 /nfs/dbraw/zinc/52/02/70/557520270.db2.gz FVADCOVFBUMITO-UHFFFAOYSA-N 0 0 433.508 5.884 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223848399 557520316 /nfs/dbraw/zinc/52/03/16/557520316.db2.gz ZCQHOQWYFOMVIK-IERDGZPVSA-N 0 0 435.395 5.258 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1C ZINC000020411339 557520321 /nfs/dbraw/zinc/52/03/21/557520321.db2.gz NLBVIFXZNYFXII-UHFFFAOYSA-N 0 0 443.572 6.362 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3o2)cc1 ZINC000020411351 557520324 /nfs/dbraw/zinc/52/03/24/557520324.db2.gz DCAXPERWIMNRJK-UHFFFAOYSA-N 0 0 449.963 6.398 40 0 IKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000020411760 557520470 /nfs/dbraw/zinc/52/04/70/557520470.db2.gz FAQHGXADGZFTGH-UHFFFAOYSA-N 0 0 446.528 5.693 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccco1 ZINC000223849084 557520548 /nfs/dbraw/zinc/52/05/48/557520548.db2.gz IGYPMHGMHNEBBS-BJKOFHAPSA-N 0 0 444.560 5.024 40 0 IKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(I)c1 ZINC000020412090 557520807 /nfs/dbraw/zinc/52/08/07/557520807.db2.gz WTJVLBIIMBUUHI-UHFFFAOYSA-N 0 0 449.288 5.033 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C ZINC000223854518 557521159 /nfs/dbraw/zinc/52/11/59/557521159.db2.gz FSBIFRKAKXXNNH-JOCHJYFZSA-N 0 0 449.422 5.568 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCC1 ZINC000223853927 557521183 /nfs/dbraw/zinc/52/11/83/557521183.db2.gz RYVVUFMWKCENFY-DNQXCXABSA-N 0 0 432.593 5.498 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223854698 557521412 /nfs/dbraw/zinc/52/14/12/557521412.db2.gz SZMHPDOFMRDYGC-QFIPXVFZSA-N 0 0 449.422 5.568 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223859475 557521630 /nfs/dbraw/zinc/52/16/30/557521630.db2.gz BHLHPGOAARXGIO-LJQANCHMSA-N 0 0 441.015 5.311 40 0 IKABRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)cc1 ZINC000002685415 557521833 /nfs/dbraw/zinc/52/18/33/557521833.db2.gz UYNDATLZZIFGKL-UHFFFAOYSA-N 0 0 444.560 5.372 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000223865112 557522365 /nfs/dbraw/zinc/52/23/65/557522365.db2.gz DHVLQODPKKHJSJ-INIZCTEOSA-N 0 0 433.379 5.012 40 0 IKABRN COC(=O)c1ccc(Cn2nc(-c3cccc(OC)c3)c(C)c2-c2cccc(OC)c2)cc1 ZINC000019636069 557522382 /nfs/dbraw/zinc/52/23/82/557522382.db2.gz GEMFTDMVXHNLGL-UHFFFAOYSA-N 0 0 442.515 5.378 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(CC)cc1 ZINC000223870208 557523280 /nfs/dbraw/zinc/52/32/80/557523280.db2.gz GAPZAYQDMONMJB-MRXNPFEDSA-N 0 0 435.395 5.042 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1C ZINC000223870797 557523487 /nfs/dbraw/zinc/52/34/87/557523487.db2.gz NVPWWUJEEYMBHY-DQEYMECFSA-N 0 0 440.572 5.372 40 0 IKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)cc1 ZINC000223871673 557523496 /nfs/dbraw/zinc/52/34/96/557523496.db2.gz WUMNYRGWEBEGFM-PKTZIBPZSA-N 0 0 445.569 5.709 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl ZINC000223871869 557523502 /nfs/dbraw/zinc/52/35/02/557523502.db2.gz DTAYLXGCGCCXSP-AWEZNQCLSA-N 0 0 441.786 5.133 40 0 IKABRN CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000003145188 557523505 /nfs/dbraw/zinc/52/35/05/557523505.db2.gz OQUJCDDYGCTQSY-KRWDZBQOSA-N 0 0 432.682 6.479 40 0 IKABRN c1ccc(N[C@H]([C@@H](Nc2ccccc2)n2nnc3ccccc32)n2nnc3ccccc32)cc1 ZINC000003144568 557523509 /nfs/dbraw/zinc/52/35/09/557523509.db2.gz SPFMPCBCDSGWKT-UIOOFZCWSA-N 0 0 446.518 5.098 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1C ZINC000223870663 557523531 /nfs/dbraw/zinc/52/35/31/557523531.db2.gz NVPWWUJEEYMBHY-JWQCQUIFSA-N 0 0 440.572 5.372 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1C ZINC000223870709 557523546 /nfs/dbraw/zinc/52/35/46/557523546.db2.gz NVPWWUJEEYMBHY-RPBOFIJWSA-N 0 0 440.572 5.372 40 0 IKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000223872522 557523757 /nfs/dbraw/zinc/52/37/57/557523757.db2.gz CEWYZRWJSNFESR-GOTSBHOMSA-N 0 0 447.947 5.878 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000223891267 557525748 /nfs/dbraw/zinc/52/57/48/557525748.db2.gz GWESBEIUYWOLMK-RPWUZVMVSA-N 0 0 431.609 5.241 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C(C)C ZINC000223892463 557525920 /nfs/dbraw/zinc/52/59/20/557525920.db2.gz WQBWKDLKFJONJH-RPWUZVMVSA-N 0 0 433.625 5.324 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223903136 557527012 /nfs/dbraw/zinc/52/70/12/557527012.db2.gz BJCGCNRZYHJYGK-IERDGZPVSA-N 0 0 435.395 5.258 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223904347 557527208 /nfs/dbraw/zinc/52/72/08/557527208.db2.gz BKIWSKYHHCYGAJ-RPBOFIJWSA-N 0 0 445.636 5.631 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000223904726 557527223 /nfs/dbraw/zinc/52/72/23/557527223.db2.gz RGEONJKIYUGPHT-JWQCQUIFSA-N 0 0 439.588 5.115 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223913447 557528087 /nfs/dbraw/zinc/52/80/87/557528087.db2.gz FOFQVLBEOBHQNC-QGZVFWFLSA-N 0 0 449.422 5.603 40 0 IKABRN Cc1cnc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)c(Br)c1 ZINC000223914042 557528113 /nfs/dbraw/zinc/52/81/13/557528113.db2.gz MRMRLRZISILBKY-UHFFFAOYSA-N 0 0 436.762 5.553 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223915823 557528330 /nfs/dbraw/zinc/52/83/30/557528330.db2.gz BINDJUFZMMWZCK-DQEYMECFSA-N 0 0 445.636 5.631 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223915968 557528388 /nfs/dbraw/zinc/52/83/88/557528388.db2.gz BINDJUFZMMWZCK-JWQCQUIFSA-N 0 0 445.636 5.631 40 0 IKABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(Oc2ccccc2)nc1 ZINC000223917325 557528491 /nfs/dbraw/zinc/52/84/91/557528491.db2.gz NFBJMTNDJNVHJD-UHFFFAOYSA-N 0 0 435.936 6.274 40 0 IKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000223916469 557528561 /nfs/dbraw/zinc/52/85/61/557528561.db2.gz YFGKQDQXIHBZDX-NDENLUEZSA-N 0 0 445.371 5.451 40 0 IKABRN Cc1ccc(Nc2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)cc1 ZINC000223917611 557528718 /nfs/dbraw/zinc/52/87/18/557528718.db2.gz MPEOERUMSKJQLG-UHFFFAOYSA-N 0 0 448.979 6.534 40 0 IKABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc12 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433.379 5.012 40 0 IKABRN Cc1cccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1C ZINC000223948667 557532669 /nfs/dbraw/zinc/53/26/69/557532669.db2.gz DSLYGEMOGADBOO-UHFFFAOYSA-N 0 0 435.395 5.017 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1 ZINC000223948988 557532948 /nfs/dbraw/zinc/53/29/48/557532948.db2.gz FRARICRDSZTASE-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)cc1C ZINC000223952703 557533607 /nfs/dbraw/zinc/53/36/07/557533607.db2.gz IVOQYDADEVOUJG-DEOSSOPVSA-N 0 0 436.577 5.294 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000223955889 557534061 /nfs/dbraw/zinc/53/40/61/557534061.db2.gz HLLIUUKNBPUINR-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223957561 557534264 /nfs/dbraw/zinc/53/42/64/557534264.db2.gz YRHILEVGECEQBX-UHFFFAOYSA-N 0 0 426.563 5.160 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](c3ccccc3C)C(C)C)c2)cc1 ZINC000223959601 557534488 /nfs/dbraw/zinc/53/44/88/557534488.db2.gz SQVBBLCCEXDMKF-XMMPIXPASA-N 0 0 436.577 5.231 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)c(C)c1 ZINC000223959027 557534520 /nfs/dbraw/zinc/53/45/20/557534520.db2.gz YXQHLNNZVXROLI-XMMPIXPASA-N 0 0 436.577 5.294 40 0 IKABRN CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000223961225 557535120 /nfs/dbraw/zinc/53/51/20/557535120.db2.gz UOFHMSGDBOPEOL-UHFFFAOYSA-N 0 0 426.513 5.221 40 0 IKABRN CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1 ZINC000223962531 557535132 /nfs/dbraw/zinc/53/51/32/557535132.db2.gz KWVSQMMDQUXWDD-QHCPKHFHSA-N 0 0 440.540 5.144 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000223965217 557535560 /nfs/dbraw/zinc/53/55/60/557535560.db2.gz CJBOZFDFTOHOAG-UHFFFAOYSA-N 0 0 439.295 5.186 40 0 IKABRN Cc1ccccc1[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C(C)C ZINC000223964407 557535604 /nfs/dbraw/zinc/53/56/04/557535604.db2.gz GKAAGEYXMPYJDZ-QHCPKHFHSA-N 0 0 440.540 5.062 40 0 IKABRN Cc1ccc([C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C(C)C)c(C)c1 ZINC000223971170 557536650 /nfs/dbraw/zinc/53/66/50/557536650.db2.gz KIXYKZPLEDQJGS-DEOSSOPVSA-N 0 0 436.577 5.231 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223973022 557536960 /nfs/dbraw/zinc/53/69/60/557536960.db2.gz OVIAZVHVYUMWLQ-UHFFFAOYSA-N 0 0 428.941 5.517 40 0 IKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2Cc3ccccc3C2)nc1 ZINC000223974464 557537168 /nfs/dbraw/zinc/53/71/68/557537168.db2.gz WFWJPIBDRHMYGM-UHFFFAOYSA-N 0 0 428.605 5.400 40 0 IKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2CCCc3ccccc32)nc1 ZINC000223974390 557537261 /nfs/dbraw/zinc/53/72/61/557537261.db2.gz IZDTVEUAQYAISV-UHFFFAOYSA-N 0 0 442.632 5.964 40 0 IKABRN COc1ccccc1Oc1ccc(NC(=S)NCC2(c3ccccc3)CCCC2)cn1 ZINC000223974884 557537280 /nfs/dbraw/zinc/53/72/80/557537280.db2.gz HIBKHDBLNCIWLB-UHFFFAOYSA-N 0 0 433.577 5.681 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223976432 557537471 /nfs/dbraw/zinc/53/74/71/557537471.db2.gz ICFWWKKWEPNHOL-UHFFFAOYSA-N 0 0 442.968 5.736 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 ZINC000223976274 557537520 /nfs/dbraw/zinc/53/75/20/557537520.db2.gz YMOGPZSUUJAPEZ-MRXNPFEDSA-N 0 0 427.932 5.248 40 0 IKABRN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975409 557537526 /nfs/dbraw/zinc/53/75/26/557537526.db2.gz WQMXFMYUPDZBAJ-UHFFFAOYSA-N 0 0 439.295 5.186 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223974909 557537587 /nfs/dbraw/zinc/53/75/87/557537587.db2.gz LFGOXVUCWRAPQN-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000223977938 557538051 /nfs/dbraw/zinc/53/80/51/557538051.db2.gz IGNBNWWLMDVUBN-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(N2CCCCC2)nc1 ZINC000223978349 557538061 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Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000224007795 557543184 /nfs/dbraw/zinc/54/31/84/557543184.db2.gz ITXGTLPGMNLXJI-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)cn1 ZINC000224008249 557543391 /nfs/dbraw/zinc/54/33/91/557543391.db2.gz COIYTTWYHKVOTB-LJQANCHMSA-N 0 0 440.632 5.788 40 0 IKABRN CCC(C)(C)C(=O)[C@H]1[C@](C)(c2ccccc2)CC(c2ccccc2)=C[C@]1(O)C(C)(C)CC ZINC000004729222 557543595 /nfs/dbraw/zinc/54/35/95/557543595.db2.gz JYXYBEIHSGHFQN-JPHFWNGBSA-N 0 0 432.648 7.220 40 0 IKABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224008946 557543651 /nfs/dbraw/zinc/54/36/51/557543651.db2.gz YGQLRUVGHFDFON-HHHXNRCGSA-N 0 0 442.603 5.012 40 0 IKABRN C[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224009430 557543655 /nfs/dbraw/zinc/54/36/55/557543655.db2.gz JCAAUIRMTRFDPV-CQSZACIVSA-N 0 0 442.924 5.033 40 0 IKABRN Fc1ccc(C2(CNC(=S)Nc3ccc(Oc4ccccc4)nc3)CCCCC2)cc1 ZINC000224009232 557543672 /nfs/dbraw/zinc/54/36/72/557543672.db2.gz SHQQYERCTCKWMC-UHFFFAOYSA-N 0 0 435.568 6.202 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2C)cc1 ZINC000224012475 557544140 /nfs/dbraw/zinc/54/41/40/557544140.db2.gz NACZDHVCTINPQC-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000224013896 557544434 /nfs/dbraw/zinc/54/44/34/557544434.db2.gz AAPKWUBSQYTKFS-MHZLTWQESA-N 0 0 442.603 5.012 40 0 IKABRN CCn1nc(C)c(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c1C ZINC000118916022 557544694 /nfs/dbraw/zinc/54/46/94/557544694.db2.gz DGHNSOORNPGMCA-YXQDKTGISA-N 0 0 426.645 5.278 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3C)c(Cl)c2)cc1 ZINC000224016697 557545113 /nfs/dbraw/zinc/54/51/13/557545113.db2.gz NYEHSHVRYLQLSW-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3C)c(Cl)c2)cc1 ZINC000224016761 557545124 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557546867 /nfs/dbraw/zinc/54/68/67/557546867.db2.gz CSDVNVMUZWZGKO-UHFFFAOYSA-N 0 0 448.588 5.064 40 0 IKABRN Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000224028225 557547411 /nfs/dbraw/zinc/54/74/11/557547411.db2.gz IAUVLAWGZJJBDR-UHFFFAOYSA-N 0 0 435.395 5.017 40 0 IKABRN Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1Cl ZINC000224030782 557547887 /nfs/dbraw/zinc/54/78/87/557547887.db2.gz RJPDQRFXMFYGNO-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224030710 557547925 /nfs/dbraw/zinc/54/79/25/557547925.db2.gz MNEJDHGNYXMJQY-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224031521 557548144 /nfs/dbraw/zinc/54/81/44/557548144.db2.gz RLBPFSFPJKEVNY-UHFFFAOYSA-N 0 0 428.941 5.264 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000224034555 557548816 /nfs/dbraw/zinc/54/88/16/557548816.db2.gz FCQXOLAQRQFNFM-DEOSSOPVSA-N 0 0 440.653 5.243 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1c1ccc2c(c1)OCO2 ZINC000224034173 557548849 /nfs/dbraw/zinc/54/88/49/557548849.db2.gz VPAYFEZBXIIUIL-RPWUZVMVSA-N 0 0 446.576 5.294 40 0 IKABRN CC(C)c1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224042762 557550479 /nfs/dbraw/zinc/55/04/79/557550479.db2.gz KROOSMIMBBNOJD-SFHVURJKSA-N 0 0 445.003 5.174 40 0 IKABRN CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1C ZINC000224047482 557551386 /nfs/dbraw/zinc/55/13/86/557551386.db2.gz FKRSPSBPWOKTPH-QHCPKHFHSA-N 0 0 436.577 5.294 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3OC(C)C)ccc2C)cc1 ZINC000224047213 557551405 /nfs/dbraw/zinc/55/14/05/557551405.db2.gz QUWIWFRIDSEARL-UHFFFAOYSA-N 0 0 438.549 5.144 40 0 IKABRN CCc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224049687 557551714 /nfs/dbraw/zinc/55/17/14/557551714.db2.gz XGAVSPSJKOOJMS-UHFFFAOYSA-N 0 0 428.941 5.264 40 0 IKABRN Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224049438 557551737 /nfs/dbraw/zinc/55/17/37/557551737.db2.gz VWZMABUZLYWUAF-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN CC(C)c1ccccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C ZINC000224050364 557551835 /nfs/dbraw/zinc/55/18/35/557551835.db2.gz CWMVTFJTRAYWNM-SFHVURJKSA-N 0 0 445.003 5.174 40 0 IKABRN Cc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C ZINC000224050444 557551880 /nfs/dbraw/zinc/55/18/80/557551880.db2.gz LPZBCSXPAHCLMK-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl ZINC000224051722 557552185 /nfs/dbraw/zinc/55/21/85/557552185.db2.gz FNFQVHJXGPJOQT-CQSZACIVSA-N 0 0 439.358 5.007 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224053060 557552194 /nfs/dbraw/zinc/55/21/94/557552194.db2.gz IJGURYRFDJPGTN-UHFFFAOYSA-N 0 0 442.968 5.572 40 0 IKABRN Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224052070 557552237 /nfs/dbraw/zinc/55/22/37/557552237.db2.gz JZXJEZDHKJOFCV-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1cc(C)cc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000224054329 557552368 /nfs/dbraw/zinc/55/23/68/557552368.db2.gz NSOJDLGZZLOBMU-UHFFFAOYSA-N 0 0 425.981 6.058 40 0 IKABRN CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000224054699 557552423 /nfs/dbraw/zinc/55/24/23/557552423.db2.gz LWPXYUQMGXROPF-NRFANRHFSA-N 0 0 442.968 5.330 40 0 IKABRN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224055051 557552702 /nfs/dbraw/zinc/55/27/02/557552702.db2.gz ODYZGZDJFYWYHR-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN Cc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224055106 557552720 /nfs/dbraw/zinc/55/27/20/557552720.db2.gz ODYZGZDJFYWYHR-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN O=C(NCCC1CCCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000224063022 557553621 /nfs/dbraw/zinc/55/36/21/557553621.db2.gz FXWRDCPMVGZSEE-UHFFFAOYSA-N 0 0 434.989 5.231 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@H](C)c3ccccc3C)c2)cc1 ZINC000224063948 557553901 /nfs/dbraw/zinc/55/39/01/557553901.db2.gz UDOHFYGJLDSMSO-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000224065975 557554468 /nfs/dbraw/zinc/55/44/68/557554468.db2.gz PTRKPGBJKHLWTA-MHZLTWQESA-N 0 0 442.603 5.012 40 0 IKABRN O=C(NC1CCCCCC1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224067334 557554684 /nfs/dbraw/zinc/55/46/84/557554684.db2.gz NAZBCGHZBVYPCT-UHFFFAOYSA-N 0 0 441.380 5.247 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000224069432 557554956 /nfs/dbraw/zinc/55/49/56/557554956.db2.gz CGKZOSOAPWIDGF-HSZRJFAPSA-N 0 0 429.004 5.039 40 0 IKABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000224069486 557554981 /nfs/dbraw/zinc/55/49/81/557554981.db2.gz XPPMOQUYZXKDKC-MHZLTWQESA-N 0 0 442.603 5.094 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000224074364 557555715 /nfs/dbraw/zinc/55/57/15/557555715.db2.gz QTJYMFKUQAEEOX-QFIPXVFZSA-N 0 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ZINC000224345013 557595180 /nfs/dbraw/zinc/59/51/80/557595180.db2.gz DXCMCNORTNKWMQ-LOSJGSFVSA-N 0 0 440.572 5.317 40 0 IKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000224344928 557595185 /nfs/dbraw/zinc/59/51/85/557595185.db2.gz DXCMCNORTNKWMQ-DQEYMECFSA-N 0 0 440.572 5.317 40 0 IKABRN COc1ccc(CCNC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 ZINC000224345978 557595478 /nfs/dbraw/zinc/59/54/78/557595478.db2.gz AFFJYEUIVMRPMC-UHFFFAOYSA-N 0 0 441.980 5.622 40 0 IKABRN Cc1cccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1 ZINC000224346064 557595502 /nfs/dbraw/zinc/59/55/02/557595502.db2.gz RAWMTRNFEAAFFC-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1CSc1ccc(Cl)cc1 ZINC000224347356 557595607 /nfs/dbraw/zinc/59/56/07/557595607.db2.gz OFTJEQVIHVZIGJ-UHFFFAOYSA-N 0 0 433.960 7.046 40 0 IKABRN CN(C(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccccc1 ZINC000224347590 557595610 /nfs/dbraw/zinc/59/56/10/557595610.db2.gz LXIHQSKLVWKTKW-UHFFFAOYSA-N 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ZINC000224350638 557596473 /nfs/dbraw/zinc/59/64/73/557596473.db2.gz BQIUVGWDDFACEH-XMMPIXPASA-N 0 0 441.015 5.447 40 0 IKABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000224351327 557596538 /nfs/dbraw/zinc/59/65/38/557596538.db2.gz VJPKKEAKSWRLCO-LJQANCHMSA-N 0 0 441.786 5.133 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000224351791 557596582 /nfs/dbraw/zinc/59/65/82/557596582.db2.gz VQXLPXZGIWNEHH-IBGZPJMESA-N 0 0 441.786 5.133 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000224351389 557596594 /nfs/dbraw/zinc/59/65/94/557596594.db2.gz VJPKKEAKSWRLCO-IBGZPJMESA-N 0 0 441.786 5.133 40 0 IKABRN COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 ZINC000224350897 557596613 /nfs/dbraw/zinc/59/66/13/557596613.db2.gz VEZKPRBYJOAAFJ-UHFFFAOYSA-N 0 0 441.936 5.680 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1CSc1ccc(Cl)cc1 ZINC000224351289 557596626 /nfs/dbraw/zinc/59/66/26/557596626.db2.gz OXRRTIPCPBICDI-UHFFFAOYSA-N 0 0 425.937 6.096 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000224354223 557597026 /nfs/dbraw/zinc/59/70/26/557597026.db2.gz AHDCOHWBSHMJJB-UAPYWLNTSA-N 0 0 444.531 5.086 40 0 IKABRN CCN(c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224355521 557597269 /nfs/dbraw/zinc/59/72/69/557597269.db2.gz YDANKJCPPOBESQ-UHFFFAOYSA-N 0 0 449.359 5.461 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)cc1 ZINC000224357008 557597462 /nfs/dbraw/zinc/59/74/62/557597462.db2.gz BSPPNZUIQYCDDN-UHFFFAOYSA-N 0 0 447.531 5.621 40 0 IKABRN CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224357706 557597467 /nfs/dbraw/zinc/59/74/67/557597467.db2.gz MUPNCPVHKNQOGV-UHFFFAOYSA-N 0 0 428.941 5.116 40 0 IKABRN COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COCc1ccccc1 ZINC000224357588 557597469 /nfs/dbraw/zinc/59/74/69/557597469.db2.gz PUNNULOMURWHEK-UHFFFAOYSA-N 0 0 437.539 5.931 40 0 IKABRN CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224357781 557597597 /nfs/dbraw/zinc/59/75/97/557597597.db2.gz CSOPDNVEHAASCO-UHFFFAOYSA-N 0 0 428.941 5.116 40 0 IKABRN CCN(c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224361806 557597789 /nfs/dbraw/zinc/59/77/89/557597789.db2.gz OEVQBYINRZNDQK-UHFFFAOYSA-N 0 0 449.359 5.461 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)cc1 ZINC000224363093 557598002 /nfs/dbraw/zinc/59/80/02/557598002.db2.gz FHZDHJOYPDWZAZ-GPUOULLFSA-N 0 0 446.620 5.363 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccccc1 ZINC000224361941 557598014 /nfs/dbraw/zinc/59/80/14/557598014.db2.gz IZVJZBHATKPDFM-UHFFFAOYSA-N 0 0 426.310 5.679 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 ZINC000224364250 557598142 /nfs/dbraw/zinc/59/81/42/557598142.db2.gz HDROWNXCFVZXEZ-UHFFFAOYSA-N 0 0 440.590 5.266 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C(C)C ZINC000224364610 557598338 /nfs/dbraw/zinc/59/83/38/557598338.db2.gz PEUVQORQFMMQSW-LOSJGSFVSA-N 0 0 432.637 6.381 40 0 IKABRN COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224365386 557598358 /nfs/dbraw/zinc/59/83/58/557598358.db2.gz QAGKRAHSXGCNKI-LOSJGSFVSA-N 0 0 448.636 5.447 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C(C)C ZINC000224364535 557598362 /nfs/dbraw/zinc/59/83/62/557598362.db2.gz PEUVQORQFMMQSW-JWQCQUIFSA-N 0 0 432.637 6.381 40 0 IKABRN COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224365434 557598365 /nfs/dbraw/zinc/59/83/65/557598365.db2.gz QAGKRAHSXGCNKI-DQEYMECFSA-N 0 0 448.636 5.447 40 0 IKABRN CC[C@H](NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)c1ccccc1C ZINC000224366622 557598637 /nfs/dbraw/zinc/59/86/37/557598637.db2.gz VVGZCNXPUKBORC-DEOSSOPVSA-N 0 0 436.577 5.091 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3)c2)cc1 ZINC000224367940 557598749 /nfs/dbraw/zinc/59/87/49/557598749.db2.gz QUJXYBGLLYVUHP-UHFFFAOYSA-N 0 0 447.531 5.874 40 0 IKABRN CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1COc1ccccc1 ZINC000224368463 557598757 /nfs/dbraw/zinc/59/87/57/557598757.db2.gz CSWVIXJROSGRTK-UHFFFAOYSA-N 0 0 444.575 5.244 40 0 IKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 ZINC000224368591 557598767 /nfs/dbraw/zinc/59/87/67/557598767.db2.gz VQFNOBUGFOKJOI-QHCPKHFHSA-N 0 0 442.600 5.174 40 0 IKABRN CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1ccccc1C ZINC000224370478 557598909 /nfs/dbraw/zinc/59/89/09/557598909.db2.gz CFKHYEOYFHNCSO-UHFFFAOYSA-N 0 0 444.358 6.210 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccccc1C ZINC000224372541 557598941 /nfs/dbraw/zinc/59/89/41/557598941.db2.gz NKVIXWRLYKYASN-UHFFFAOYSA-N 0 0 440.337 5.988 40 0 IKABRN CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccccc1C ZINC000224372615 557598956 /nfs/dbraw/zinc/59/89/56/557598956.db2.gz BGLPFFDTPDGYCO-UHFFFAOYSA-N 0 0 440.337 5.988 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1C ZINC000224373897 557599120 /nfs/dbraw/zinc/59/91/20/557599120.db2.gz DNVPBJSQAPCEDJ-UHFFFAOYSA-N 0 0 429.438 6.244 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1C ZINC000224374057 557599162 /nfs/dbraw/zinc/59/91/62/557599162.db2.gz WLVQEQRODAXQLU-UHFFFAOYSA-N 0 0 429.438 6.244 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1C ZINC000224374660 557599185 /nfs/dbraw/zinc/59/91/85/557599185.db2.gz ISONKBMCKGIUGJ-SFHVURJKSA-N 0 0 449.422 5.342 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000224379698 557599508 /nfs/dbraw/zinc/59/95/08/557599508.db2.gz ZZIOYFOKSMDXHD-IZZNHLLZSA-N 0 0 439.584 6.642 40 0 IKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(OCCSc2ccccc2)cc1 ZINC000224381049 557599520 /nfs/dbraw/zinc/59/95/20/557599520.db2.gz MVWMIQDTTFHZKI-UHFFFAOYSA-N 0 0 439.536 7.009 40 0 IKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000224384496 557599933 /nfs/dbraw/zinc/59/99/33/557599933.db2.gz DIXKDBAOOLDDNR-FTJBHMTQSA-N 0 0 444.648 6.689 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1cccc(C)c1 ZINC000224385071 557600085 /nfs/dbraw/zinc/60/00/85/557600085.db2.gz FEKPXVBPURCSAZ-UHFFFAOYSA-N 0 0 429.438 6.244 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1cccc(C)c1 ZINC000224386306 557600245 /nfs/dbraw/zinc/60/02/45/557600245.db2.gz BJLPUTNPWBLIBD-UHFFFAOYSA-N 0 0 425.912 5.887 40 0 IKABRN CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1COc1cccc(C)c1 ZINC000224387833 557600470 /nfs/dbraw/zinc/60/04/70/557600470.db2.gz SVBIXXFHKOPFKV-UHFFFAOYSA-N 0 0 448.538 5.074 40 0 IKABRN CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000224389897 557600521 /nfs/dbraw/zinc/60/05/21/557600521.db2.gz FNZYXDYWTQWXNG-KRWDZBQOSA-N 0 0 435.395 5.116 40 0 IKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 ZINC000224388907 557600534 /nfs/dbraw/zinc/60/05/34/557600534.db2.gz RZFUDYCFZDGJGM-DLBZAZTESA-N 0 0 434.359 5.222 40 0 IKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224388418 557600536 /nfs/dbraw/zinc/60/05/36/557600536.db2.gz OLKBDNMFJAGDOB-UHFFFAOYSA-N 0 0 438.574 5.020 40 0 IKABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccc(Cl)cc1 ZINC000224391217 557600641 /nfs/dbraw/zinc/60/06/41/557600641.db2.gz RVKXDLMGPTYRLN-UHFFFAOYSA-N 0 0 425.981 6.818 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1nccs1 ZINC000224391474 557600647 /nfs/dbraw/zinc/60/06/47/557600647.db2.gz FCMPCXRZKCACQT-LEWJYISDSA-N 0 0 449.580 5.262 40 0 IKABRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 ZINC000224393243 557601149 /nfs/dbraw/zinc/60/11/49/557601149.db2.gz HVTXMEJTENBAAU-DNQXCXABSA-N 0 0 444.535 5.197 40 0 IKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 ZINC000224392725 557601187 /nfs/dbraw/zinc/60/11/87/557601187.db2.gz RRTGFOXVRYCHLI-HNNXBMFYSA-N 0 0 429.944 6.271 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccnc1 ZINC000224392459 557601205 /nfs/dbraw/zinc/60/12/05/557601205.db2.gz MLWYNGVBAPOMPG-ZEQRLZLVSA-N 0 0 443.551 5.200 40 0 IKABRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 ZINC000224393933 557601357 /nfs/dbraw/zinc/60/13/57/557601357.db2.gz PCSYKDOUEFFORT-ZEQRLZLVSA-N 0 0 428.536 5.497 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 ZINC000224395103 557601361 /nfs/dbraw/zinc/60/13/61/557601361.db2.gz NHMVMGMECMCQJA-IBGZPJMESA-N 0 0 439.408 5.029 40 0 IKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000224407161 557602737 /nfs/dbraw/zinc/60/27/37/557602737.db2.gz TZYGEECZZOXEIC-JOCHJYFZSA-N 0 0 448.941 5.027 40 0 IKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000224407100 557602765 /nfs/dbraw/zinc/60/27/65/557602765.db2.gz TZYGEECZZOXEIC-QFIPXVFZSA-N 0 0 448.941 5.027 40 0 IKABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 ZINC000224408408 557602917 /nfs/dbraw/zinc/60/29/17/557602917.db2.gz VKLMGWAHHUSCQA-BJKOFHAPSA-N 0 0 444.535 5.197 40 0 IKABRN 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ZINC000224411688 557603564 /nfs/dbraw/zinc/60/35/64/557603564.db2.gz PYOZJWYJWFEZNA-DHIUTWEWSA-N 0 0 449.938 6.311 40 0 IKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000224411565 557603603 /nfs/dbraw/zinc/60/36/03/557603603.db2.gz PYOZJWYJWFEZNA-GOTSBHOMSA-N 0 0 449.938 6.311 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224415612 557603733 /nfs/dbraw/zinc/60/37/33/557603733.db2.gz OUIHEGYMOIPWNI-QGZVFWFLSA-N 0 0 435.395 5.034 40 0 IKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000224420367 557604081 /nfs/dbraw/zinc/60/40/81/557604081.db2.gz NTHDFYVWSPKIML-IRXDYDNUSA-N 0 0 434.359 5.222 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000224421028 557604371 /nfs/dbraw/zinc/60/43/71/557604371.db2.gz UYJQAMODZMRXHZ-BWAHOGKJSA-N 0 0 438.483 5.790 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1nccs1 ZINC000224423114 557604436 /nfs/dbraw/zinc/60/44/36/557604436.db2.gz 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Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 ZINC000225983881 557799113 /nfs/dbraw/zinc/79/91/13/557799113.db2.gz KLINSAAVTLFZBS-UHFFFAOYSA-N 0 0 437.657 5.210 40 0 IKABRN C[C@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCCC2)n1 ZINC000226010563 557800923 /nfs/dbraw/zinc/80/09/23/557800923.db2.gz HNBVMZQZUBKJSY-SFHVURJKSA-N 0 0 439.629 5.657 40 0 IKABRN C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCCCC3)n2)C1 ZINC000226010436 557800929 /nfs/dbraw/zinc/80/09/29/557800929.db2.gz JTPCVCUAFMOUFP-GOSISDBHSA-N 0 0 439.629 5.514 40 0 IKABRN S=C(Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1)NC1CCCCCC1 ZINC000226010829 557800980 /nfs/dbraw/zinc/80/09/80/557800980.db2.gz UYEOEDQRINSTKF-UHFFFAOYSA-N 0 0 434.565 6.070 40 0 IKABRN CCN(c1ccc2sc(C(=O)NCC(C)(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000226091371 557805240 /nfs/dbraw/zinc/80/52/40/557805240.db2.gz HFKYALIWJUGPJH-UHFFFAOYSA-N 0 0 444.622 5.201 40 0 IKABRN Cc1ccc(S[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000031852033 557805669 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/nfs/dbraw/zinc/81/96/30/557819630.db2.gz KQAXFOCFEWJKMY-UHFFFAOYSA-N 0 0 447.570 5.095 40 0 IKABRN Cc1cc(Br)ccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000059294271 557819870 /nfs/dbraw/zinc/81/98/70/557819870.db2.gz PSVLRQIYUFTGLD-FMIVXFBMSA-N 0 0 441.350 5.544 40 0 IKABRN C[C@@H]1CCc2c(sc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 ZINC000059294520 557820001 /nfs/dbraw/zinc/82/00/01/557820001.db2.gz GOBJUANTLCNJCM-CQSZACIVSA-N 0 0 428.598 5.065 40 0 IKABRN C[C@H]1CCc2c(sc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 ZINC000059294521 557820030 /nfs/dbraw/zinc/82/00/30/557820030.db2.gz GOBJUANTLCNJCM-AWEZNQCLSA-N 0 0 428.598 5.065 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000059294575 557820037 /nfs/dbraw/zinc/82/00/37/557820037.db2.gz MZEROFQSKIJKPU-NTCAYCPXSA-N 0 0 444.512 5.225 40 0 IKABRN Cc1sc2nc(SCCOc3ccccc3Cl)n(-c3ccccc3)c(=O)c2c1C ZINC000059109301 557820420 /nfs/dbraw/zinc/82/04/20/557820420.db2.gz XGVPRSVYNKQFMR-UHFFFAOYSA-N 0 0 442.993 5.889 40 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MBHBDQXASQUWLB-AREMUKBSSA-N 0 0 426.541 6.124 40 0 IKABRN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4nccs4)sc3c2)c1 ZINC000059417652 557822954 /nfs/dbraw/zinc/82/29/54/557822954.db2.gz XCVOUUYLRXNGHF-UHFFFAOYSA-N 0 0 440.575 5.044 40 0 IKABRN CN(C)S(=O)(=O)c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 ZINC000059417625 557823045 /nfs/dbraw/zinc/82/30/45/557823045.db2.gz AQQQTYBBHDFFMT-UHFFFAOYSA-N 0 0 433.407 5.146 40 0 IKABRN O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000059418205 557823373 /nfs/dbraw/zinc/82/33/73/557823373.db2.gz AQSYCGTYRVDRMB-FYJGNVAPSA-N 0 0 439.895 6.299 40 0 IKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000059418219 557823404 /nfs/dbraw/zinc/82/34/04/557823404.db2.gz BLIIJPADLDJPHN-CIAFOILYSA-N 0 0 439.895 6.299 40 0 IKABRN O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000059418220 557823434 /nfs/dbraw/zinc/82/34/34/557823434.db2.gz GHGIAKHCCVQOCE-CIAFOILYSA-N 0 0 439.895 6.299 40 0 IKABRN CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C(=S)N[C@@H]1c1ccccc1 ZINC000059596926 557824318 /nfs/dbraw/zinc/82/43/18/557824318.db2.gz UNQAABGYZZSZBL-LJQANCHMSA-N 0 0 435.376 5.262 40 0 IKABRN Cc1ccc(CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c(C)c1 ZINC000059474755 557824462 /nfs/dbraw/zinc/82/44/62/557824462.db2.gz KOYFLNKQQSMELB-UHFFFAOYSA-N 0 0 430.554 6.006 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000059477592 557824883 /nfs/dbraw/zinc/82/48/83/557824883.db2.gz ORRLEUVVIVIVGV-FYWRMAATSA-N 0 0 442.902 6.504 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000059477559 557824931 /nfs/dbraw/zinc/82/49/31/557824931.db2.gz ZABSZDXNIGKFSE-NTCAYCPXSA-N 0 0 440.886 7.060 40 0 IKABRN Cc1ccc(C(=O)Oc2cc(C)c(NC3=NS(=O)(=O)c4ccccc43)cc2C(C)C)cc1 ZINC000059488065 557825453 /nfs/dbraw/zinc/82/54/53/557825453.db2.gz JPRMKHYOSXFYKJ-UHFFFAOYSA-N 0 0 448.544 5.207 40 0 IKABRN c1[nH]c2ccccc2c1CSc1nnc(Cc2cccc3ccccc32)n1-c1ccccc1 ZINC000059489568 557825882 /nfs/dbraw/zinc/82/58/82/557825882.db2.gz MUKXUIHBYAVXHT-UHFFFAOYSA-N 0 0 446.579 6.785 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1cc(Br)cc2cccnc21 ZINC000059488851 557825891 /nfs/dbraw/zinc/82/58/91/557825891.db2.gz IXZJOECOCAAQME-JLHYYAGUSA-N 0 0 429.317 6.316 40 0 IKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000059500415 557826488 /nfs/dbraw/zinc/82/64/88/557826488.db2.gz GNTDGAJRAGDPMV-FGEXJBCWSA-N 0 0 448.349 5.954 40 0 IKABRN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)/C=C/c1ccccc1 ZINC000059501080 557826497 /nfs/dbraw/zinc/82/64/97/557826497.db2.gz PRIQGNSEDIVAJE-FMIVXFBMSA-N 0 0 425.600 6.510 40 0 IKABRN O=C1S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1c1ccccc1 ZINC000059502970 557826691 /nfs/dbraw/zinc/82/66/91/557826691.db2.gz DARMBGUBIRAXPL-LDADJPATSA-N 0 0 426.291 5.950 40 0 IKABRN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1 ZINC000059503057 557826711 /nfs/dbraw/zinc/82/67/11/557826711.db2.gz MLLAFWDZVZCDAY-JLPGSUDCSA-N 0 0 445.946 6.561 40 0 IKABRN O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000227620737 557828637 /nfs/dbraw/zinc/82/86/37/557828637.db2.gz FTGWMAWRYWOGKN-MPMSUWQASA-N 0 0 430.498 6.514 40 0 IKABRN COc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 ZINC000066138466 557832503 /nfs/dbraw/zinc/83/25/03/557832503.db2.gz BAYHYJJOEGRBQC-UHFFFAOYSA-N 0 0 426.432 5.802 40 0 IKABRN CCOc1cc(C)c(Cl)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000231425538 557835803 /nfs/dbraw/zinc/83/58/03/557835803.db2.gz OMPWRUQXNQNYLD-UHFFFAOYSA-N 0 0 446.739 5.670 40 0 IKABRN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000231423848 557835894 /nfs/dbraw/zinc/83/58/94/557835894.db2.gz HXBYNONHDWJCBI-UHFFFAOYSA-N 0 0 425.359 5.474 40 0 IKABRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000123292341 557837251 /nfs/dbraw/zinc/83/72/51/557837251.db2.gz DJODDBKOSONKJI-QVBYERBYSA-N 0 0 448.644 5.137 40 0 IKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000123292145 557837340 /nfs/dbraw/zinc/83/73/40/557837340.db2.gz DJODDBKOSONKJI-UCDHUZQTSA-N 0 0 448.644 5.137 40 0 IKABRN CC(=O)O[C@H]1CC[C@@H]2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@H]1O ZINC000123242564 557837343 /nfs/dbraw/zinc/83/73/43/557837343.db2.gz PJMRSXHCPMQGJA-JOLYSRJRSA-N 0 0 446.716 7.010 40 0 IKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000123321771 557837534 /nfs/dbraw/zinc/83/75/34/557837534.db2.gz FVYCOKNQUSFTBH-MHLDLFGUSA-N 0 0 448.644 5.137 40 0 IKABRN CC(=O)N[C@H]1C[C@H]2[C@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC[C@H]12 ZINC000253505697 560038278 /nfs/dbraw/zinc/03/82/78/560038278.db2.gz ZVBBVQAJSUFYKD-ZSYFKHJHSA-N 0 0 429.733 7.612 40 0 biogenic,in-vitro IKABRN Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)Nc4ccc(F)cc4)C=C3C)nc21 ZINC000077262164 560046714 /nfs/dbraw/zinc/04/67/14/560046714.db2.gz XJSGQWSKNUFDPM-JTAQYXEDSA-N 0 0 448.586 6.229 40 0 biogenic,in-vitro IKABRN C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@]2(C)Cc3sc(-c4ccsc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000015709023 560096318 /nfs/dbraw/zinc/09/63/18/560096318.db2.gz MYNOERHMMIGLCQ-SVZXJXMESA-N 0 0 444.666 5.183 40 0 biogenic,in-vitro IKABRN CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000004237204 560197748 /nfs/dbraw/zinc/19/77/48/560197748.db2.gz UYJLMXGBJZFBPC-FUHWJXTLSA-N 0 0 449.551 5.028 40 0 biogenic,in-vitro IKABRN O=C(C1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cc4ccccc4s3)c12 ZINC000004237406 560197782 /nfs/dbraw/zinc/19/77/82/560197782.db2.gz KFTWVHDSRPUIOH-FXAWDEMLSA-N 0 0 432.589 5.256 40 0 biogenic,in-vitro IKABRN O=C(C[C@@H](Sc1cccc2cccnc21)c1ccc(OC(F)F)cc1)c1ccco1 ZINC000001098202 562920472 /nfs/dbraw/zinc/92/04/72/562920472.db2.gz SOHASHHVCVTIFD-OAQYLSRUSA-N 0 0 425.456 6.536 40 0 IKABRN CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000001531236 562922392 /nfs/dbraw/zinc/92/23/92/562922392.db2.gz NJICGAVMYWKCMW-NAECFFRCSA-N 0 0 442.728 7.738 40 0 IKABRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000004028971 562940819 /nfs/dbraw/zinc/94/08/19/562940819.db2.gz DCGMIQMNIOQACA-WQVVCKPFSA-N 0 0 426.597 5.149 40 0 IKABRN CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)CC[C@H]1C ZINC000035801376 563089894 /nfs/dbraw/zinc/08/98/94/563089894.db2.gz YDGOHTBOOYAVOP-JHHJLNCCSA-N 0 0 439.596 6.328 40 0 biogenic,in-vitro IKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000223014840 568626682 /nfs/dbraw/zinc/62/66/82/568626682.db2.gz JMEVPIJYEPCREP-LJQANCHMSA-N 0 0 430.372 5.648 40 0 IKABRN COc1cccc(N[C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000026770793 568738791 /nfs/dbraw/zinc/73/87/91/568738791.db2.gz OUXACDDJWBDHJA-VWLOTQADSA-N 0 0 442.584 6.827 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2ccc(Cl)cc2)c1C ZINC000026770865 568738805 /nfs/dbraw/zinc/73/88/05/568738805.db2.gz PZEYHPDPENKTTN-XMMPIXPASA-N 0 0 447.003 7.472 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccc(C)cc2)c2ccccc2)c1C ZINC000026770773 568738848 /nfs/dbraw/zinc/73/88/48/568738848.db2.gz OMOLETYQAPJVGW-RUZDIDTESA-N 0 0 426.585 7.127 40 0 IKABRN COc1ccc([C@H](Nc2ccccc2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1 ZINC000026770844 568738860 /nfs/dbraw/zinc/73/88/60/568738860.db2.gz KOJDCQKKRXBCFJ-VWLOTQADSA-N 0 0 442.584 6.827 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccc(F)cc2)c2ccccc2)c1C ZINC000026770763 568738863 /nfs/dbraw/zinc/73/88/63/568738863.db2.gz UJIVNHNEMRRHNL-XMMPIXPASA-N 0 0 430.548 6.958 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(F)c2)c2ccccc2)c1C ZINC000026770786 568738879 /nfs/dbraw/zinc/73/88/79/568738879.db2.gz HMYQFBUIBKFPIN-DEOSSOPVSA-N 0 0 430.548 6.958 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccc(F)cc2)c2ccncc2)c1C ZINC000026770944 568739022 /nfs/dbraw/zinc/73/90/22/568739022.db2.gz AXHODNNKUXJJJH-HSZRJFAPSA-N 0 0 431.536 6.353 40 0 IKABRN COc1cccc(N[C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccn2)c1 ZINC000026770923 568739041 /nfs/dbraw/zinc/73/90/41/568739041.db2.gz SQUXJPZEBPASBP-DEOSSOPVSA-N 0 0 443.572 6.222 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(F)c2)c2ccccn2)c1C ZINC000026770921 568739056 /nfs/dbraw/zinc/73/90/56/568739056.db2.gz VITIGZVQMOMUFS-HSZRJFAPSA-N 0 0 431.536 6.353 40 0 IKABRN CCOC(=O)CNC(=O)c1cc(-c2cc(Cl)c(Cl)c(Cl)c2)nc2ccccc21 ZINC000026780160 568739061 /nfs/dbraw/zinc/73/90/61/568739061.db2.gz AJHINYRKBDWBMY-UHFFFAOYSA-N 0 0 437.710 5.155 40 0 IKABRN CCCCc1nc(Cl)c(Cl)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000044136163 568748473 /nfs/dbraw/zinc/74/84/73/568748473.db2.gz KUSIPNNIJUARFJ-UHFFFAOYSA-N 0 0 427.339 5.428 40 0 in-vitro IKABRN Cc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCCN2CCOCC2)cc1 ZINC000015304114 568755012 /nfs/dbraw/zinc/75/50/12/568755012.db2.gz MJUHDBSXHJAFGL-BZZOAKBMSA-N 0 0 428.001 5.133 40 0 IKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1sc2ccccc2c1Cl ZINC000072229901 568783183 /nfs/dbraw/zinc/78/31/83/568783183.db2.gz VHCJSLQPQZDTPN-FQEVSTJZSA-N 0 0 428.340 6.542 40 0 IKABRN O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072230051 568783215 /nfs/dbraw/zinc/78/32/15/568783215.db2.gz DENPFPUBTGMQAN-NRFANRHFSA-N 0 0 446.728 5.202 40 0 IKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000072229882 568783219 /nfs/dbraw/zinc/78/32/19/568783219.db2.gz IKWCYLWJPFAMEI-SANMLTNESA-N 0 0 427.931 6.192 40 0 IKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230077 568783240 /nfs/dbraw/zinc/78/32/40/568783240.db2.gz PNSFBUWPTJFYNB-OAQYLSRUSA-N 0 0 430.331 5.871 40 0 IKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000072229916 568783252 /nfs/dbraw/zinc/78/32/52/568783252.db2.gz HMTAWPGVQRRMKW-HSZRJFAPSA-N 0 0 438.310 6.587 40 0 IKABRN CC(=O)O[C@H]1C2=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000077293560 568785186 /nfs/dbraw/zinc/78/51/86/568785186.db2.gz CPAJTVKFJMIGFR-WAJRRKGPSA-N 0 0 444.700 6.930 40 0 in-vitro IKABRN Nc1c2c(nc(-c3cccs3)cc2C(F)(F)F)sc1S(=O)(=O)c1ccccc1 ZINC000001025730 568788069 /nfs/dbraw/zinc/78/80/69/568788069.db2.gz RWEBUXJRSURQDH-UHFFFAOYSA-N 0 0 440.493 5.459 40 0 IKABRN CCCOC(=O)c1cccc(NC(=O)/C=C/c2cc(Br)ccc2OCC)c1 ZINC000001782317 568788089 /nfs/dbraw/zinc/78/80/89/568788089.db2.gz ONFPYMJKALGIGC-DHZHZOJOSA-N 0 0 432.314 5.067 40 0 IKABRN O=C(N[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000001436688 568788256 /nfs/dbraw/zinc/78/82/56/568788256.db2.gz TXLDMFOYROGSCL-LJQANCHMSA-N 0 0 433.722 5.757 40 0 IKABRN CCc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 ZINC000001863148 568788402 /nfs/dbraw/zinc/78/84/02/568788402.db2.gz GFMVMEJVXMHRIQ-NDEPHWFRSA-N 0 0 443.543 5.752 40 0 IKABRN O=C(c1cc2ccccc2o1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000002740564 568788897 /nfs/dbraw/zinc/78/88/97/568788897.db2.gz GEFFDBJNLMUDCW-VWLOTQADSA-N 0 0 426.903 6.355 40 0 IKABRN Cc1ccc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCCCCCCCC3)cc1 ZINC000002766415 568789134 /nfs/dbraw/zinc/78/91/34/568789134.db2.gz XDZHIPSZELUVHN-UHFFFAOYSA-N 0 0 443.587 6.802 40 0 IKABRN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002889723 568789405 /nfs/dbraw/zinc/78/94/05/568789405.db2.gz GKGCEKFPLFYVAH-UHFFFAOYSA-N 0 0 434.344 6.378 40 0 IKABRN O=C(Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1)c1cccs1 ZINC000002931002 568789480 /nfs/dbraw/zinc/78/94/80/568789480.db2.gz XLLNRHPMQDFYCA-UHFFFAOYSA-N 0 0 426.295 5.480 40 0 IKABRN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2n1 ZINC000002805295 568789561 /nfs/dbraw/zinc/78/95/61/568789561.db2.gz NXIKSDSYBLDJFL-UHFFFAOYSA-N 0 0 440.425 5.403 40 0 IKABRN COC(=O)/C=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000062715656 568791645 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DBTCZMCCMOPHEC-AWNIVKPZSA-N 0 0 441.936 5.906 40 0 IKABRN O=C(NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000065010270 569088177 /nfs/dbraw/zinc/08/81/77/569088177.db2.gz HEUXSJXMZHZGCJ-UHFFFAOYSA-N 0 0 437.524 5.458 40 0 IKABRN CCc1cc([C@@H](c2cccc(Cl)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551886 569098039 /nfs/dbraw/zinc/09/80/39/569098039.db2.gz XZZYBFZNQQYUGG-HSZRJFAPSA-N 0 0 439.024 6.792 40 0 IKABRN CCc1cc([C@H](c2cccc(Cl)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551889 569098089 /nfs/dbraw/zinc/09/80/89/569098089.db2.gz XZZYBFZNQQYUGG-QHCPKHFHSA-N 0 0 439.024 6.792 40 0 IKABRN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000004428297 569155443 /nfs/dbraw/zinc/15/54/43/569155443.db2.gz YXHQCPFGXOFHLR-LPOKLPNDSA-N 0 0 442.558 7.122 40 0 IKABRN Cc1cc(O)c([C@@H](c2cccs2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=O)o1 ZINC000006418422 569158352 /nfs/dbraw/zinc/15/83/52/569158352.db2.gz ILDJNMVFIVMEQZ-HXUWFJFHSA-N 0 0 426.578 6.196 40 0 IKABRN Cc1cc(O)c([C@H](c2cccs2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=O)o1 ZINC000006418424 569158369 /nfs/dbraw/zinc/15/83/69/569158369.db2.gz ILDJNMVFIVMEQZ-FQEVSTJZSA-N 0 0 426.578 6.196 40 0 IKABRN O=C(Cn1nc(COc2ccccc2)n(Cc2ccccc2)c1=S)c1ccc(Cl)cc1 ZINC000016768915 569161475 /nfs/dbraw/zinc/16/14/75/569161475.db2.gz QWYCJKRRYZQCIJ-UHFFFAOYSA-N 0 0 449.963 5.578 40 0 IKABRN CCOc1ccc(C(=O)CN(c2ccc(Br)cc2)C2=NCCCCC2)cc1 ZINC000016768870 569161485 /nfs/dbraw/zinc/16/14/85/569161485.db2.gz JBNFVDURNTYNKZ-UHFFFAOYSA-N 0 0 429.358 5.510 40 0 IKABRN CCOc1ccccc1N(CC(=O)c1ccc(Oc2ccccc2)cc1)C1=NCCCS1 ZINC000016768888 569161487 /nfs/dbraw/zinc/16/14/87/569161487.db2.gz GGNWOTPYHXBFCG-UHFFFAOYSA-N 0 0 446.572 6.060 40 0 IKABRN Cc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)c2=S)cc1 ZINC000016769629 569161583 /nfs/dbraw/zinc/16/15/83/569161583.db2.gz XXPOTRFRNTUJOC-UHFFFAOYSA-N 0 0 448.979 5.979 40 0 IKABRN O=C(Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S)c1ccc(Cl)cc1 ZINC000016769538 569161618 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CN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 ZINC000226269276 569177965 /nfs/dbraw/zinc/17/79/65/569177965.db2.gz GHHQTKHFAKMZLO-UHFFFAOYSA-N 0 0 449.226 5.936 40 0 IKABRN CN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc4c(Br)cccc34)oc2c1 ZINC000226269817 569177968 /nfs/dbraw/zinc/17/79/68/569177968.db2.gz CSNLLTGBSRWCJD-UHFFFAOYSA-N 0 0 449.226 5.936 40 0 IKABRN O=C(Nc1ccc2nc(-c3cccc4c(Br)cccc34)oc2c1)C(F)(F)F ZINC000226269764 569178001 /nfs/dbraw/zinc/17/80/01/569178001.db2.gz CPSSFIYMNFHXST-UHFFFAOYSA-N 0 0 435.199 5.911 40 0 IKABRN CCN(C(=O)C(F)(F)F)c1cc2nc(-c3cccc4c(Cl)cccc34)oc2c(C)c1 ZINC000226282154 569178083 /nfs/dbraw/zinc/17/80/83/569178083.db2.gz LZJIKAPBPOMYRA-UHFFFAOYSA-N 0 0 432.829 6.525 40 0 IKABRN O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1cccc(Br)c1 ZINC000226287744 569178094 /nfs/dbraw/zinc/17/80/94/569178094.db2.gz HMFQCBXHCGVXKC-UHFFFAOYSA-N 0 0 441.712 5.515 40 0 IKABRN COc1c(Cl)cc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1Cl ZINC000226286763 569178115 /nfs/dbraw/zinc/17/81/15/569178115.db2.gz YQTCRGYURZIZQD-UHFFFAOYSA-N 0 0 425.271 5.971 40 0 IKABRN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1-c1cccc(Cl)c1 ZINC000006444316 569178415 /nfs/dbraw/zinc/17/84/15/569178415.db2.gz BDKDRJGJAOJHJV-UHFFFAOYSA-N 0 0 427.744 5.267 40 0 IKABRN O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1Cc1ccccc1 ZINC000214044256 569179649 /nfs/dbraw/zinc/17/96/49/569179649.db2.gz IOADPPXVGQEPRQ-HAVVHWLPSA-N 0 0 431.513 5.381 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3OCc3ccccc3F)C2=O)c1 ZINC000214588435 569180010 /nfs/dbraw/zinc/18/00/10/569180010.db2.gz IPQDMDDXCOQBTG-OEAKJJBVSA-N 0 0 433.504 5.950 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2)sc1NC(=O)c1ccccc1Cl ZINC000000872043 569180429 /nfs/dbraw/zinc/18/04/29/569180429.db2.gz CWRFTPXBFTVCGJ-UHFFFAOYSA-N 0 0 442.924 5.310 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1ccc(Cl)cc1 ZINC000000871549 569180435 /nfs/dbraw/zinc/18/04/35/569180435.db2.gz GHWSRVMONLVLEW-UHFFFAOYSA-N 0 0 446.887 5.140 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2)sc1NC(=O)c1ccc(Cl)cc1 ZINC000000872090 569180471 /nfs/dbraw/zinc/18/04/71/569180471.db2.gz LGKVXSVUVIWQEJ-UHFFFAOYSA-N 0 0 442.924 5.310 40 0 IKABRN CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2)c(C(=O)OCc2ccccc2)c1 ZINC000077272666 569181725 /nfs/dbraw/zinc/18/17/25/569181725.db2.gz DAZFYKGBHMONBD-UHFFFAOYSA-N 0 0 433.504 5.970 40 0 in-vitro IKABRN CCCCOc1ccc(C(=O)Nc2ccccc2I)cc1OCC ZINC000015418070 569225565 /nfs/dbraw/zinc/22/55/65/569225565.db2.gz HHYQYACVHQYMRL-UHFFFAOYSA-N 0 0 439.293 5.121 40 0 IKABRN CCOc1ccc(NC(=O)CSc2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000019852138 569182660 /nfs/dbraw/zinc/18/26/60/569182660.db2.gz KJEPPYNINPUUPO-UHFFFAOYSA-N 0 0 435.571 5.099 40 0 IKABRN CC[C@H](C)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 ZINC000226707868 569182933 /nfs/dbraw/zinc/18/29/33/569182933.db2.gz YKEWWKPTTWZMRI-AXHNFQJDSA-N 0 0 432.446 5.902 40 0 IKABRN O=C1[C@H]2[C@@H](C(=O)N1CCc1ccc(Cl)cc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000229834352 569184903 /nfs/dbraw/zinc/18/49/03/569184903.db2.gz FMOSHKWMZZHYAP-FATVKVNYSA-N 0 0 441.958 5.621 40 0 IKABRN O=C1[C@H]2[C@H](C(=O)N1c1cccc3ccccc31)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000001421616 569212385 /nfs/dbraw/zinc/21/23/85/569212385.db2.gz YAFPRMDPAABEAK-CDRKEARJSA-N 0 0 429.519 6.083 40 0 IKABRN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@H]1CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000002113903 569212483 /nfs/dbraw/zinc/21/24/83/569212483.db2.gz BZNIIOGSANMIET-XSZALXRASA-N 0 0 442.728 7.238 40 0 IKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCCCCC1 ZINC000003604137 569218467 /nfs/dbraw/zinc/21/84/67/569218467.db2.gz AZUNVFUXHYWTBB-UHFFFAOYSA-N 0 0 426.973 5.082 40 0 IKABRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O ZINC000007928854 569218843 /nfs/dbraw/zinc/21/88/43/569218843.db2.gz OUYPUGHXPWTLJL-IRLDBZIGSA-N 0 0 427.544 5.528 40 0 IKABRN CCc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O ZINC000007928779 569218928 /nfs/dbraw/zinc/21/89/28/569218928.db2.gz KHNRPIHLXRMZKI-OAQYLSRUSA-N 0 0 427.544 5.533 40 0 IKABRN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000008759057 569219000 /nfs/dbraw/zinc/21/90/00/569219000.db2.gz AUTYNXZVZCVWOP-UHFFFAOYSA-N 0 0 432.343 5.353 40 0 IKABRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@]21C ZINC000008660419 569219060 /nfs/dbraw/zinc/21/90/60/569219060.db2.gz VKHAHZOOUSRJNA-NVVJBRLPSA-N 0 0 429.604 5.407 40 0 IKABRN O=C(Cc1cccc2ccccc21)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000009062085 569219461 /nfs/dbraw/zinc/21/94/61/569219461.db2.gz PHLDBWOLHKRWHZ-UHFFFAOYSA-N 0 0 448.482 5.323 40 0 IKABRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1)c1cc2ccccc2o1 ZINC000009062196 569219486 /nfs/dbraw/zinc/21/94/86/569219486.db2.gz YLFIBRMYAFIYBT-UHFFFAOYSA-N 0 0 440.484 5.456 40 0 IKABRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009063673 569219894 /nfs/dbraw/zinc/21/98/94/569219894.db2.gz UVLCQCMDKKUKHN-UHFFFAOYSA-N 0 0 429.750 5.314 40 0 IKABRN Cc1ccc(CSCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009063668 569219965 /nfs/dbraw/zinc/21/99/65/569219965.db2.gz MEEKBLPGEOLHRF-UHFFFAOYSA-N 0 0 435.008 5.049 40 0 IKABRN COc1ccc(/C=C/C(=O)Nc2ccc(CSc3ccccc3)cc2)c(OC)c1OC ZINC000009973442 569220213 /nfs/dbraw/zinc/22/02/13/569220213.db2.gz DGZZONDIBTWWOH-FOWTUZBSSA-N 0 0 435.545 5.657 40 0 IKABRN Cc1cccc(CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000010110629 569221054 /nfs/dbraw/zinc/22/10/54/569221054.db2.gz ZEEIRPFGOAWWBD-MHZLTWQESA-N 0 0 444.600 5.132 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C)c2C)cc1Cl ZINC000010119197 569221356 /nfs/dbraw/zinc/22/13/56/569221356.db2.gz AQAOYDINCNJDOJ-UHFFFAOYSA-N 0 0 432.907 5.707 40 0 IKABRN CCOc1ccc(NC(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn32)cc1 ZINC000010119227 569221375 /nfs/dbraw/zinc/22/13/75/569221375.db2.gz IFMOBXMXTKSMOG-UHFFFAOYSA-N 0 0 448.906 5.488 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)c2ccccc2)cc1Cl ZINC000010119186 569221386 /nfs/dbraw/zinc/22/13/86/569221386.db2.gz JEMXZHICGPLNKA-MRXNPFEDSA-N 0 0 432.907 5.328 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCCC2)cc1Cl ZINC000010119267 569221474 /nfs/dbraw/zinc/22/14/74/569221474.db2.gz QBNNYKSRJWFGHM-UHFFFAOYSA-N 0 0 438.955 5.680 40 0 IKABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000010314585 569222504 /nfs/dbraw/zinc/22/25/04/569222504.db2.gz XKYXWQKIQPCYRS-UHFFFAOYSA-N 0 0 430.913 5.065 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(OC(C)C)c3)c2C)cc1 ZINC000010314519 569222538 /nfs/dbraw/zinc/22/25/38/569222538.db2.gz OMUMROUWQJUKPO-UHFFFAOYSA-N 0 0 438.549 5.144 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1 ZINC000010314526 569222559 /nfs/dbraw/zinc/22/25/59/569222559.db2.gz IBQQWHRHMRPWOA-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2C)cc1 ZINC000010314568 569222564 /nfs/dbraw/zinc/22/25/64/569222564.db2.gz HFNSKYIKGFWXMT-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2C)cc1 ZINC000010314753 569222570 /nfs/dbraw/zinc/22/25/70/569222570.db2.gz STANYOVWDGGTKC-UHFFFAOYSA-N 0 0 436.577 5.788 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000010315152 569222702 /nfs/dbraw/zinc/22/27/02/569222702.db2.gz QKSXHTUVXOPJNY-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2C)cc1 ZINC000010314872 569222708 /nfs/dbraw/zinc/22/27/08/569222708.db2.gz MKCQDLWEYMTFFC-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN O=C(Nc1ccccc1-c1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010315115 569222741 /nfs/dbraw/zinc/22/27/41/569222741.db2.gz LNZTZVLWTBSIFE-UHFFFAOYSA-N 0 0 428.513 5.407 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)cc1 ZINC000010315316 569222771 /nfs/dbraw/zinc/22/27/71/569222771.db2.gz CWIQBPFOGOVLIB-UHFFFAOYSA-N 0 0 448.466 5.375 40 0 IKABRN Cc1cc(C)c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010326286 569223032 /nfs/dbraw/zinc/22/30/32/569223032.db2.gz NDSRITNWEKMFGU-LJQANCHMSA-N 0 0 434.561 5.004 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010325377 569223050 /nfs/dbraw/zinc/22/30/50/569223050.db2.gz XXCBLVUNHGJAAG-OAHLLOKOSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3C[C@H]2C)cc1 ZINC000010326660 569223155 /nfs/dbraw/zinc/22/31/55/569223155.db2.gz JSUAFQDHKNPSCL-MRXNPFEDSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccccc4Cl)cc3C[C@@H]2C)cc1 ZINC000010326644 569223161 /nfs/dbraw/zinc/22/31/61/569223161.db2.gz QIHRISHUASNZRL-INIZCTEOSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2C)cc1 ZINC000010328617 569223177 /nfs/dbraw/zinc/22/31/77/569223177.db2.gz QRNTYJQHWNHZIQ-UHFFFAOYSA-N 0 0 448.466 5.375 40 0 IKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000010331736 569223289 /nfs/dbraw/zinc/22/32/89/569223289.db2.gz LFPNSVQPNJWEAZ-UHFFFAOYSA-N 0 0 428.576 5.528 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(Cl)cccc3Cl)c2C)cc1 ZINC000010336045 569223531 /nfs/dbraw/zinc/22/35/31/569223531.db2.gz MSELTKAULIZTGW-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000010358165 569223622 /nfs/dbraw/zinc/22/36/22/569223622.db2.gz DGDMOHFRZQJACS-UHFFFAOYSA-N 0 0 440.540 5.321 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010359113 569223727 /nfs/dbraw/zinc/22/37/27/569223727.db2.gz AKLCCKIVBVGCEH-UHFFFAOYSA-N 0 0 436.577 5.699 40 0 IKABRN Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000010362211 569223774 /nfs/dbraw/zinc/22/37/74/569223774.db2.gz QXLULYNVYBHQFP-LBPRGKRZSA-N 0 0 449.787 5.057 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2C)cc1 ZINC000010362038 569223785 /nfs/dbraw/zinc/22/37/85/569223785.db2.gz BXZLZVCUMMVWLF-UHFFFAOYSA-N 0 0 448.466 5.375 40 0 IKABRN COc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1Cl ZINC000010365408 569223893 /nfs/dbraw/zinc/22/38/93/569223893.db2.gz NOBDLTWOWLALIQ-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)cc1 ZINC000010368932 569223916 /nfs/dbraw/zinc/22/39/16/569223916.db2.gz DVHHPROBCQJDIT-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010365934 569223929 /nfs/dbraw/zinc/22/39/29/569223929.db2.gz QOIQABJUGHEZKT-UHFFFAOYSA-N 0 0 436.577 5.481 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 ZINC000010367261 569223932 /nfs/dbraw/zinc/22/39/32/569223932.db2.gz HBBLVAVOMOGENH-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1SCc1ccccc1 ZINC000010369789 569224098 /nfs/dbraw/zinc/22/40/98/569224098.db2.gz IFPXANOPLMXSLL-UHFFFAOYSA-N 0 0 445.971 7.677 40 0 IKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)c1cccc(Cl)c1 ZINC000010371195 569224112 /nfs/dbraw/zinc/22/41/12/569224112.db2.gz HTQUQWLTARFAIR-UHFFFAOYSA-N 0 0 449.359 5.212 40 0 IKABRN O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc2ccccc2c1 ZINC000012676916 569224982 /nfs/dbraw/zinc/22/49/82/569224982.db2.gz AFUWNWNBZDRBOS-UHFFFAOYSA-N 0 0 425.897 5.186 40 0 IKABRN O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000012676651 569225003 /nfs/dbraw/zinc/22/50/03/569225003.db2.gz VEUINIZUUWUARV-UHFFFAOYSA-N 0 0 444.727 5.340 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 ZINC000012350301 569225005 /nfs/dbraw/zinc/22/50/05/569225005.db2.gz KAVMVKKDZLPXHQ-UHFFFAOYSA-N 0 0 428.561 5.536 40 0 IKABRN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Br)cc1 ZINC000015222087 569225279 /nfs/dbraw/zinc/22/52/79/569225279.db2.gz JRMWOUGOUHKOHD-UHFFFAOYSA-N 0 0 425.366 6.179 40 0 IKABRN COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1cccc2ccccc21 ZINC000015222132 569225288 /nfs/dbraw/zinc/22/52/88/569225288.db2.gz NBJLNAVRPVTHIW-UHFFFAOYSA-N 0 0 442.540 6.009 40 0 IKABRN S=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCCC1 ZINC000015224644 569225379 /nfs/dbraw/zinc/22/53/79/569225379.db2.gz LQFQKGJOODSWQS-UHFFFAOYSA-N 0 0 436.631 6.270 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3ccc4[nH]c(C)nc4c3)c2)cc1 ZINC000019690552 569227429 /nfs/dbraw/zinc/22/74/29/569227429.db2.gz YJGCRSWLLLESHT-VWLOTQADSA-N 0 0 426.520 5.228 40 0 IKABRN COc1cccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cc(C(C)(C)C)nn3C)c2)c1 ZINC000019690642 569227507 /nfs/dbraw/zinc/22/75/07/569227507.db2.gz ZNWPXVBMKHZHSU-QFIPXVFZSA-N 0 0 432.568 5.074 40 0 IKABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)CCc2nc3cc(F)ccc3[nH]2)n1 ZINC000019690580 569227509 /nfs/dbraw/zinc/22/75/09/569227509.db2.gz POGJQUVGMVILFY-DEOSSOPVSA-N 0 0 428.511 5.369 40 0 IKABRN COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4nc5cc(F)ccc5[nH]4)CC3)c2)cc1 ZINC000019691080 569227554 /nfs/dbraw/zinc/22/75/54/569227554.db2.gz WOBBLKAKQBKSIQ-UHFFFAOYSA-N 0 0 444.510 5.101 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cc(C(C)(C)C)nn3C)c2)cc1 ZINC000019690708 569227578 /nfs/dbraw/zinc/22/75/78/569227578.db2.gz 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COc1ccc(OC)c(C(=O)N2CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC2)c1 ZINC000019691177 569227701 /nfs/dbraw/zinc/22/77/01/569227701.db2.gz UOLGSBZURUOFJN-UHFFFAOYSA-N 0 0 434.511 5.233 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CCc2nc3cc(F)ccc3[nH]2)n1 ZINC000019691277 569227710 /nfs/dbraw/zinc/22/77/10/569227710.db2.gz KJQIIIPUGNSCAW-DEOSSOPVSA-N 0 0 446.501 5.508 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)CCc2nc3cc(F)ccc3[nH]2)n1 ZINC000019691279 569227720 /nfs/dbraw/zinc/22/77/20/569227720.db2.gz KJQIIIPUGNSCAW-XMMPIXPASA-N 0 0 446.501 5.508 40 0 IKABRN Cc1nc2ccc(C(=O)N3CCO[C@@H](c4ccc(Cc5ccc(C)cc5)cn4)C3)cc2s1 ZINC000019692227 569227789 /nfs/dbraw/zinc/22/77/89/569227789.db2.gz KZZPTIRAOCHLNG-XMMPIXPASA-N 0 0 443.572 5.113 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cccc(OC)c3OC)c2)cc1 ZINC000019691383 569227815 /nfs/dbraw/zinc/22/78/15/569227815.db2.gz HQBDRCOHOVYBQE-QHCPKHFHSA-N 0 0 432.520 5.060 40 0 IKABRN O=C(c1nccc2ccccc21)N1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 ZINC000019692608 569228030 /nfs/dbraw/zinc/22/80/30/569228030.db2.gz CKMDSCVLBUNVKS-QHCPKHFHSA-N 0 0 429.907 5.164 40 0 IKABRN O=C(c1ccc2ncccc2c1)N1CCO[C@H](c2ccc(Cc3cccc(Cl)c3)cn2)C1 ZINC000019692898 569228255 /nfs/dbraw/zinc/22/82/55/569228255.db2.gz HEUZKHDYZWUHHF-VWLOTQADSA-N 0 0 443.934 5.088 40 0 IKABRN O=C(c1ccc2ncccc2c1)N1CCO[C@@H](c2ccc(Cc3cccc(Cl)c3)cn2)C1 ZINC000019692899 569228283 /nfs/dbraw/zinc/22/82/83/569228283.db2.gz HEUZKHDYZWUHHF-RUZDIDTESA-N 0 0 443.934 5.088 40 0 IKABRN CC(C)n1c(CN2CCO[C@H](c3nccnc3-c3cccc(Cl)c3)C2)nc2ccccc21 ZINC000019693405 569228835 /nfs/dbraw/zinc/22/88/35/569228835.db2.gz YSWYDUVBVZJHGV-QFIPXVFZSA-N 0 0 447.970 5.301 40 0 IKABRN CCN(C(=O)c1ccc(C)nc1)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 ZINC000019711966 569235057 /nfs/dbraw/zinc/23/50/57/569235057.db2.gz FJLKMAZTDUFJJA-LOSJGSFVSA-N 0 0 436.502 5.718 40 0 IKABRN CCN(C(=O)c1cnn(C)c1C)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 ZINC000019712006 569235183 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Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000028206936 569242761 /nfs/dbraw/zinc/24/27/61/569242761.db2.gz RJJBVYBJEVZZJX-INIZCTEOSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000028206933 569242770 /nfs/dbraw/zinc/24/27/70/569242770.db2.gz RJJBVYBJEVZZJX-MRXNPFEDSA-N 0 0 440.952 5.041 40 0 IKABRN CCCCNC(=O)c1cc2cc(N(CCC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000028209218 569242972 /nfs/dbraw/zinc/24/29/72/569242972.db2.gz JLDLQPHYYWHZNY-UHFFFAOYSA-N 0 0 444.622 5.345 40 0 IKABRN CCCN(c1ccc2sc(C(=O)N3CCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209334 569242974 /nfs/dbraw/zinc/24/29/74/569242974.db2.gz WVEJIGVPJRHICD-UHFFFAOYSA-N 0 0 442.606 5.051 40 0 IKABRN O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Cl)Nc1ccccc1Cl ZINC000033380315 569243741 /nfs/dbraw/zinc/24/37/41/569243741.db2.gz GUYIURDVIHHFFN-UHFFFAOYSA-N 0 0 435.738 6.276 40 0 IKABRN CCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 ZINC000033397882 569243900 /nfs/dbraw/zinc/24/39/00/569243900.db2.gz KDZTXRSPNDAKPM-UHFFFAOYSA-N 0 0 431.989 5.246 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000033416133 569243994 /nfs/dbraw/zinc/24/39/94/569243994.db2.gz CJJYNNXATKQIII-UHFFFAOYSA-N 0 0 430.892 5.235 40 0 IKABRN COc1ccc(-c2csc(NC(=O)c3cccc(OC(C)C)c3)n2)cc1Br ZINC000033475178 569244121 /nfs/dbraw/zinc/24/41/21/569244121.db2.gz QEVGFMNCDPNPCI-UHFFFAOYSA-N 0 0 447.354 5.621 40 0 IKABRN CCCCCC(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000033508034 569244221 /nfs/dbraw/zinc/24/42/21/569244221.db2.gz UPYPECPVEYWPLK-UHFFFAOYSA-N 0 0 428.941 5.507 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C(=O)NC1CCCCC1 ZINC000033562458 569244494 /nfs/dbraw/zinc/24/44/94/569244494.db2.gz YAOARPKUCWSYKM-UHFFFAOYSA-N 0 0 441.380 5.165 40 0 IKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC ZINC000033571543 569244700 /nfs/dbraw/zinc/24/47/00/569244700.db2.gz QESUMAJWFWMKCX-UHFFFAOYSA-N 0 0 426.738 5.851 40 0 IKABRN CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(C)cc1 ZINC000033572397 569244718 /nfs/dbraw/zinc/24/47/18/569244718.db2.gz MGGVKDCZBWQBOH-UHFFFAOYSA-N 0 0 429.438 6.244 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000033581039 569244734 /nfs/dbraw/zinc/24/47/34/569244734.db2.gz NCULKBITEPIIBY-JXFKEZNVSA-N 0 0 432.948 5.086 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1 ZINC000033588027 569244738 /nfs/dbraw/zinc/24/47/38/569244738.db2.gz XHMZGZJMCYGPCV-UHFFFAOYSA-N 0 0 437.608 7.130 40 0 IKABRN CCOc1cc(C(=O)Nc2cccc3ccccc32)cc(I)c1OC ZINC000033616737 569244989 /nfs/dbraw/zinc/24/49/89/569244989.db2.gz LAIYAPGHRARQBN-UHFFFAOYSA-N 0 0 447.272 5.104 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1Cl ZINC000033627072 569245064 /nfs/dbraw/zinc/24/50/64/569245064.db2.gz CDWLFIXAPZPWBY-UHFFFAOYSA-N 0 0 443.374 6.548 40 0 IKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000033647816 569245239 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O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000033671860 569245713 /nfs/dbraw/zinc/24/57/13/569245713.db2.gz BWYJRRHMOFPFLN-UHFFFAOYSA-N 0 0 444.701 6.673 40 0 IKABRN CCOc1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000033688467 569245728 /nfs/dbraw/zinc/24/57/28/569245728.db2.gz RETQUMRTECUQRB-UHFFFAOYSA-N 0 0 425.362 5.734 40 0 IKABRN S=C(c1ccccc1OCc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000033677416 569245754 /nfs/dbraw/zinc/24/57/54/569245754.db2.gz KANCRNMKIIQXFU-UHFFFAOYSA-N 0 0 437.008 5.412 40 0 IKABRN S=C(c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)N1CCCC1 ZINC000033692489 569245860 /nfs/dbraw/zinc/24/58/60/569245860.db2.gz GLMQPENKIJDTIB-UHFFFAOYSA-N 0 0 426.379 5.953 40 0 IKABRN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000033696577 569245874 /nfs/dbraw/zinc/24/58/74/569245874.db2.gz YBHLRVRZEISYTE-UHFFFAOYSA-N 0 0 435.738 6.759 40 0 IKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1=O ZINC000033704620 569245884 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Cc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000033746748 569246445 /nfs/dbraw/zinc/24/64/45/569246445.db2.gz WYHCRVZIEIFJQQ-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN Cc1c(Cl)cccc1NCc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 ZINC000033769594 569246690 /nfs/dbraw/zinc/24/66/90/569246690.db2.gz ILOQUDIRXVTVCW-UHFFFAOYSA-N 0 0 433.310 6.071 40 0 IKABRN Cc1c(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)ccc2ccccc21 ZINC000033776319 569246722 /nfs/dbraw/zinc/24/67/22/569246722.db2.gz LWIGUSLLDJLQAZ-UHFFFAOYSA-N 0 0 444.387 6.455 40 0 IKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000033777447 569246744 /nfs/dbraw/zinc/24/67/44/569246744.db2.gz XYVFHSQBUIFWKH-UHFFFAOYSA-N 0 0 433.129 5.806 40 0 IKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000033793276 569246974 /nfs/dbraw/zinc/24/69/74/569246974.db2.gz PHAAWOXTGYXLLM-UHFFFAOYSA-N 0 0 448.773 6.419 40 0 IKABRN Cc1ccc(C)c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000034690359 569247183 /nfs/dbraw/zinc/24/71/83/569247183.db2.gz VYRDEWKQWCRSAW-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000034695327 569247191 /nfs/dbraw/zinc/24/71/91/569247191.db2.gz LBUXWARNWCMOOP-UHFFFAOYSA-N 0 0 441.339 6.713 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Br)c1 ZINC000034697049 569247216 /nfs/dbraw/zinc/24/72/16/569247216.db2.gz KONPKAPRIZFCSL-UHFFFAOYSA-N 0 0 443.316 5.526 40 0 IKABRN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000034716025 569247306 /nfs/dbraw/zinc/24/73/06/569247306.db2.gz GHRXOAWMIHBXLY-UHFFFAOYSA-N 0 0 435.738 6.759 40 0 IKABRN C=CCOc1c(Cl)cc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OCC ZINC000034705870 569247348 /nfs/dbraw/zinc/24/73/48/569247348.db2.gz MOTHWMARSULHNV-GOSISDBHSA-N 0 0 434.945 5.071 40 0 IKABRN COc1cc(CNc2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000034703526 569247405 /nfs/dbraw/zinc/24/74/05/569247405.db2.gz MLOAHCCZKXYRMW-UHFFFAOYSA-N 0 0 441.325 5.087 40 0 IKABRN O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000034744575 569247443 /nfs/dbraw/zinc/24/74/43/569247443.db2.gz RPTFVODIFRLGMY-HXUWFJFHSA-N 0 0 435.483 5.780 40 0 IKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OCC)c2)cc1 ZINC000034721110 569247522 /nfs/dbraw/zinc/24/75/22/569247522.db2.gz FVPOHNDYWAVDQE-UHFFFAOYSA-N 0 0 448.563 5.730 40 0 IKABRN O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1cc(Cl)ccc1Cl ZINC000034862088 569247792 /nfs/dbraw/zinc/24/77/92/569247792.db2.gz UCVYKLPMDGGRIY-UHFFFAOYSA-N 0 0 428.728 5.351 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(I)c1OC ZINC000034860654 569247795 /nfs/dbraw/zinc/24/77/95/569247795.db2.gz CSKDLLUTORWMRV-UHFFFAOYSA-N 0 0 447.272 5.104 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2ccccc2Br)cc1OCc1ccccc1 ZINC000034878857 569247930 /nfs/dbraw/zinc/24/79/30/569247930.db2.gz VZKXMRCKSXRMBE-UHFFFAOYSA-N 0 0 446.728 5.942 40 0 IKABRN CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000034878605 569247952 /nfs/dbraw/zinc/24/79/52/569247952.db2.gz VOJZWPGITHSTAV-UHFFFAOYSA-N 0 0 447.560 5.322 40 0 IKABRN CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C ZINC000034879934 569248010 /nfs/dbraw/zinc/24/80/10/569248010.db2.gz NVPQSVDHEMHIMR-GOSISDBHSA-N 0 0 449.407 5.541 40 0 IKABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000034888222 569248014 /nfs/dbraw/zinc/24/80/14/569248014.db2.gz NTHNJWKKSFCPDN-UHFFFAOYSA-N 0 0 438.955 5.903 40 0 IKABRN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000034890225 569248019 /nfs/dbraw/zinc/24/80/19/569248019.db2.gz FZFWGBNVUSARNO-UHFFFAOYSA-N 0 0 445.744 6.215 40 0 IKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000034933487 569248076 /nfs/dbraw/zinc/24/80/76/569248076.db2.gz SKHKMHXQUHKUPY-UHFFFAOYSA-N 0 0 445.689 5.700 40 0 IKABRN CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2cc(Br)ccc2OC)c1 ZINC000034930074 569248099 /nfs/dbraw/zinc/24/80/99/569248099.db2.gz FITRIYPJIKMYLK-FMIVXFBMSA-N 0 0 431.330 5.238 40 0 IKABRN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000034896616 569248108 /nfs/dbraw/zinc/24/81/08/569248108.db2.gz MMNWBGOMPYBFBU-AWEZNQCLSA-N 0 0 449.407 5.697 40 0 IKABRN CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000034897062 569248149 /nfs/dbraw/zinc/24/81/49/569248149.db2.gz OFGBNOZNIBVLME-UHFFFAOYSA-N 0 0 434.536 5.340 40 0 IKABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 ZINC000035086504 569248215 /nfs/dbraw/zinc/24/82/15/569248215.db2.gz NEVJWSMUUPAYPL-UHFFFAOYSA-N 0 0 438.380 5.119 40 0 IKABRN CC(C)Oc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 ZINC000035086434 569248286 /nfs/dbraw/zinc/24/82/86/569248286.db2.gz KEHODYVMWMSGFE-UHFFFAOYSA-N 0 0 433.891 6.153 40 0 IKABRN Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2cccc(C)c2C)cc1 ZINC000035154777 569248382 /nfs/dbraw/zinc/24/83/82/569248382.db2.gz XFUAVDOWZJHOML-UHFFFAOYSA-N 0 0 434.388 6.314 40 0 IKABRN COc1ccccc1NC(=O)c1cc(Br)c(OC)c(OCc2ccccc2)c1 ZINC000035155613 569248405 /nfs/dbraw/zinc/24/84/05/569248405.db2.gz KZJPRFLDKZFBFM-UHFFFAOYSA-N 0 0 442.309 5.298 40 0 IKABRN COc1cc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c(OC)cc1Cl ZINC000035198804 569248483 /nfs/dbraw/zinc/24/84/83/569248483.db2.gz MVNGBAVBMAORFE-UHFFFAOYSA-N 0 0 444.940 5.361 40 0 IKABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)c(OCC)c2)C1=O ZINC000035353075 569248520 /nfs/dbraw/zinc/24/85/20/569248520.db2.gz QTGJPKKAKGOUKT-LFVJCYFKSA-N 0 0 447.556 6.264 40 0 IKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000035329609 569248565 /nfs/dbraw/zinc/24/85/65/569248565.db2.gz KNNCSZOQSFMSER-UHFFFAOYSA-N 0 0 431.319 5.632 40 0 IKABRN O=C1NC(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000039556845 569249131 /nfs/dbraw/zinc/24/91/31/569249131.db2.gz DQOSNLYPHJJISR-HYARGMPZSA-N 0 0 427.891 5.440 40 0 IKABRN Cc1c2c(c(C)c(O)c1C)[C@H](C)[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000101314628 569250288 /nfs/dbraw/zinc/25/02/88/569250288.db2.gz PMIMOLIQGNWOJE-SOCHWWIRSA-N 0 0 430.717 9.011 40 0 IKABRN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc(Br)c1O ZINC000104563135 569250305 /nfs/dbraw/zinc/25/03/05/569250305.db2.gz DJPJRHQGDBJCCU-UHFFFAOYSA-N 0 0 449.370 5.177 40 0 IKABRN Cc1c2c(c(C)c(O)c1C)[C@H](C)[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000101314631 569250316 /nfs/dbraw/zinc/25/03/16/569250316.db2.gz PMIMOLIQGNWOJE-FXYHOICYSA-N 0 0 430.717 9.011 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000107589414 569250569 /nfs/dbraw/zinc/25/05/69/569250569.db2.gz FISAFTSHXZRTCB-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN Clc1ccc(-c2c(-c3ccccc3)s/c(=N\c3ccccc3)n2-n2cnnc2)cc1 ZINC000107622979 569250750 /nfs/dbraw/zinc/25/07/50/569250750.db2.gz CDNHZMGPFRTUGD-VYIQYICTSA-N 0 0 429.936 5.672 40 0 IKABRN O=C1S/C(=C\c2cccc(OCc3cccc4ccccc43)c2)C(=O)N1c1ccccc1 ZINC000107673470 569250888 /nfs/dbraw/zinc/25/08/88/569250888.db2.gz FYVBKZHJRJACNV-UQQQWYQISA-N 0 0 437.520 6.660 40 0 IKABRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccccc3F)sc2c1 ZINC000107678999 569250889 /nfs/dbraw/zinc/25/08/89/569250889.db2.gz OJSFCSYGQUYJMP-HOTGVXAUSA-N 0 0 426.538 5.407 40 0 IKABRN CCCCc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000107744347 569251069 /nfs/dbraw/zinc/25/10/69/569251069.db2.gz WCHGRPPVBINDSD-UHFFFAOYSA-N 0 0 437.417 6.678 40 0 IKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1N1CCCCC1 ZINC000107778185 569251213 /nfs/dbraw/zinc/25/12/13/569251213.db2.gz IMIAVBHRFGJRLY-ZDUSSCGKSA-N 0 0 427.759 6.043 40 0 IKABRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000107796466 569251270 /nfs/dbraw/zinc/25/12/70/569251270.db2.gz ZKJAUHGYEWPUJQ-UHFFFAOYSA-N 0 0 449.765 7.149 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4cccc(Cl)c4)c3)o2)cc1C ZINC000107899520 569251607 /nfs/dbraw/zinc/25/16/07/569251607.db2.gz RLYOPHGWQDZAFO-UHFFFAOYSA-N 0 0 444.918 6.721 40 0 IKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000107888069 569251683 /nfs/dbraw/zinc/25/16/83/569251683.db2.gz SQUDDCPDJRMPCT-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN O=C(Nc1cccc(Cl)c1N1CCCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000108028559 569252078 /nfs/dbraw/zinc/25/20/78/569252078.db2.gz RLUHKXPJCIHEBE-UHFFFAOYSA-N 0 0 425.768 6.714 40 0 IKABRN CCn1c(SCc2ccccc2Cl)nnc1-c1cc2cc(Br)ccc2o1 ZINC000108057598 569252146 /nfs/dbraw/zinc/25/21/46/569252146.db2.gz PUFOZIMJWLQCCU-UHFFFAOYSA-N 0 0 448.773 6.419 40 0 IKABRN CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000108045714 569252171 /nfs/dbraw/zinc/25/21/71/569252171.db2.gz ZFGOPZRZCJIWRT-GOSISDBHSA-N 0 0 449.407 5.541 40 0 IKABRN CCOc1cc(C(=S)N2CCCCC2)c(Br)cc1OCc1ccc(C)cc1 ZINC000108041146 569252231 /nfs/dbraw/zinc/25/22/31/569252231.db2.gz JRCXPWJOIMLOEY-UHFFFAOYSA-N 0 0 448.426 5.897 40 0 IKABRN CCOc1cc(C(=S)N2CCCC2)c(Br)cc1OCc1ccc(C)cc1 ZINC000108041361 569252234 /nfs/dbraw/zinc/25/22/34/569252234.db2.gz WASNIBOTKNNTMP-UHFFFAOYSA-N 0 0 434.399 5.507 40 0 IKABRN CC1=C(C(N)=O)[C@H](c2ccccc2)N2C(c3ccc(C4CCCCC4)cc3)=CSC2=N1 ZINC000108101377 569252359 /nfs/dbraw/zinc/25/23/59/569252359.db2.gz JMDHOTIJRZDPDH-DEOSSOPVSA-N 0 0 429.589 5.952 40 0 IKABRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccccc2Cl)n1C ZINC000108108173 569252383 /nfs/dbraw/zinc/25/23/83/569252383.db2.gz NDAKJRHXNMEFNL-SFHVURJKSA-N 0 0 449.407 5.541 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(Cl)cc5)nc4c3)o2)cc1C ZINC000108236418 569252742 /nfs/dbraw/zinc/25/27/42/569252742.db2.gz SVMDFEJGWHSUTM-UHFFFAOYSA-N 0 0 442.902 7.277 40 0 IKABRN Clc1ccc(OCCCc2nnc(SCc3ccccc3Cl)o2)c(Cl)c1 ZINC000108248291 569252767 /nfs/dbraw/zinc/25/27/67/569252767.db2.gz VXSYQAAVGBPWBP-UHFFFAOYSA-N 0 0 429.756 6.334 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Cl)cc1 ZINC000108277349 569252889 /nfs/dbraw/zinc/25/28/89/569252889.db2.gz FRXCBINURCPIFF-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN CCOc1cc(C=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000108266510 569252947 /nfs/dbraw/zinc/25/29/47/569252947.db2.gz XJCOCKIJYWCWCM-UHFFFAOYSA-N 0 0 426.896 5.718 40 0 IKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000108269874 569252961 /nfs/dbraw/zinc/25/29/61/569252961.db2.gz AHVRUTVHNDAGMR-HXUWFJFHSA-N 0 0 443.016 5.679 40 0 IKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000108283604 569253077 /nfs/dbraw/zinc/25/30/77/569253077.db2.gz BBAJRZNOHPBRRE-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C ZINC000108922879 569253220 /nfs/dbraw/zinc/25/32/20/569253220.db2.gz DMIAICPPXCATES-UHFFFAOYSA-N 0 0 430.892 5.060 40 0 IKABRN O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CC[C@H](c2ccccc2)C1 ZINC000108932520 569253251 /nfs/dbraw/zinc/25/32/51/569253251.db2.gz VZEZPRXVQDNKFC-IBGZPJMESA-N 0 0 448.530 5.641 40 0 IKABRN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000108949928 569253256 /nfs/dbraw/zinc/25/32/56/569253256.db2.gz RRHFVFPQNDOKKL-CQSZACIVSA-N 0 0 449.407 5.697 40 0 IKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cccc(C)c2C)cc1 ZINC000108993424 569253419 /nfs/dbraw/zinc/25/34/19/569253419.db2.gz PVONLFYZUQZJDX-UHFFFAOYSA-N 0 0 434.388 6.314 40 0 IKABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000108992039 569253425 /nfs/dbraw/zinc/25/34/25/569253425.db2.gz BLQNJPBLLBUOTN-UHFFFAOYSA-N 0 0 448.931 5.549 40 0 IKABRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cn(Cc2cccc(F)c2)c2ccccc12 ZINC000111671401 569253699 /nfs/dbraw/zinc/25/36/99/569253699.db2.gz GFBFYTOEYFKCFT-IWIPYMOSSA-N 0 0 447.579 5.561 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000138404824 569253802 /nfs/dbraw/zinc/25/38/02/569253802.db2.gz VDYVYZQLQJECNU-XNTDXEJSSA-N 0 0 426.925 5.101 40 0 IKABRN COC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000118075407 569253814 /nfs/dbraw/zinc/25/38/14/569253814.db2.gz LYUKJPSMOGBDCO-MNOVXSKESA-N 0 0 447.698 5.311 40 0 IKABRN COc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000138631689 569254053 /nfs/dbraw/zinc/25/40/53/569254053.db2.gz MXOMEVNSJIOCPB-UHFFFAOYSA-N 0 0 446.890 5.359 40 0 IKABRN Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1C ZINC000138673412 569254056 /nfs/dbraw/zinc/25/40/56/569254056.db2.gz VISVZTLBXXSSKM-UHFFFAOYSA-N 0 0 429.903 6.212 40 0 IKABRN Cc1cccc2c(C(=O)N(C)C3CCCCC3)cc(-c3ccc(Br)cc3)nc12 ZINC000138671728 569254058 /nfs/dbraw/zinc/25/40/58/569254058.db2.gz MXXDLMBGNQTDQZ-UHFFFAOYSA-N 0 0 437.381 6.377 40 0 IKABRN O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)Nc1ccc(Cl)cc1 ZINC000138909888 569254356 /nfs/dbraw/zinc/25/43/56/569254356.db2.gz NQHORVAUTIBWJB-UHFFFAOYSA-N 0 0 434.854 5.490 40 0 IKABRN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)N[C@@H](C)c3ccccc3)c2C)cc1 ZINC000138997563 569254459 /nfs/dbraw/zinc/25/44/59/569254459.db2.gz IPTIVMLPUUNFPZ-FQEVSTJZSA-N 0 0 438.527 5.553 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3cccc(N)c3)cc2)cc1 ZINC000139019145 569254477 /nfs/dbraw/zinc/25/44/77/569254477.db2.gz YAELZRUDIFWXGI-UHFFFAOYSA-N 0 0 437.499 5.874 40 0 IKABRN CCc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000197715019 569255425 /nfs/dbraw/zinc/25/54/25/569255425.db2.gz SXXHGSPRTYGPGU-UHFFFAOYSA-N 0 0 436.577 5.008 40 0 IKABRN CCOC(=O)CN1C(=O)S/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)C1=O ZINC000205691916 569255529 /nfs/dbraw/zinc/25/55/29/569255529.db2.gz FDGDJWNELZRWSZ-HYARGMPZSA-N 0 0 447.512 5.018 40 0 IKABRN CCOC(=O)CN1C(=O)S/C(=C\c2cccc(OCc3cccc4ccccc43)c2)C1=O ZINC000205672696 569255539 /nfs/dbraw/zinc/25/55/39/569255539.db2.gz QHZUVIHFJFTZHW-HYARGMPZSA-N 0 0 447.512 5.018 40 0 IKABRN CCOC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2cccc3ccccc32)C1=O ZINC000205677362 569255554 /nfs/dbraw/zinc/25/55/54/569255554.db2.gz KTPIJZWGLPPKIM-HYARGMPZSA-N 0 0 447.512 5.018 40 0 IKABRN O=C(N1CCc2ccccc2[C@@H]1c1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000206582784 569255724 /nfs/dbraw/zinc/25/57/24/569255724.db2.gz CAQGZNDDACGLPT-KYJUHHDHSA-N 0 0 444.578 6.402 40 0 IKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000206292893 569255759 /nfs/dbraw/zinc/25/57/59/569255759.db2.gz VRGGTDCISWWHIJ-HYARGMPZSA-N 0 0 435.932 6.156 40 0 IKABRN Cc1ccc(COc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000210201133 569255804 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O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000214240830 569256043 /nfs/dbraw/zinc/25/60/43/569256043.db2.gz KGPKURGHVFACHY-LPYMAVHISA-N 0 0 437.467 5.780 40 0 IKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000214245448 569256065 /nfs/dbraw/zinc/25/60/65/569256065.db2.gz VLQLPEQONHVKPX-LPYMAVHISA-N 0 0 437.467 5.780 40 0 IKABRN O=C1S/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000214202005 569256067 /nfs/dbraw/zinc/25/60/67/569256067.db2.gz OQABOZPUAUCZRZ-XQNSMLJCSA-N 0 0 449.503 5.520 40 0 IKABRN Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1 ZINC000214345508 569256102 /nfs/dbraw/zinc/25/61/02/569256102.db2.gz RSUSBGKMXIZSTH-OEAKJJBVSA-N 0 0 433.504 5.950 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000214599135 569256112 /nfs/dbraw/zinc/25/61/12/569256112.db2.gz VKANRWAUZPLULG-OEAKJJBVSA-N 0 0 449.959 6.464 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4F)cc3)C2=O)c1 ZINC000214594564 569256166 /nfs/dbraw/zinc/25/61/66/569256166.db2.gz SLIKXMQQZANJGW-OEAKJJBVSA-N 0 0 433.504 5.950 40 0 IKABRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1 ZINC000214473570 569256184 /nfs/dbraw/zinc/25/61/84/569256184.db2.gz BYUDSJSBBLHVAH-RGVLZGJSSA-N 0 0 444.339 6.798 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1OC(C)C ZINC000214838817 569256228 /nfs/dbraw/zinc/25/62/28/569256228.db2.gz JYZBQDGILXLLRB-BUVRLJJBSA-N 0 0 447.556 6.262 40 0 IKABRN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O ZINC000215049422 569256234 /nfs/dbraw/zinc/25/62/34/569256234.db2.gz QDOCABXEPUHLSE-VCHYOVAHSA-N 0 0 427.323 5.475 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OC ZINC000214859360 569256249 /nfs/dbraw/zinc/25/62/49/569256249.db2.gz YSABXFFSKZPFOM-VCHYOVAHSA-N 0 0 438.332 5.637 40 0 IKABRN O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214882982 569256253 /nfs/dbraw/zinc/25/62/53/569256253.db2.gz OJBCQMPNNFAQCP-VGOFMYFVSA-N 0 0 433.143 6.537 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1O[C@@H](C)CC ZINC000214600221 569256277 /nfs/dbraw/zinc/25/62/77/569256277.db2.gz PMDUOIBTHZOEOY-NIZGNDASSA-N 0 0 425.550 5.808 40 0 IKABRN O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1cccc2ccccc21 ZINC000214858084 569256279 /nfs/dbraw/zinc/25/62/79/569256279.db2.gz VAWFRCHQNGNILW-YBFXNURJSA-N 0 0 442.309 5.978 40 0 IKABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000214802669 569256285 /nfs/dbraw/zinc/25/62/85/569256285.db2.gz DSLZQJIJWBQIIE-OTGIAGGSSA-N 0 0 436.360 6.407 40 0 IKABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc12 ZINC000214802354 569256287 /nfs/dbraw/zinc/25/62/87/569256287.db2.gz NLWLEHKQJYIVAT-RGVLZGJSSA-N 0 0 444.339 6.392 40 0 IKABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000214942346 569256291 /nfs/dbraw/zinc/25/62/91/569256291.db2.gz NEQGUEZNQOSFSP-ONDHQXCVSA-N 0 0 446.366 5.863 40 0 IKABRN O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214799949 569256293 /nfs/dbraw/zinc/25/62/93/569256293.db2.gz HQAGDLZPMSDMPX-VGOFMYFVSA-N 0 0 433.143 6.537 40 0 IKABRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1c(F)cccc1Cl ZINC000215114414 569256391 /nfs/dbraw/zinc/25/63/91/569256391.db2.gz AJKVAOZOVQYUCL-VXLYETTFSA-N 0 0 448.302 6.629 40 0 IKABRN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000215137442 569256393 /nfs/dbraw/zinc/25/63/93/569256393.db2.gz CMYYWKPIHDPZLS-CAOOACKPSA-N 0 0 426.296 5.768 40 0 IKABRN CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3O)c3ccccc3NC2=O)c1 ZINC000222461120 569256396 /nfs/dbraw/zinc/25/63/96/569256396.db2.gz OQKFAERNYSHXPX-UHFFFAOYSA-N 0 0 429.560 5.979 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)CSc3nc4cc(OC)ccc4[nH]3)ccc21 ZINC000032692410 569257574 /nfs/dbraw/zinc/25/75/74/569257574.db2.gz LSNIWEAPCKVVKQ-UHFFFAOYSA-N 0 0 430.533 5.430 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC1=C2OC(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000039738333 569257801 /nfs/dbraw/zinc/25/78/01/569257801.db2.gz SSHZMKOIMDTLHW-CNVABVEPSA-N 0 0 446.631 6.541 40 0 IKABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 ZINC000017823148 569265487 /nfs/dbraw/zinc/26/54/87/569265487.db2.gz SEPGHCCRPAHPBO-VJBWXMMDSA-N 0 0 432.907 5.008 40 0 IKABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000245377553 569269812 /nfs/dbraw/zinc/26/98/12/569269812.db2.gz MNDJWAKEJGFTBX-WIHVIGOGSA-N 0 0 427.931 5.891 40 0 IKABRN C[C@@H]1C(=O)CC[C@H]2[C@@]3(C)CC[C@]4(C)[C@H]5CC(C)(C)CC[C@@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000247653897 569270039 /nfs/dbraw/zinc/27/00/39/569270039.db2.gz OFMXGFHWLZPCFL-PTBFOHQESA-N 0 0 426.729 8.457 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000247513983 569270049 /nfs/dbraw/zinc/27/00/49/569270049.db2.gz UZSFPFZYEGTFLC-UHFFFAOYSA-N 0 0 442.540 5.007 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000247746224 569270057 /nfs/dbraw/zinc/27/00/57/569270057.db2.gz RBQCXCHIENBCPB-UHFFFAOYSA-N 0 0 443.721 6.147 40 0 IKABRN Cc1ccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N4)C2)cc1 ZINC000248153701 569270517 /nfs/dbraw/zinc/27/05/17/569270517.db2.gz CKRQYAJBMKDSML-YSIASYRMSA-N 0 0 448.533 5.084 40 0 IKABRN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CSC(=O)N2c2ccccc2)cc1 ZINC000248185222 569270643 /nfs/dbraw/zinc/27/06/43/569270643.db2.gz GYYCHPLVFWVGCJ-DHLKQENFSA-N 0 0 443.528 5.266 40 0 IKABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)CCc4ccccc4)C3)cc2N1 ZINC000248200363 569270694 /nfs/dbraw/zinc/27/06/94/569270694.db2.gz VGKIPOLCLWTSDN-YSIASYRMSA-N 0 0 448.533 5.166 40 0 IKABRN C[C@@H]1C[C@H](C[C@@H]2CC[C@H](NC(=O)c3ccco3)[C@@H](C)C2)CC[C@H]1NC(=O)c1ccco1 ZINC000248334807 569271084 /nfs/dbraw/zinc/27/10/84/569271084.db2.gz MBAJXSUVUDTNQG-RLLAOZKESA-N 0 0 426.557 5.032 40 0 IKABRN COc1ccc(CCn2c(C)c3c4cc(-c5ccco5)cn4nc(C)c3c2C)cc1OC ZINC000252492138 569271239 /nfs/dbraw/zinc/27/12/39/569271239.db2.gz MDXASKIFFDIFOG-UHFFFAOYSA-N 0 0 429.520 5.734 40 0 IKABRN Cc1cc(-c2ncc(-c3cccnc3)cc2/C=C/c2ccccc2)cnc1-c1cccnc1 ZINC000253387943 569272348 /nfs/dbraw/zinc/27/23/48/569272348.db2.gz WGGSYXQFYRWBEC-VAWYXSNFSA-N 0 0 426.523 6.746 40 0 IKABRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(OC(F)F)cc1)[C@H]2O ZINC000253499215 569272863 /nfs/dbraw/zinc/27/28/63/569272863.db2.gz KUZBETODCMAEND-LIBUQEFFSA-N 0 0 444.562 5.966 40 0 IKABRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5OC(C)(C)O[C@@]54C(C)=O)[C@H]3CC[C@H]2C1 ZINC000253501042 569272897 /nfs/dbraw/zinc/27/28/97/569272897.db2.gz UHBMRCJLSUUKRV-ZAWDHBRZSA-N 0 0 432.601 5.050 40 0 IKABRN CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2C(C)(C)C(=O)CC[C@@]12C ZINC000253609607 569273318 /nfs/dbraw/zinc/27/33/18/569273318.db2.gz NJICGAVMYWKCMW-BWPNZBDMSA-N 0 0 442.728 7.738 40 0 IKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC4(OCCO4)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253609375 569273345 /nfs/dbraw/zinc/27/33/45/569273345.db2.gz PECVQXJSAFWCOS-HEQKUYFOSA-N 0 0 446.716 6.822 40 0 IKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253609317 569273370 /nfs/dbraw/zinc/27/33/70/569273370.db2.gz NPYXBHZQVNRAOF-IOBIFIASSA-N 0 0 430.717 7.405 40 0 IKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@](O)(/C=C/c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000253617328 569273544 /nfs/dbraw/zinc/27/35/44/569273544.db2.gz JBTRSWYBSZRTOK-UDMFDNQFSA-N 0 0 436.636 6.405 40 0 IKABRN CC(=O)O[C@H](C)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@]4(C)C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253617578 569273569 /nfs/dbraw/zinc/27/35/69/569273569.db2.gz WPHICUIXBCASRI-QKAYYMFGSA-N 0 0 434.617 5.034 40 0 IKABRN CC(=O)O[C@H](C)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@]4(C)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000253617576 569273575 /nfs/dbraw/zinc/27/35/75/569273575.db2.gz WPHICUIXBCASRI-OEVFGIETSA-N 0 0 434.617 5.034 40 0 IKABRN 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5.242 40 0 IKABRN Cc1cc(C)cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c1 ZINC000328984107 569285255 /nfs/dbraw/zinc/28/52/55/569285255.db2.gz HLDDMEXNIWOMKP-UHFFFAOYSA-N 0 0 442.485 5.601 40 0 IKABRN CSc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)c1 ZINC000328994404 569285323 /nfs/dbraw/zinc/28/53/23/569285323.db2.gz JDAMFTMCXOUOGM-UHFFFAOYSA-N 0 0 434.487 5.172 40 0 IKABRN COc1cc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)c(OC)cc1Cl ZINC000329020864 569285376 /nfs/dbraw/zinc/28/53/76/569285376.db2.gz OEFXWAHQXDRVBF-UHFFFAOYSA-N 0 0 444.240 5.652 40 0 IKABRN Brc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C3CC3)n1)C2 ZINC000329033275 569285406 /nfs/dbraw/zinc/28/54/06/569285406.db2.gz QSRUPCLMAQKVDF-UHFFFAOYSA-N 0 0 427.390 5.424 40 0 IKABRN Cc1c(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cccc1C(F)(F)F ZINC000329020828 569285426 /nfs/dbraw/zinc/28/54/26/569285426.db2.gz ODHGUDXCFWXKHP-UHFFFAOYSA-N 0 0 427.474 5.198 40 0 IKABRN Cc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1 ZINC000329007614 569285459 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/nfs/dbraw/zinc/29/16/27/569291627.db2.gz LOTZJKVTVKAEPH-UHFFFAOYSA-N 0 0 434.546 5.805 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)cc1 ZINC000009425891 569296224 /nfs/dbraw/zinc/29/62/24/569296224.db2.gz PRSPEYOGYGQESV-WMRGTZNCSA-N 0 0 449.550 6.116 40 0 IKABRN Cc1ccc(-n2c3nnc(SCc4ccc(F)cc4)n3c3ccccc3c2=O)c(C)c1 ZINC000009716441 569297878 /nfs/dbraw/zinc/29/78/78/569297878.db2.gz KOHDEGYWVBKCSH-UHFFFAOYSA-N 0 0 430.508 5.082 40 0 IKABRN O=C(Nc1cccc(OCCc2ccccc2)c1)c1cccc(OCCc2ccccc2)c1 ZINC000010470860 569300349 /nfs/dbraw/zinc/30/03/49/569300349.db2.gz UDDNZEPQJKLQON-UHFFFAOYSA-N 0 0 437.539 6.182 40 0 IKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000070664512 569315187 /nfs/dbraw/zinc/31/51/87/569315187.db2.gz KEOLCBLQBIWDBI-QQTCTJOGSA-N 0 0 446.672 5.155 40 0 biogenic IKABRN CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070687370 569315418 /nfs/dbraw/zinc/31/54/18/569315418.db2.gz MJVCJGGOYKSADY-DDXPSLRLSA-N 0 0 430.673 5.640 40 0 biogenic IKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000070691553 569315419 /nfs/dbraw/zinc/31/54/19/569315419.db2.gz VGSSUFQMXBFFTM-BLRRZAIRSA-N 0 0 448.732 6.190 40 0 biogenic IKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000070691554 569315437 /nfs/dbraw/zinc/31/54/37/569315437.db2.gz VGSSUFQMXBFFTM-UCUPHCFPSA-N 0 0 448.732 6.190 40 0 biogenic IKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3ccc(NC(C)=O)cc3)c2)cc1 ZINC000019690704 569326409 /nfs/dbraw/zinc/32/64/09/569326409.db2.gz MSTMCTFMVIRMEQ-RUZDIDTESA-N 0 0 429.520 5.001 40 0 IKABRN Cc1nnc2n1C[C@H](c1cccc(C(=O)NCc3cccc(Oc4ccccc4)c3)c1)CC2 ZINC000019698227 569326934 /nfs/dbraw/zinc/32/69/34/569326934.db2.gz MWKKOBATRCKJNF-HSZRJFAPSA-N 0 0 438.531 5.039 40 0 IKABRN Cc1nc([C@H]2CCCCN2Cc2ccc(F)cc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019703733 569327347 /nfs/dbraw/zinc/32/73/47/569327347.db2.gz NFIUWGSJXKLXQO-XMMPIXPASA-N 0 0 444.554 5.131 40 0 IKABRN Cc1ccc(/C=C2/SC(=O)N([C@H](N3CCCCC3)C(Cl)(Cl)Cl)C2=O)cc1 ZINC000020266049 569358625 /nfs/dbraw/zinc/35/86/25/569358625.db2.gz BAKFGHKRERNNBA-UKYUDJEDSA-N 0 0 433.788 5.214 40 0 IKABRN Cc1ccc(Cn2c3c(-c4ccc(C)cc4)sc(=S)n3c3ccccc3c2=O)cc1 ZINC000020378570 569362354 /nfs/dbraw/zinc/36/23/54/569362354.db2.gz AGUXWDBAEFSTNQ-UHFFFAOYSA-N 0 0 428.582 6.377 40 0 IKABRN Cc1cccc(-c2sc(=S)n3c2n(Cc2ccc(F)cc2)c(=O)c2ccccc23)c1 ZINC000020378630 569362378 /nfs/dbraw/zinc/36/23/78/569362378.db2.gz KVCLANZEXXTBLF-UHFFFAOYSA-N 0 0 432.545 6.208 40 0 IKABRN Cc1cccc(Cn2c3c(-c4ccc(F)cc4)sc(=S)n3c3ccccc3c2=O)c1 ZINC000020378438 569362407 /nfs/dbraw/zinc/36/24/07/569362407.db2.gz XMIKPFLPMJVOON-UHFFFAOYSA-N 0 0 432.545 6.208 40 0 IKABRN O=c1c2ccccc2n2c(=S)sc(-c3ccccc3)c2n1Cc1cccc(Cl)c1 ZINC000020378538 569362418 /nfs/dbraw/zinc/36/24/18/569362418.db2.gz XXHHKCMVEMPWRJ-UHFFFAOYSA-N 0 0 434.973 6.414 40 0 IKABRN O=C(CSC1=NC2(CCCCC2)NC2=C1CCCC2)c1ccc(Br)cc1 ZINC000020458601 569366580 /nfs/dbraw/zinc/36/65/80/569366580.db2.gz GJUBCTMUPYMIMJ-UHFFFAOYSA-N 0 0 433.415 5.855 40 0 IKABRN COc1ccc2nc(NC(=O)/C=C/c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000028048226 569406587 /nfs/dbraw/zinc/40/65/87/569406587.db2.gz KJNCCXUCXLWIAU-UKTHLTGXSA-N 0 0 446.528 5.544 40 0 IKABRN Cc1ccn2c(c1)nc(-c1ccc(-c3ccccc3)cc1)c2C[NH+]1CCC(C(=O)[O-])CC1 ZINC000002528846 569407819 /nfs/dbraw/zinc/40/78/19/569407819.db2.gz JJHUIBTYKZPXFE-UHFFFAOYSA-N 0 0 425.532 5.273 40 0 IKABRN Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000028284388 569409537 /nfs/dbraw/zinc/40/95/37/569409537.db2.gz VQYGSRPEWVUJLD-UHFFFAOYSA-N 0 0 436.655 5.756 40 0 IKABRN CC(C)N(C(=O)CSc1noc(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC000028527237 569410595 /nfs/dbraw/zinc/41/05/95/569410595.db2.gz GALLXBOKLFESTL-UHFFFAOYSA-N 0 0 432.343 5.033 40 0 IKABRN C[C@H](O)c1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)cc1 ZINC000028580575 569413473 /nfs/dbraw/zinc/41/34/73/569413473.db2.gz RSRHYDYREIIZKG-AWEZNQCLSA-N 0 0 429.442 5.076 40 0 IKABRN C[C@@H](O)c1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)cc1 ZINC000028580573 569413500 /nfs/dbraw/zinc/41/35/00/569413500.db2.gz RSRHYDYREIIZKG-CQSZACIVSA-N 0 0 429.442 5.076 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccccc2)c1 ZINC000002684605 569416703 /nfs/dbraw/zinc/41/67/03/569416703.db2.gz WWBLLFLRQIKMQO-UHFFFAOYSA-N 0 0 434.952 5.627 40 0 IKABRN Cc1ccc(Cn2c3c(-c4cccc(Cl)c4)sc(=S)n3c3ccccc3c2=O)cc1 ZINC000002699189 569417262 /nfs/dbraw/zinc/41/72/62/569417262.db2.gz RVJVRJQLUKWRLQ-UHFFFAOYSA-N 0 0 449.000 6.722 40 0 IKABRN COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(C)c(C)c1 ZINC000002889735 569424276 /nfs/dbraw/zinc/42/42/76/569424276.db2.gz GBNYFRKVSHQSKW-UHFFFAOYSA-N 0 0 444.350 5.833 40 0 IKABRN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1c(C)ccc(C)c1C ZINC000002889799 569424326 /nfs/dbraw/zinc/42/43/26/569424326.db2.gz UDOHYHDRLZAOHB-UHFFFAOYSA-N 0 0 437.561 5.761 40 0 IKABRN Cc1nc2ccccn2c1-c1nnc2sc(CC(c3ccccc3)c3ccccc3)nn21 ZINC000227143368 569431554 /nfs/dbraw/zinc/43/15/54/569431554.db2.gz CWAZVJHKSDLSBR-UHFFFAOYSA-N 0 0 436.544 5.184 40 0 IKABRN Cc1nc2ccccn2c1-c1nnc2sc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn21 ZINC000227142807 569431556 /nfs/dbraw/zinc/43/15/56/569431556.db2.gz VHVRVJVAWGMUFO-UHFFFAOYSA-N 0 0 444.608 6.071 40 0 IKABRN Cc1nc2ccccn2c1-c1nnc2sc(-c3cccc(OCc4ccccc4)c3)nn21 ZINC000227143139 569431603 /nfs/dbraw/zinc/43/16/03/569431603.db2.gz CACWJWRRUNLVPF-UHFFFAOYSA-N 0 0 438.516 5.055 40 0 IKABRN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCCSc1ccc(C)cc1 ZINC000002985312 569434379 /nfs/dbraw/zinc/43/43/79/569434379.db2.gz ZUUJXDXGLIEAIY-CJLVFECKSA-N 0 0 445.540 5.519 40 0 IKABRN O=C(NCCOc1ccccc1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000003039862 569438016 /nfs/dbraw/zinc/43/80/16/569438016.db2.gz RGARJVUKVBXTAK-UHFFFAOYSA-N 0 0 425.326 5.240 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000003038164 569437980 /nfs/dbraw/zinc/43/79/80/569437980.db2.gz NNVKQIFLNSWZDQ-UHFFFAOYSA-N 0 0 434.780 5.460 40 0 IKABRN O=C1C2(CCC13COC(CCC1CCCCC1)OC3)COC(CCC1CCCCC1)OC2 ZINC000003074185 569439877 /nfs/dbraw/zinc/43/98/77/569439877.db2.gz JVJSDHFHHCPXCG-UHFFFAOYSA-N 0 0 448.644 5.789 40 0 IKABRN Cc1ccc(C(=O)N[C@H](Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003109648 569440341 /nfs/dbraw/zinc/44/03/41/569440341.db2.gz SFWCQZXGVHPSJQ-HNNXBMFYSA-N 0 0 436.564 5.296 40 0 IKABRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cc3ccccc3)cc1)C1c3ccccc3C2c2ccccc21 ZINC000003144579 569440853 /nfs/dbraw/zinc/44/08/53/569440853.db2.gz JBOCLJAKOZVOHS-HCXPYDJZSA-N 0 0 441.530 5.674 40 0 IKABRN O=C(N[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1F ZINC000003146996 569440896 /nfs/dbraw/zinc/44/08/96/569440896.db2.gz FCJGZSWHPVMAOC-AREMUKBSSA-N 0 0 438.502 5.203 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 ZINC000003146026 569440943 /nfs/dbraw/zinc/44/09/43/569440943.db2.gz JATZHDJBTSFOSW-UHFFFAOYSA-N 0 0 445.559 5.987 40 0 IKABRN Cc1ccccc1N[C@H](c1nnnn1C1CCCCC1)c1ccc(Br)cc1 ZINC000003176243 569441289 /nfs/dbraw/zinc/44/12/89/569441289.db2.gz LJUCQAQHRMPDQY-FQEVSTJZSA-N 0 0 426.362 5.451 40 0 IKABRN COc1ccc(N[C@H](c2ccc(Br)cc2)[P@@]2(=O)OCC[C@H](C)O2)cc1 ZINC000003466268 569451982 /nfs/dbraw/zinc/45/19/82/569451982.db2.gz OWKYCHXIPTVBLP-QXNLKSCPSA-N 0 0 426.247 5.587 40 0 IKABRN CC(C)c1ccccc1N[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000059121226 569459235 /nfs/dbraw/zinc/45/92/35/569459235.db2.gz XXZBHNZCQPDXEY-HSZRJFAPSA-N 0 0 428.985 5.595 40 0 IKABRN C[C@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@]1(C)C[C@H](Cc1ccncc1)[C@@H]2O ZINC000242722991 569462112 /nfs/dbraw/zinc/46/21/12/569462112.db2.gz YAVJNCRQEPHRIC-JBEUYMCYSA-N 0 0 439.684 6.175 40 0 IKABRN COc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccccc4)sc3n2)c1 ZINC000008742317 569472907 /nfs/dbraw/zinc/47/29/07/569472907.db2.gz HESUOUYZEJFAAR-UHFFFAOYSA-N 0 0 428.435 5.804 40 0 IKABRN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)c(Cl)c1 ZINC000041076839 569526564 /nfs/dbraw/zinc/52/65/64/569526564.db2.gz CASJEIINICZFAY-UHFFFAOYSA-N 0 0 435.980 6.086 40 0 IKABRN CC(C)(C)Nc1nc(Nc2ccccc2I)cc(-c2ccccc2)n1 ZINC000329047740 569582975 /nfs/dbraw/zinc/58/29/75/569582975.db2.gz UHCFNAGKYSGEAF-UHFFFAOYSA-N 0 0 444.320 5.702 40 0 IKABRN CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329065509 569582977 /nfs/dbraw/zinc/58/29/77/569582977.db2.gz XSNUZOROJZBALV-UHFFFAOYSA-N 0 0 436.865 6.650 40 0 IKABRN Fc1cc(F)c(F)c(NN=c2cc(-c3ccccc3)nc(NC3CCCCC3)[nH]2)c1F ZINC000328965325 569582985 /nfs/dbraw/zinc/58/29/85/569582985.db2.gz CDDAFAUXFIITMI-UHFFFAOYSA-N 0 0 431.437 5.884 40 0 IKABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000032127207 569582994 /nfs/dbraw/zinc/58/29/94/569582994.db2.gz SKEWOAHIXZSTGW-UHFFFAOYSA-N 0 0 438.405 6.027 40 0 IKABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(NCc3ccc(Br)cc3)n2)c1 ZINC000328982881 569582995 /nfs/dbraw/zinc/58/29/95/569582995.db2.gz HDICKQNUNAALMY-UHFFFAOYSA-N 0 0 442.666 6.190 40 0 IKABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(NCc3cccc(Br)c3)n2)c1 ZINC000329010903 569583001 /nfs/dbraw/zinc/58/30/01/569583001.db2.gz MDFNFKLJMRETOA-UHFFFAOYSA-N 0 0 442.666 6.190 40 0 IKABRN CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000328984849 569583017 /nfs/dbraw/zinc/58/30/17/569583017.db2.gz HPFXGVWZDPHYEC-UHFFFAOYSA-N 0 0 428.764 6.001 40 0 IKABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2cccnc2)nc(NC(C)(C)C)n1 ZINC000329062920 569583131 /nfs/dbraw/zinc/58/31/31/569583131.db2.gz XARIEFJKRDOTEA-UHFFFAOYSA-N 0 0 426.362 5.872 40 0 IKABRN Cc1c(F)cccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)(C)C)n1 ZINC000329036613 569583185 /nfs/dbraw/zinc/58/31/85/569583185.db2.gz RKIGZTDPMZWICT-UHFFFAOYSA-N 0 0 434.437 6.444 40 0 IKABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000032126484 569583206 /nfs/dbraw/zinc/58/32/06/569583206.db2.gz ZTXIRQDPECRHIE-UHFFFAOYSA-N 0 0 440.377 5.517 40 0 IKABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)c1 ZINC000032127717 569583222 /nfs/dbraw/zinc/58/32/22/569583222.db2.gz MBRGZCFMJMJONN-UHFFFAOYSA-N 0 0 440.377 5.517 40 0 IKABRN CC(C)[C@@H](CO)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328979554 569583305 /nfs/dbraw/zinc/58/33/05/569583305.db2.gz GGAPCARBTPGNDO-LJQANCHMSA-N 0 0 448.514 5.928 40 0 IKABRN CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(Nc2ccccc2)n1 ZINC000328983260 569583422 /nfs/dbraw/zinc/58/34/22/569583422.db2.gz HFOSKDVZBYQBJF-UHFFFAOYSA-N 0 0 428.458 5.805 40 0 IKABRN O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cccc(OCc2ccccc2)c1 ZINC000001840492 569583521 /nfs/dbraw/zinc/58/35/21/569583521.db2.gz HXDMYLGTGRXHAR-UHFFFAOYSA-N 0 0 437.521 5.141 40 0 IKABRN O=C(NC(=S)Nc1nc2ccccc2s1)c1sc2cc(Cl)ccc2c1Cl ZINC000033371658 569583581 /nfs/dbraw/zinc/58/35/81/569583581.db2.gz LEVRNVJXJCBEKU-UHFFFAOYSA-N 0 0 438.386 5.945 40 0 IKABRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1cccc2ccccc21 ZINC000032127565 569583594 /nfs/dbraw/zinc/58/35/94/569583594.db2.gz YHEHELVHFDSCFS-UHFFFAOYSA-N 0 0 432.357 5.883 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccc(C)cc3C)sc2c1 ZINC000032119245 569583647 /nfs/dbraw/zinc/58/36/47/569583647.db2.gz PRMCENXTVRBNMV-UHFFFAOYSA-N 0 0 427.595 5.148 40 0 IKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(OC)cc3s2)cc1 ZINC000032127684 569583653 /nfs/dbraw/zinc/58/36/53/569583653.db2.gz NSLWNTJLANZHHP-UHFFFAOYSA-N 0 0 449.985 5.264 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)sc2c1 ZINC000032118978 569583706 /nfs/dbraw/zinc/58/37/06/569583706.db2.gz LVTCIYDESSVSGZ-UHFFFAOYSA-N 0 0 438.405 6.073 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(Br)cc3)sc2c1 ZINC000032118776 569583717 /nfs/dbraw/zinc/58/37/17/569583717.db2.gz KDGJTCKGCZQIIE-UHFFFAOYSA-N 0 0 448.411 5.528 40 0 IKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329017463 569584056 /nfs/dbraw/zinc/58/40/56/569584056.db2.gz NMIVPICHWFDYIH-UHFFFAOYSA-N 0 0 429.446 5.844 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)nc2c(C)c1 ZINC000057316077 569584076 /nfs/dbraw/zinc/58/40/76/569584076.db2.gz FSWQPMCEQZULIM-PKNBQFBNSA-N 0 0 433.558 5.700 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)c(C)c1 ZINC000019644402 569584089 /nfs/dbraw/zinc/58/40/89/569584089.db2.gz RZXBEVLBBWVUOY-UHFFFAOYSA-N 0 0 446.395 5.316 40 0 IKABRN Cc1ccc(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000328984939 569584275 /nfs/dbraw/zinc/58/42/75/569584275.db2.gz HQYCPFPPIMDXKZ-HXUWFJFHSA-N 0 0 430.474 5.643 40 0 IKABRN Cc1ccc2nc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)sc2c1 ZINC000027827035 569584380 /nfs/dbraw/zinc/58/43/80/569584380.db2.gz ZVJPCVDEQZXQFS-UHFFFAOYSA-N 0 0 440.775 5.147 40 0 IKABRN COc1cc2sc(NC(=S)NC(=O)c3ccc(C)cc3Cl)nc2cc1Cl ZINC000032127962 569584429 /nfs/dbraw/zinc/58/44/29/569584429.db2.gz PVAXJWKBTGSNJN-UHFFFAOYSA-N 0 0 426.350 5.047 40 0 IKABRN COc1cc2sc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)nc2cc1Cl ZINC000032126543 569584442 /nfs/dbraw/zinc/58/44/42/569584442.db2.gz ZJOQWVABMCELIL-UHFFFAOYSA-N 0 0 426.350 5.047 40 0 IKABRN COc1cc2sc(NC(=S)NC(=O)c3ccc4ccccc4c3)nc2cc1Cl ZINC000032126360 569584447 /nfs/dbraw/zinc/58/44/47/569584447.db2.gz YOELVRDFGVZAEY-UHFFFAOYSA-N 0 0 427.938 5.238 40 0 IKABRN COc1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1Cl ZINC000032127527 569584511 /nfs/dbraw/zinc/58/45/11/569584511.db2.gz KMUHOILGLKEFCZ-UHFFFAOYSA-N 0 0 446.768 5.392 40 0 IKABRN CCOc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cc1 ZINC000328960048 569584541 /nfs/dbraw/zinc/58/45/41/569584541.db2.gz AWMVSROOWKBIAI-UHFFFAOYSA-N 0 0 430.430 5.759 40 0 IKABRN CCOc1cccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)c1 ZINC000032126856 569584542 /nfs/dbraw/zinc/58/45/42/569584542.db2.gz LPRVFQKWCJDARO-UHFFFAOYSA-N 0 0 426.350 5.129 40 0 IKABRN CCOc1ccccc1Nc1nc2c(s1)CCc1c(Br)ccc(OC)c1-2 ZINC000408897895 569584592 /nfs/dbraw/zinc/58/45/92/569584592.db2.gz JHNCOOXHTFMEJD-UHFFFAOYSA-N 0 0 431.355 5.822 40 0 IKABRN CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329019469 569584633 /nfs/dbraw/zinc/58/46/33/569584633.db2.gz NXIMGHYHHNTTEP-CQSZACIVSA-N 0 0 434.437 6.444 40 0 IKABRN Cc1cnc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc3cc(F)ccc32)s1 ZINC000585263253 569584754 /nfs/dbraw/zinc/58/47/54/569584754.db2.gz SLWTXXJPZYCTBB-UHFFFAOYSA-N 0 0 442.560 5.997 40 0 IKABRN Cc1cccc(C(=O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1C ZINC000065740567 569588224 /nfs/dbraw/zinc/58/82/24/569588224.db2.gz ZXHLCLMKNSXZEJ-UHFFFAOYSA-N 0 0 442.562 6.571 40 0 IKABRN CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 ZINC000096023876 290693234 /nfs/dbraw/zinc/69/32/34/290693234.db2.gz DHBQQMHTQXHLJU-JFAFVJIASA-N 0 0 426.729 8.169 40 0 biogenic IKABRN 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CC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020456308 519837704 /nfs/dbraw/zinc/83/77/04/519837704.db2.gz HTVGLWFZKVWUEY-UHFFFAOYSA-N 0 0 428.941 5.517 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)C(C)(C)O3)cc1 ZINC000012875771 519837727 /nfs/dbraw/zinc/83/77/27/519837727.db2.gz JFQDBLMAAQLBLX-UHFFFAOYSA-N 0 0 428.532 5.767 40 0 IKABRN CC(C)c1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 ZINC000035533880 519837835 /nfs/dbraw/zinc/83/78/35/519837835.db2.gz KFDVSWNBWXWNKX-UHFFFAOYSA-N 0 0 448.998 6.400 40 0 IKABRN CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1 ZINC000022256863 519838504 /nfs/dbraw/zinc/83/85/04/519838504.db2.gz QNAHGEDSRDETPC-UHFFFAOYSA-N 0 0 439.581 5.384 40 0 IKABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(OCC)c(OCC)c2)C1C(=O)OCC ZINC000020672272 519894009 /nfs/dbraw/zinc/89/40/09/519894009.db2.gz OXABHGIHDRGZCQ-XMMPIXPASA-N 0 0 449.551 5.466 40 0 IKABRN CC(C)n1c2ccc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2sc1=O ZINC000225702901 519926754 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IKABRN CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)cc1 ZINC000016768584 521076231 /nfs/dbraw/zinc/07/62/31/521076231.db2.gz CFOHABKPLOUCOP-UHFFFAOYSA-N 0 0 430.533 5.108 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1 ZINC000017098274 521265262 /nfs/dbraw/zinc/26/52/62/521265262.db2.gz RSACGOPARZNVHY-UHFFFAOYSA-N 0 0 432.955 6.286 40 0 IKABRN CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCC3)cc2c1 ZINC000012645073 521281455 /nfs/dbraw/zinc/28/14/55/521281455.db2.gz PQLHARVOJVCQSL-UHFFFAOYSA-N 0 0 446.591 5.809 40 0 IKABRN CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3OCC)C3CCCCC3)cc2c1 ZINC000012645092 521282354 /nfs/dbraw/zinc/28/23/54/521282354.db2.gz GDIZEIPSRKITCL-UHFFFAOYSA-N 0 0 448.563 5.301 40 0 IKABRN CCOc1ccc2c(c1)C(c1ccc(-c3ccc(OC)cc3)cc1)=NNC(c1cccnc1)=N2 ZINC000012707527 521285397 /nfs/dbraw/zinc/28/53/97/521285397.db2.gz IPZOUKIQEGXOPZ-UHFFFAOYSA-N 0 0 448.526 5.590 40 0 IKABRN CCOc1ccc2nc(NC(=O)CSc3nc(C)nc4sc(C)c(C)c43)sc2c1 ZINC000012636677 521302951 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5.823 40 0 IKABRN CCOc1ccccc1NC(=O)CSc1nc(COc2ccccc2)nc2ccccc21 ZINC000035292050 521531010 /nfs/dbraw/zinc/53/10/10/521531010.db2.gz UGJMTWWLPQSGIY-UHFFFAOYSA-N 0 0 445.544 5.338 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1C ZINC000020487915 521543762 /nfs/dbraw/zinc/54/37/62/521543762.db2.gz KTAREODJEVUKEG-UHFFFAOYSA-N 0 0 428.532 5.377 40 0 IKABRN CCCc1nnc2sc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nn12 ZINC000020609692 521574374 /nfs/dbraw/zinc/57/43/74/521574374.db2.gz FUSISJKKUNEXBF-UHFFFAOYSA-N 0 0 449.580 5.120 40 0 IKABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 ZINC000020609633 521574467 /nfs/dbraw/zinc/57/44/67/521574467.db2.gz WWOWADWHDGOJLM-UHFFFAOYSA-N 0 0 432.336 5.364 40 0 IKABRN CCOC(=O)c1nnc2c(-c3ccccc3)c(CC)nn2c1CSc1ccc(C)cc1 ZINC000020797710 521606471 /nfs/dbraw/zinc/60/64/71/521606471.db2.gz UVBNZWMDQIMSJY-UHFFFAOYSA-N 0 0 432.549 5.131 40 0 IKABRN CCCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccccn1 ZINC000035289136 521632791 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COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Br)o1 ZINC000020611379 521836896 /nfs/dbraw/zinc/83/68/96/521836896.db2.gz ZKRRDSAWJLOELM-UHFFFAOYSA-N 0 0 448.660 5.160 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000001268985 521837437 /nfs/dbraw/zinc/83/74/37/521837437.db2.gz ISUABLDYBIZBMT-KPKJPENVSA-N 0 0 441.314 5.906 40 0 IKABRN CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=N)NC3=O)cc2OC)cc1 ZINC000041077981 522038943 /nfs/dbraw/zinc/03/89/43/522038943.db2.gz ORGCQZAEKLKSJN-PZBNQXIHSA-N 0 0 440.565 5.195 40 0 IKABRN CC[C@@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022255695 522103563 /nfs/dbraw/zinc/10/35/63/522103563.db2.gz AKROUNOHGWXMGA-GGAORHGYSA-N 0 0 446.595 5.397 40 0 IKABRN CCc1nc(SCc2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2)n[nH]1 ZINC000020611451 522134692 /nfs/dbraw/zinc/13/46/92/522134692.db2.gz KRWVYXMUXXPMLZ-UHFFFAOYSA-N 0 0 437.352 5.227 40 0 IKABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1 ZINC000022535351 522531877 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ZINC000020495529 523058898 /nfs/dbraw/zinc/05/88/98/523058898.db2.gz GWSYGNSTSJKZMM-XMMPIXPASA-N 0 0 429.560 6.320 40 0 IKABRN COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cc(OC)c(O)c(OC)c3)no2)cc1 ZINC000012185643 523116042 /nfs/dbraw/zinc/11/60/42/523116042.db2.gz JFJLXBNHMBIWGW-NRFANRHFSA-N 0 0 438.524 5.190 40 0 IKABRN COc1ccc(-c2ccc(C3=NNC(c4cccs4)=Nc4ccc(F)cc43)cc2)cc1 ZINC000012497688 523133157 /nfs/dbraw/zinc/13/31/57/523133157.db2.gz BEGWUGAYQCIMRG-UHFFFAOYSA-N 0 0 427.504 5.997 40 0 IKABRN CCn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236886 523327872 /nfs/dbraw/zinc/32/78/72/523327872.db2.gz ALMXEHBPUNCHHW-UHFFFAOYSA-N 0 0 442.481 5.135 40 0 IKABRN CCn1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237049 523342405 /nfs/dbraw/zinc/34/24/05/523342405.db2.gz VYMOBQGGXIDTOE-CYBMUJFWSA-N 0 0 434.483 5.253 40 0 IKABRN COc1ccc(-n2nc(C)c([C@H]3C=C[C@@H](OC(=O)N[C@H](C)c4ccccc4)C3)c2C)cc1 ZINC000015673945 523345976 /nfs/dbraw/zinc/34/59/76/523345976.db2.gz RXMOTAGYNKNGMD-QATBIIFWSA-N 0 0 431.536 5.397 40 0 biogenic,in-vitro IKABRN CCn1cc(C(=O)Nc2ccccc2Br)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236759 523347391 /nfs/dbraw/zinc/34/73/91/523347391.db2.gz SKBPZUASXAAIQQ-UHFFFAOYSA-N 0 0 439.231 5.055 40 0 IKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1Cl ZINC000020610759 523349496 /nfs/dbraw/zinc/34/94/96/523349496.db2.gz IEFKMGJHAYFUGE-UHFFFAOYSA-N 0 0 436.899 5.122 40 0 IKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 ZINC000020611300 523349996 /nfs/dbraw/zinc/34/99/96/523349996.db2.gz ILBBOYIHUIVRQI-UHFFFAOYSA-N 0 0 430.508 5.025 40 0 IKABRN COc1ccc(C(=O)Cn2nc(COc3ccccc3)n(-c3ccc(C)cc3)c2=S)cc1 ZINC000016769108 523596603 /nfs/dbraw/zinc/59/66/03/523596603.db2.gz CTRXGMCKMALGCS-UHFFFAOYSA-N 0 0 445.544 5.182 40 0 IKABRN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2C)cc1 ZINC000021595165 523615146 /nfs/dbraw/zinc/61/51/46/523615146.db2.gz PWKQDMJPAXYLSL-UHFFFAOYSA-N 0 0 426.516 5.309 40 0 IKABRN CCc1c(C)sc2nc(C3CC3)nc(SCC(=O)Nc3ccc(N(C)C)cc3)c12 ZINC000012500106 523720095 /nfs/dbraw/zinc/72/00/95/523720095.db2.gz MAUVMKKNROUEEV-UHFFFAOYSA-N 0 0 426.611 5.236 40 0 IKABRN CCc1c(C)sc2nc(-c3ccccc3)nc(SCC(=O)Nc3cccc(OC)c3)c12 ZINC000012881803 523720213 /nfs/dbraw/zinc/72/02/13/523720213.db2.gz MODVMYPWKRKNGX-UHFFFAOYSA-N 0 0 449.601 5.969 40 0 IKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)Nc1ccc(OC)cc1 ZINC000035289728 523741933 /nfs/dbraw/zinc/74/19/33/523741933.db2.gz PDJTXNOAQABJPB-UHFFFAOYSA-N 0 0 427.932 5.194 40 0 IKABRN CN(C(=O)C1CCCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 ZINC000012326086 523789327 /nfs/dbraw/zinc/78/93/27/523789327.db2.gz PIMYLGHVCAKUCO-UHFFFAOYSA-N 0 0 437.609 5.433 40 0 IKABRN CN(C(=O)C1CCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 ZINC000012326111 523789488 /nfs/dbraw/zinc/78/94/88/523789488.db2.gz NTCFWRVZYZWYAX-UHFFFAOYSA-N 0 0 449.551 5.305 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(C)cc4F)cc3n2)cc1 ZINC000020611259 523868877 /nfs/dbraw/zinc/86/88/77/523868877.db2.gz DSXRRWJZJJWXMJ-UHFFFAOYSA-N 0 0 432.499 5.065 40 0 IKABRN CO[C@H]1C=C2CC[C@H]3[C@@H]4CC[C@@](O)(CSc5nccn5C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000012659644 523961338 /nfs/dbraw/zinc/96/13/38/523961338.db2.gz BNOQCYMVNKKTQV-GPZVHATJSA-N 0 0 430.658 5.221 40 0 IKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(Cl)c2)cc1 ZINC000020970102 523968969 /nfs/dbraw/zinc/96/89/69/523968969.db2.gz DNMHBFVQWCCUMV-DEOSSOPVSA-N 0 0 442.950 6.180 40 0 IKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(F)c2)cc1 ZINC000020970091 523968990 /nfs/dbraw/zinc/96/89/90/523968990.db2.gz RMIYOSNUHQFGTM-XMMPIXPASA-N 0 0 426.495 5.665 40 0 IKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(OC)c2)cc1 ZINC000020970122 523969113 /nfs/dbraw/zinc/96/91/13/523969113.db2.gz IRXZUKGGKYUNLF-RUZDIDTESA-N 0 0 438.531 5.535 40 0 IKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000020970045 523969204 /nfs/dbraw/zinc/96/92/04/523969204.db2.gz ZTIBLFOUFUONBE-RUZDIDTESA-N 0 0 438.531 5.535 40 0 IKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(F)c2)cc1 ZINC000020970093 523969263 /nfs/dbraw/zinc/96/92/63/523969263.db2.gz RMIYOSNUHQFGTM-DEOSSOPVSA-N 0 0 426.495 5.665 40 0 IKABRN CCc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc4c(c3)CCCC4)n3ccccc23)cc1 ZINC000022760585 523991178 /nfs/dbraw/zinc/99/11/78/523991178.db2.gz BGGXQLUICKWTRN-UHFFFAOYSA-N 0 0 437.543 5.446 40 0 IKABRN CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020484789 523992312 /nfs/dbraw/zinc/99/23/12/523992312.db2.gz QKMXYNDUUAOZIR-UHFFFAOYSA-N 0 0 428.941 5.264 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 ZINC000016161946 523997288 /nfs/dbraw/zinc/99/72/88/523997288.db2.gz VTZQVFXEUHMHRS-PZDOZLBDSA-N 0 0 445.371 6.415 40 0 IKABRN COc1ccc(CN(Cc2cc3cc(C)ccc3nc2Cl)C(=O)c2cccs2)cc1 ZINC000035288729 524013214 /nfs/dbraw/zinc/01/32/14/524013214.db2.gz UKYDYONLFRNWKZ-UHFFFAOYSA-N 0 0 436.964 6.109 40 0 IKABRN COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)C2CCCCC2)cc1 ZINC000012644373 524013741 /nfs/dbraw/zinc/01/37/41/524013741.db2.gz TYJICUHFXYAMMN-UHFFFAOYSA-N 0 0 432.564 5.263 40 0 IKABRN COc1ccc(CN(Cc2cc3c(C)cc(C)cc3nc2Cl)C(=O)c2cnccn2)cc1 ZINC000035290138 524013799 /nfs/dbraw/zinc/01/37/99/524013799.db2.gz QUMNBLMLMHUSSS-UHFFFAOYSA-N 0 0 446.938 5.146 40 0 IKABRN COc1ccc(CN(Cc2cc3cc(C)ccc3nc2Cl)C(=O)c2ccc(C)cc2)cc1 ZINC000012493677 524013832 /nfs/dbraw/zinc/01/38/32/524013832.db2.gz JXYKRQPXECKNLR-UHFFFAOYSA-N 0 0 444.962 6.356 40 0 IKABRN COc1ccc(CN2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)c(OC)c1OC ZINC000012185715 524025426 /nfs/dbraw/zinc/02/54/26/524025426.db2.gz WSGWUZVUVXPTAE-NRFANRHFSA-N 0 0 440.515 5.624 40 0 IKABRN CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)cc2c1 ZINC000012706656 524057743 /nfs/dbraw/zinc/05/77/43/524057743.db2.gz LFHOSIXEGVITDW-UHFFFAOYSA-N 0 0 437.971 6.111 40 0 IKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)c3ccccc3)cc2c1 ZINC000012644042 524057968 /nfs/dbraw/zinc/05/79/68/524057968.db2.gz UOCOHEVPIWDDIQ-UHFFFAOYSA-N 0 0 430.935 5.587 40 0 IKABRN COc1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC ZINC000020490822 524066323 /nfs/dbraw/zinc/06/63/23/524066323.db2.gz IFPKEDOTUZKTNA-UHFFFAOYSA-N 0 0 427.953 5.580 40 0 IKABRN C[C@@H](C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1ccccc1 ZINC000012220845 524089470 /nfs/dbraw/zinc/08/94/70/524089470.db2.gz NAFDHZYJHNYRHK-QGZVFWFLSA-N 0 0 445.588 5.266 40 0 IKABRN Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2Cc2ccccc2)c1 ZINC000012496331 524127211 /nfs/dbraw/zinc/12/72/11/524127211.db2.gz ZHDGPBNGJNEHBL-LJQANCHMSA-N 0 0 428.561 5.421 40 0 IKABRN Cc1cccc(-c2sc(=S)n3c2n(Cc2cccc(F)c2)c(=O)c2ccccc23)c1 ZINC000020617854 524136135 /nfs/dbraw/zinc/13/61/35/524136135.db2.gz HGLJOKVIFXVGLS-UHFFFAOYSA-N 0 0 432.545 6.208 40 0 IKABRN COc1ccc(Cc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1OC ZINC000035167720 524166286 /nfs/dbraw/zinc/16/62/86/524166286.db2.gz JWRLUMOHAFLCEH-UHFFFAOYSA-N 0 0 443.547 5.086 40 0 IKABRN Cc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000017098532 524187819 /nfs/dbraw/zinc/18/78/19/524187819.db2.gz FHNLWWVVVXRHFF-UHFFFAOYSA-N 0 0 433.558 5.413 40 0 IKABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc5c(s4)CCCC5)C3)cc2n1 ZINC000012257767 524203945 /nfs/dbraw/zinc/20/39/45/524203945.db2.gz YVJRQELTCVLZIN-OAHLLOKOSA-N 0 0 448.514 5.017 40 0 IKABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)cc2n1 ZINC000012257694 524206081 /nfs/dbraw/zinc/20/60/81/524206081.db2.gz SVMDUHPVAHGFCC-AWEZNQCLSA-N 0 0 448.514 5.017 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 ZINC000022392942 524233012 /nfs/dbraw/zinc/23/30/12/524233012.db2.gz XROBEAPMNYYVJI-UHFFFAOYSA-N 0 0 446.569 5.153 40 0 IKABRN Cc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(N(C)C)cc3)=NN2)cc1 ZINC000012487063 524237380 /nfs/dbraw/zinc/23/73/80/524237380.db2.gz YDGWHOLKDGLTDQ-UHFFFAOYSA-N 0 0 433.353 5.257 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000022510125 524241194 /nfs/dbraw/zinc/24/11/94/524241194.db2.gz ADWCWJXIYIAWKZ-UHFFFAOYSA-N 0 0 442.968 5.825 40 0 IKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000020453504 524251407 /nfs/dbraw/zinc/25/14/07/524251407.db2.gz CUCFMCGUOSZNHP-RTWAWAEBSA-N 0 0 430.548 5.509 40 0 IKABRN Cc1ccc(CC(=O)N2CC[C@@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N4)C2)cc1 ZINC000012160679 524257768 /nfs/dbraw/zinc/25/77/68/524257768.db2.gz CKRQYAJBMKDSML-RLLQIKCJSA-N 0 0 448.533 5.084 40 0 IKABRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1Cl ZINC000035290234 524282307 /nfs/dbraw/zinc/28/23/07/524282307.db2.gz JXLPTQSVHGGHTG-UHFFFAOYSA-N 0 0 449.967 5.330 40 0 IKABRN COc1ccccc1-c1nnc(SCC(=O)c2ccccc2Cl)n1-c1ccccc1 ZINC000016807880 524291848 /nfs/dbraw/zinc/29/18/48/524291848.db2.gz WKNVEGHQLVRIEL-UHFFFAOYSA-N 0 0 435.936 5.571 40 0 IKABRN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1Cc1ccccc1 ZINC000012494127 524292251 /nfs/dbraw/zinc/29/22/51/524292251.db2.gz OSGPTKVOKDFYEX-SFHVURJKSA-N 0 0 444.560 5.121 40 0 IKABRN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccccc1 ZINC000012492893 524296148 /nfs/dbraw/zinc/29/61/48/524296148.db2.gz XJKKRQFSFSYJKQ-FQEVSTJZSA-N 0 0 442.588 5.730 40 0 IKABRN Cc1cccc(C)c1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000016776843 524316566 /nfs/dbraw/zinc/31/65/66/524316566.db2.gz DGOYCDUBBISGKZ-FQEVSTJZSA-N 0 0 443.522 5.392 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)c3ccccc3)cc2c1 ZINC000012493809 524352495 /nfs/dbraw/zinc/35/24/95/524352495.db2.gz POORQUGUYSVZPN-UHFFFAOYSA-N 0 0 432.926 6.487 40 0 IKABRN C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCc4cc(=O)[nH]c5ccccc45)c23)C1 ZINC000012639555 524436903 /nfs/dbraw/zinc/43/69/03/524436903.db2.gz WUYZKAKNFMIOBM-ZDUSSCGKSA-N 0 0 433.602 5.827 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)c1 ZINC000020490661 524439427 /nfs/dbraw/zinc/43/94/27/524439427.db2.gz WKXQOTHHEKKYKG-XMMPIXPASA-N 0 0 448.588 5.220 40 0 IKABRN COc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000035289176 524443887 /nfs/dbraw/zinc/44/38/87/524443887.db2.gz JEPRRRDXKVDISE-UHFFFAOYSA-N 0 0 445.494 5.219 40 0 IKABRN COc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccccc1 ZINC000012496294 524599472 /nfs/dbraw/zinc/59/94/72/524599472.db2.gz VLXIVGZIPYNRNN-UHFFFAOYSA-N 0 0 444.560 5.041 40 0 IKABRN COc1ccccc1NC(=O)N(c1nc(-c2ccc(C)cc2)cs1)C1=NCCCCC1 ZINC000022756988 524608347 /nfs/dbraw/zinc/60/83/47/524608347.db2.gz NTZWMZYGRPXFKA-UHFFFAOYSA-N 0 0 434.565 6.138 40 0 IKABRN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(OC)cc3)n2)cc1 ZINC000014922856 524719529 /nfs/dbraw/zinc/71/95/29/524719529.db2.gz UDVGZSXPQRYXKY-UHFFFAOYSA-N 0 0 444.495 5.128 40 0 IKABRN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCc4cc(=O)[nH]c5ccccc45)c23)C1 ZINC000012639549 524726505 /nfs/dbraw/zinc/72/65/05/524726505.db2.gz WUYZKAKNFMIOBM-CYBMUJFWSA-N 0 0 433.602 5.827 40 0 IKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000020484338 524731690 /nfs/dbraw/zinc/73/16/90/524731690.db2.gz UAVGOJDKPYJVQE-UHFFFAOYSA-N 0 0 443.827 5.537 40 0 IKABRN COc1ccc(OC)c(-c2cs/c(=N\c3cccc(C)c3C)n2-c2cccc(C)c2C)c1 ZINC000012624789 524794452 /nfs/dbraw/zinc/79/44/52/524794452.db2.gz OXQKPZQFBZNADZ-DQSJHHFOSA-N 0 0 444.600 6.689 40 0 IKABRN COc1ccccc1[C@H]1C(C(=O)Nc2ccc(Cl)cc2)=C(C)Nc2nc3ccccc3n21 ZINC000020797504 524801615 /nfs/dbraw/zinc/80/16/15/524801615.db2.gz LANZYIPLNKIIJO-QHCPKHFHSA-N 0 0 444.922 5.626 40 0 IKABRN Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5Cl)nc4nc3C2)c1 ZINC000020795955 524839876 /nfs/dbraw/zinc/83/98/76/524839876.db2.gz XNRFGMKKKDJZDS-KRWDZBQOSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1cccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000020797452 524840251 /nfs/dbraw/zinc/84/02/51/524840251.db2.gz QPDKFIGDPWKYMW-HSZRJFAPSA-N 0 0 428.923 5.926 40 0 IKABRN COc1ccc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1 ZINC000020541164 524863017 /nfs/dbraw/zinc/86/30/17/524863017.db2.gz AHJGHIIGKZJOQL-UHFFFAOYSA-N 0 0 432.883 5.002 40 0 IKABRN Cc1cccc([C@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000020970433 524885120 /nfs/dbraw/zinc/88/51/20/524885120.db2.gz IQPXAYLMJNWCGU-QHCPKHFHSA-N 0 0 428.923 5.926 40 0 IKABRN Cc1cccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000020797456 524885260 /nfs/dbraw/zinc/88/52/60/524885260.db2.gz QPDKFIGDPWKYMW-QHCPKHFHSA-N 0 0 428.923 5.926 40 0 IKABRN Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4cccc(C)c4)no3)C(C)(C)C)C2)cc1 ZINC000022255706 524948684 /nfs/dbraw/zinc/94/86/84/524948684.db2.gz DLJNRLLPFDRPLX-JOCHJYFZSA-N 0 0 446.595 5.397 40 0 IKABRN Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4ccccc4)no3)C3CCCC3)C2)cc1 ZINC000022255744 524955266 /nfs/dbraw/zinc/95/52/66/524955266.db2.gz HAPPFXBEZKKWJK-QFIPXVFZSA-N 0 0 444.579 5.233 40 0 IKABRN Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccn1 ZINC000035289296 525024453 /nfs/dbraw/zinc/02/44/53/525024453.db2.gz DCUWGUFEIPEKJI-UHFFFAOYSA-N 0 0 435.940 5.022 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2Cc2ccccc2)c(C)c1 ZINC000012493992 525083900 /nfs/dbraw/zinc/08/39/00/525083900.db2.gz MBNUINKXQCRNSU-UHFFFAOYSA-N 0 0 444.560 5.047 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020456525 525085484 /nfs/dbraw/zinc/08/54/84/525085484.db2.gz XEZJFZRRNUYLDR-UHFFFAOYSA-N 0 0 438.549 5.046 40 0 IKABRN Cc1ccccc1CC(=O)N1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000012160785 525095705 /nfs/dbraw/zinc/09/57/05/525095705.db2.gz WCKFLZIELMIGRP-SXLOBPIMSA-N 0 0 448.533 5.084 40 0 IKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1OC ZINC000020456618 525107911 /nfs/dbraw/zinc/10/79/11/525107911.db2.gz BBECYMVNTBRLNR-KRWDZBQOSA-N 0 0 439.602 6.115 40 0 IKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000020451020 525112585 /nfs/dbraw/zinc/11/25/85/525112585.db2.gz SZUSTHQRWKNIOS-QZTJIDSGSA-N 0 0 434.561 5.306 40 0 IKABRN Cc1ccccc1CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022514092 525181730 /nfs/dbraw/zinc/18/17/30/525181730.db2.gz KRTHYYCOMCQGQV-UHFFFAOYSA-N 0 0 436.577 5.487 40 0 IKABRN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(C3CCCCC3)n2Cc2ccccc2)cc1 ZINC000012494210 525214831 /nfs/dbraw/zinc/21/48/31/525214831.db2.gz GMTRRTYCTNORLV-IBGZPJMESA-N 0 0 434.609 5.802 40 0 IKABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000021005509 525215834 /nfs/dbraw/zinc/21/58/34/525215834.db2.gz VKGFYMJPVWSULX-HSZRJFAPSA-N 0 0 444.922 5.626 40 0 IKABRN Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)c(Br)c1 ZINC000012483899 525231356 /nfs/dbraw/zinc/23/13/56/525231356.db2.gz FXVILEJKKXYJLE-UHFFFAOYSA-N 0 0 431.333 6.533 40 0 IKABRN Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1Cl ZINC000020486764 525233595 /nfs/dbraw/zinc/23/35/95/525233595.db2.gz XTTGIYMSQJIEME-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)nn1C1CCCC1 ZINC000036616460 525239686 /nfs/dbraw/zinc/23/96/86/525239686.db2.gz AAGWJOISPXPAEC-UHFFFAOYSA-N 0 0 440.551 5.479 40 0 IKABRN Cc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448462 525265391 /nfs/dbraw/zinc/26/53/91/525265391.db2.gz YZZVRMOYTGETHA-MRXNPFEDSA-N 0 0 440.952 5.041 40 0 IKABRN C[C@H](NC(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F)c1ccccc1 ZINC000239347093 525273564 /nfs/dbraw/zinc/27/35/64/525273564.db2.gz MCDMIBHTTQBFAB-WHOFXGATSA-N 0 0 438.837 5.281 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2C)cc1 ZINC000020484931 525295849 /nfs/dbraw/zinc/29/58/49/525295849.db2.gz CJWXKSNMBPJUCG-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000020481540 525348200 /nfs/dbraw/zinc/34/82/00/525348200.db2.gz ACVAYOPTEBHZDO-SFHVURJKSA-N 0 0 440.765 5.394 40 0 IKABRN Cc1ccc(OCCCC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2C)c(C)c1 ZINC000019132804 525403749 /nfs/dbraw/zinc/40/37/49/525403749.db2.gz CFXHGPLFVHJEEG-HSZRJFAPSA-N 0 0 432.568 5.310 40 0 IKABRN Cc1ccccc1[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccccc1 ZINC000020492722 525426035 /nfs/dbraw/zinc/42/60/35/525426035.db2.gz BWWPRCOYKQGVKO-XMMPIXPASA-N 0 0 438.365 5.659 40 0 IKABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)cc2c1 ZINC000012644927 525477124 /nfs/dbraw/zinc/47/71/24/525477124.db2.gz UYTJIVGKIJMRHS-UHFFFAOYSA-N 0 0 432.907 5.033 40 0 IKABRN COc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(C(C)C)cc1)=N2 ZINC000012707481 525508162 /nfs/dbraw/zinc/50/81/62/525508162.db2.gz QODBRHSGBIIUCO-UHFFFAOYSA-N 0 0 429.520 5.270 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2Cl)cc1 ZINC000020485362 525596428 /nfs/dbraw/zinc/59/64/28/525596428.db2.gz LDLXPCMSJRRMDC-UHFFFAOYSA-N 0 0 440.952 5.042 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000020491401 525604173 /nfs/dbraw/zinc/60/41/73/525604173.db2.gz HDXDBPSUOTWCQG-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN COc1ccc2cc(Cc3ccccc3)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1 ZINC000012499986 525634344 /nfs/dbraw/zinc/63/43/44/525634344.db2.gz WBRWGOSURWQCCA-UHFFFAOYSA-N 0 0 449.601 5.638 40 0 IKABRN COc1ccc2nc(Cl)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3)cc2c1 ZINC000035314135 525666451 /nfs/dbraw/zinc/66/64/51/525666451.db2.gz IWCRYVGAPXFMJT-UHFFFAOYSA-N 0 0 432.911 5.526 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)nc2cc1Cl ZINC000016284280 525702244 /nfs/dbraw/zinc/70/22/44/525702244.db2.gz VPEPXTPJSQOWRO-UHFFFAOYSA-N 0 0 430.769 5.692 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 ZINC000020490064 525715233 /nfs/dbraw/zinc/71/52/33/525715233.db2.gz DXJPEVAPARSGKX-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 ZINC000020451683 525717407 /nfs/dbraw/zinc/71/74/07/525717407.db2.gz JHYDFXSHWLCPLT-HRFSGMKKSA-N 0 0 444.600 5.569 40 0 IKABRN COc1cccc(-c2nn(-c3cccc(Cl)c3)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000017094298 525729603 /nfs/dbraw/zinc/72/96/03/525729603.db2.gz SYVQNUAVOLHRNN-UHFFFAOYSA-N 0 0 425.315 6.530 40 0 IKABRN Cc1ccc(-c2ccccc2CC2(C(=O)NCCc3ccncc3)CCOCC2)c(C)c1 ZINC000019132886 525756400 /nfs/dbraw/zinc/75/64/00/525756400.db2.gz NUQWBTRWCZEBMR-UHFFFAOYSA-N 0 0 428.576 5.064 40 0 IKABRN Cc1ccc([C@@H](NC(=O)CSCc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000020453323 525769456 /nfs/dbraw/zinc/76/94/56/525769456.db2.gz KCEZFRCUJDUVQZ-QHCPKHFHSA-N 0 0 440.406 5.897 40 0 IKABRN Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c2ccccc2)cc1 ZINC000020450755 525773379 /nfs/dbraw/zinc/77/33/79/525773379.db2.gz TVSIYSHEFIBLMM-LJAQVGFWSA-N 0 0 432.567 6.077 40 0 IKABRN Cc1ccc(-c2csc3nnc(SCC(=O)Nc4cccc(Cl)c4Cl)n23)cc1 ZINC000012878631 525786696 /nfs/dbraw/zinc/78/66/96/525786696.db2.gz UADQPMCQJVGWGR-UHFFFAOYSA-N 0 0 449.388 5.804 40 0 IKABRN Cc1ccc(-c2csc3nnc(SCC(=O)Nc4ccccc4Cl)n23)cc1C ZINC000012878663 525787155 /nfs/dbraw/zinc/78/71/55/525787155.db2.gz MKFFJWJBWCWLAQ-UHFFFAOYSA-N 0 0 428.970 5.459 40 0 IKABRN Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)cc1 ZINC000020632460 525793324 /nfs/dbraw/zinc/79/33/24/525793324.db2.gz HBZQWNWJAUKKQN-KRWDZBQOSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1ccc(-c2noc(CN(CC(C)C)C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1 ZINC000022255832 525877974 /nfs/dbraw/zinc/87/79/74/525877974.db2.gz NZMODONSDGBIHD-HSZRJFAPSA-N 0 0 446.595 5.255 40 0 IKABRN C[C@H](OC(=O)Nc1ccc(Cl)cc1)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000019014978 525885594 /nfs/dbraw/zinc/88/55/94/525885594.db2.gz RGLPJASNTHMEBQ-AWEZNQCLSA-N 0 0 444.318 6.947 40 0 IKABRN Cc1ccc(-c2sc(=S)n3c2n(Cc2ccccc2C)c(=O)c2ccccc23)cc1 ZINC000020378562 525890804 /nfs/dbraw/zinc/89/08/04/525890804.db2.gz DBAQSLMGFRUZIX-UHFFFAOYSA-N 0 0 428.582 6.377 40 0 IKABRN Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccc(F)cc5)o4)cc3n2)cc1 ZINC000020609963 525930931 /nfs/dbraw/zinc/93/09/31/525930931.db2.gz QYACIDJPFRAKRJ-NTCAYCPXSA-N 0 0 438.462 5.780 40 0 IKABRN Cc1ccc(-n2nc3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020609992 525931666 /nfs/dbraw/zinc/93/16/66/525931666.db2.gz UGSORUGWSDSTKM-CQSZACIVSA-N 0 0 441.318 5.442 40 0 IKABRN Cc1ccc(-n2nc3ccc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020609993 525932038 /nfs/dbraw/zinc/93/20/38/525932038.db2.gz UGSORUGWSDSTKM-AWEZNQCLSA-N 0 0 441.318 5.442 40 0 IKABRN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 ZINC000012847142 526035762 /nfs/dbraw/zinc/03/57/62/526035762.db2.gz IIAIGXQNFMCHGE-RTBURBONSA-N 0 0 448.876 6.066 40 0 IKABRN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(Cl)c4)cc3N2)cc1 ZINC000012846958 526037412 /nfs/dbraw/zinc/03/74/12/526037412.db2.gz GPZSMSYTTQJDIX-IEBWSBKVSA-N 0 0 448.876 6.066 40 0 IKABRN Cc1cc(-c2cnc(SCC(=O)c3ccc(F)cc3F)nc2-c2cccs2)on1 ZINC000012233150 526046196 /nfs/dbraw/zinc/04/61/96/526046196.db2.gz LSWRXDWZXUVMJY-UHFFFAOYSA-N 0 0 429.473 5.422 40 0 IKABRN CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020489883 526176949 /nfs/dbraw/zinc/17/69/49/526176949.db2.gz KVQMDIPUWNFRPK-UHFFFAOYSA-N 0 0 432.954 5.115 40 0 IKABRN COc1cccc(NC(=O)N(Cc2cc3cccc(C)c3nc2Cl)C2CCCCC2)c1 ZINC000035311132 526186102 /nfs/dbraw/zinc/18/61/02/526186102.db2.gz DEFBBMVNISOFSI-UHFFFAOYSA-N 0 0 437.971 6.572 40 0 IKABRN COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000019637660 526218683 /nfs/dbraw/zinc/21/86/83/526218683.db2.gz ORSJLAFNGTYYLL-UHFFFAOYSA-N 0 0 443.286 6.071 40 0 IKABRN COc1cccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000035167738 526231684 /nfs/dbraw/zinc/23/16/84/526231684.db2.gz SGQCHKKOPLESGH-HXUWFJFHSA-N 0 0 441.531 5.035 40 0 IKABRN Cc1ccc2cc3cc(C(=O)N(CC(=O)NC4CCCC4)Cc4ccco4)sc3nc2c1 ZINC000012635886 526233749 /nfs/dbraw/zinc/23/37/49/526233749.db2.gz NHMDSVUMQGWXLT-UHFFFAOYSA-N 0 0 447.560 5.052 40 0 IKABRN Cc1ccc2nc(-c3ccc4c(c3)OCCO4)cc(C(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000016348250 526242212 /nfs/dbraw/zinc/24/22/12/526242212.db2.gz BOLIHYHMGFARHM-UHFFFAOYSA-N 0 0 430.891 5.887 40 0 IKABRN Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000020541171 526292228 /nfs/dbraw/zinc/29/22/28/526292228.db2.gz CGZZXWRUOXYLJE-UHFFFAOYSA-N 0 0 440.828 6.004 40 0 IKABRN Fc1ccc(C2=Nc3c4ccccc4ccc3C(c3cccc(C(F)(F)F)c3)=NN2)cc1 ZINC000012881025 526327503 /nfs/dbraw/zinc/32/75/03/526327503.db2.gz KUFOILGWQIYIGX-UHFFFAOYSA-N 0 0 433.408 6.432 40 0 IKABRN Fc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCCC3(CCCCC3)C2)cc1 ZINC000012642005 526347741 /nfs/dbraw/zinc/34/77/41/526347741.db2.gz BHNDLKRYZBPIJU-HSZRJFAPSA-N 0 0 437.538 5.135 40 0 IKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000224393429 526352470 /nfs/dbraw/zinc/35/24/70/526352470.db2.gz FVHFPSBVIBKTJF-GOTSBHOMSA-N 0 0 448.954 5.842 40 0 IKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000224393483 526352970 /nfs/dbraw/zinc/35/29/70/526352970.db2.gz FVHFPSBVIBKTJF-PKTZIBPZSA-N 0 0 448.954 5.842 40 0 IKABRN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020459761 526372563 /nfs/dbraw/zinc/37/25/63/526372563.db2.gz JWKLVCDEEXNSJH-UHFFFAOYSA-N 0 0 437.008 5.566 40 0 IKABRN O=C(NCc1ccc(F)cc1)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)c1ccco1 ZINC000035312318 526672988 /nfs/dbraw/zinc/67/29/88/526672988.db2.gz PKRSGZXUGCODON-HSZRJFAPSA-N 0 0 448.519 5.180 40 0 IKABRN O=C(c1ccc(N(c2ccccc2)c2ccccc2)s1)N(c1ccccc1)c1ccccc1 ZINC000016488041 526696601 /nfs/dbraw/zinc/69/66/01/526696601.db2.gz PLUTXEAMUVBJAZ-UHFFFAOYSA-N 0 0 446.575 8.196 40 0 IKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@H]1c1nn(C)cc1Cl ZINC000012133824 526848828 /nfs/dbraw/zinc/84/88/28/526848828.db2.gz AGQBDDRZOMHYSV-KRWDZBQOSA-N 0 0 433.339 5.448 40 0 IKABRN Cc1sc2nc(C)nc(SCC(=O)N3c4ccccc4CCc4ccccc43)c2c1C ZINC000012636684 526888623 /nfs/dbraw/zinc/88/86/23/526888623.db2.gz MKPRYYXGKGSHPA-UHFFFAOYSA-N 0 0 445.613 6.172 40 0 IKABRN Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3ccccc3C(F)(F)F)c2c1C ZINC000012639850 526890533 /nfs/dbraw/zinc/89/05/33/526890533.db2.gz VVJADPHZOOPWTI-UHFFFAOYSA-N 0 0 437.512 5.935 40 0 IKABRN Cc1sc2nc(Cc3ccccc3)n3c(SCC(=O)c4ccccc4)nnc3c2c1C ZINC000012500006 526894704 /nfs/dbraw/zinc/89/47/04/526894704.db2.gz XIZSQLINKQGPOL-UHFFFAOYSA-N 0 0 444.585 5.522 40 0 IKABRN Clc1ccc(-c2noc(CSc3nc4ccccc4n3Cc3ccccc3)n2)cc1 ZINC000015022968 526937739 /nfs/dbraw/zinc/93/77/39/526937739.db2.gz VXHDWFVFQBLIIC-UHFFFAOYSA-N 0 0 432.936 6.080 40 0 IKABRN O=C(COc1ccc(-c2cc3ccccc3oc2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000041091636 526945631 /nfs/dbraw/zinc/94/56/31/526945631.db2.gz AAORBTASURGIRI-UHFFFAOYSA-N 0 0 439.389 5.496 40 0 IKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000022245570 526952834 /nfs/dbraw/zinc/95/28/34/526952834.db2.gz XFNCSYPYCIHVHK-CYBMUJFWSA-N 0 0 430.371 5.473 40 0 IKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000022246152 527002747 /nfs/dbraw/zinc/00/27/47/527002747.db2.gz SAPZHNQOCIZUFR-LLVKDONJSA-N 0 0 434.334 5.588 40 0 IKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000022246155 527003586 /nfs/dbraw/zinc/00/35/86/527003586.db2.gz SAPZHNQOCIZUFR-NSHDSACASA-N 0 0 434.334 5.588 40 0 IKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000022246126 527003785 /nfs/dbraw/zinc/00/37/85/527003785.db2.gz JQODHBYNBCCOAZ-NSHDSACASA-N 0 0 434.334 5.588 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020494781 527023748 /nfs/dbraw/zinc/02/37/48/527023748.db2.gz JXNXSJYQRIRFSW-UHFFFAOYSA-N 0 0 428.690 6.538 40 0 IKABRN O=C(CSc1nc(COc2ccccc2)nc2ccccc21)Nc1ccccc1Cl ZINC000035292059 527054510 /nfs/dbraw/zinc/05/45/10/527054510.db2.gz OJQXYXPMVPTEAB-UHFFFAOYSA-N 0 0 435.936 5.593 40 0 IKABRN O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)Nc1ccccc1Cl ZINC000016450340 527057318 /nfs/dbraw/zinc/05/73/18/527057318.db2.gz TVNRCEPSSOEYDB-UHFFFAOYSA-N 0 0 444.387 6.060 40 0 IKABRN O=C(CSc1nc2ccccc2cc1CC1CCCC1)Nc1ccc2c(c1)OCCO2 ZINC000012500120 527062419 /nfs/dbraw/zinc/06/24/19/527062419.db2.gz ALYBGBFZPPWHMD-UHFFFAOYSA-N 0 0 434.561 5.470 40 0 IKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012178661 527077767 /nfs/dbraw/zinc/07/77/67/527077767.db2.gz MWUJTWWVKSYQES-UHFFFAOYSA-N 0 0 448.253 5.793 40 0 IKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cc(Cl)cc(Cl)c1 ZINC000012249517 527083123 /nfs/dbraw/zinc/08/31/23/527083123.db2.gz MBZKBFJRROJXFC-UHFFFAOYSA-N 0 0 444.727 5.340 40 0 IKABRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C3C4CC5CC(C4)CC3C5)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000012437163 527112857 /nfs/dbraw/zinc/11/28/57/527112857.db2.gz GNFWESXQFQMADC-GICHQNDMSA-N 0 0 440.370 5.668 40 0 IKABRN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc2c(Cl)cccc12 ZINC000017098324 527134302 /nfs/dbraw/zinc/13/43/02/527134302.db2.gz UEOVUSSHFRUDDU-UHFFFAOYSA-N 0 0 433.298 6.133 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccccc1Br ZINC000022053613 527164130 /nfs/dbraw/zinc/16/41/30/527164130.db2.gz QTFHOWSPXGMOHP-UHFFFAOYSA-N 0 0 436.231 5.859 40 0 IKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)[C@@H](c1ccccc1)C1CCCC1 ZINC000020509311 527172431 /nfs/dbraw/zinc/17/24/31/527172431.db2.gz PWYSTSSRABAUCN-DEOSSOPVSA-N 0 0 430.935 7.061 40 0 IKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)[C@H](c1ccccc1)C1CCCC1 ZINC000020509308 527173012 /nfs/dbraw/zinc/17/30/12/527173012.db2.gz PWYSTSSRABAUCN-XMMPIXPASA-N 0 0 430.935 7.061 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000022072534 527174263 /nfs/dbraw/zinc/17/42/63/527174263.db2.gz LYAYUKQDYYZDFC-UHFFFAOYSA-N 0 0 426.225 6.403 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)OCC[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000019075432 527179942 /nfs/dbraw/zinc/17/99/42/527179942.db2.gz PZUBFEBVSOVOPX-IBGZPJMESA-N 0 0 436.339 6.019 40 0 IKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000022072869 527240934 /nfs/dbraw/zinc/24/09/34/527240934.db2.gz SEJLZJOWLXUHEL-UHFFFAOYSA-N 0 0 441.331 5.995 40 0 IKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258327 527248812 /nfs/dbraw/zinc/24/88/12/527248812.db2.gz CKQPCSBVUGGHGA-UHFFFAOYSA-N 0 0 443.930 6.750 40 0 IKABRN O=C(Nc1ccc2[nH]c(-c3ccccc3NC(=O)C3CCCCC3)nc2c1)C1CCCCC1 ZINC000020508311 527262842 /nfs/dbraw/zinc/26/28/42/527262842.db2.gz UMQNXCXMKPSQAH-UHFFFAOYSA-N 0 0 444.579 6.268 40 0 IKABRN O=C(Cc1ccccc1)Sc1sc(=S)sc1SC(=O)Cc1ccccc1 ZINC000016478643 527283963 /nfs/dbraw/zinc/28/39/63/527283963.db2.gz PEFOASUUMMIBHN-UHFFFAOYSA-N 0 0 434.654 6.262 40 0 IKABRN Cc1ncc(NC(=O)c2ccccc2C(F)(F)F)n1-c1nc(-c2cccs2)cs1 ZINC000035682736 527301339 /nfs/dbraw/zinc/30/13/39/527301339.db2.gz RRDBLCKJOZFNBH-UHFFFAOYSA-N 0 0 434.468 5.637 40 0 IKABRN O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 ZINC000022072593 527325206 /nfs/dbraw/zinc/32/52/06/527325206.db2.gz YHAVMVRDTANOJU-UHFFFAOYSA-N 0 0 436.231 5.859 40 0 IKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccccc1Br ZINC000022053482 527332448 /nfs/dbraw/zinc/33/24/48/527332448.db2.gz NMMIFPLSNLKDGE-UHFFFAOYSA-N 0 0 436.231 5.859 40 0 IKABRN Cc1ncccc1C(=O)N1CCCC[C@@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 ZINC000012230048 527353969 /nfs/dbraw/zinc/35/39/69/527353969.db2.gz SMMOLWHMFAWXLA-QGZVFWFLSA-N 0 0 445.489 5.116 40 0 IKABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000020454005 527386391 /nfs/dbraw/zinc/38/63/91/527386391.db2.gz RIASDCGUNLZMAQ-UHFFFAOYSA-N 0 0 427.573 5.711 40 0 IKABRN O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1ccc(F)c(Cl)c1 ZINC000016777982 527415461 /nfs/dbraw/zinc/41/54/61/527415461.db2.gz HDIGMEYPMYPAIY-UHFFFAOYSA-N 0 0 433.940 5.006 40 0 IKABRN O=c1[nH]c(-c2ccccc2)c(C(c2cccs2)c2sc(=O)[nH]c2-c2ccccc2)s1 ZINC000015022134 527435211 /nfs/dbraw/zinc/43/52/11/527435211.db2.gz JAMUIGHRWFQESE-UHFFFAOYSA-N 0 0 448.594 5.762 40 0 IKABRN O=c1[nH]c2c(n1Cc1ccc(F)cc1)S[C@@H]1[C@H]([C@@H]3CC[C@H]1C3)[C@H]2c1ccc(Cl)cc1 ZINC000035092853 527441201 /nfs/dbraw/zinc/44/12/01/527441201.db2.gz UCLWIBNAFORYLW-TYALPZDDSA-N 0 0 440.971 5.670 40 0 IKABRN O=c1[nH]c2ccccc2nc1CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000016492482 527446578 /nfs/dbraw/zinc/44/65/78/527446578.db2.gz HWLCXWZJDZTWBH-UHFFFAOYSA-N 0 0 430.920 5.479 40 0 IKABRN O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1cccc(C(F)(F)F)c1 ZINC000016525216 527465173 /nfs/dbraw/zinc/46/51/73/527465173.db2.gz GXHQSPWKQRQHDT-PKNBQFBNSA-N 0 0 436.389 5.304 40 0 IKABRN O=C(Nc1nc(SCc2ccc(F)cc2)ns1)Nc1ccccc1C(F)(F)F ZINC000035314240 527509861 /nfs/dbraw/zinc/50/98/61/527509861.db2.gz OWMGBDSROWUGLO-UHFFFAOYSA-N 0 0 428.436 5.632 40 0 IKABRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)C1 ZINC000012603371 527521658 /nfs/dbraw/zinc/52/16/58/527521658.db2.gz ZMTKSBOPIFVGLM-UYAOXDASSA-N 0 0 426.992 5.495 40 0 biogenic,in-vitro IKABRN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccc(Cl)c(Cl)c1 ZINC000022022898 527529945 /nfs/dbraw/zinc/52/99/45/527529945.db2.gz MIXJDAJFQLKLMV-UHFFFAOYSA-N 0 0 429.126 5.527 40 0 IKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc(-c4cccs4)c(C)s3)cc12 ZINC000012710503 527556495 /nfs/dbraw/zinc/55/64/95/527556495.db2.gz KUGLSYCZXSCXIP-UHFFFAOYSA-N 0 0 436.587 6.141 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000016525139 527608066 /nfs/dbraw/zinc/60/80/66/527608066.db2.gz MLSMQIBRTNZDSY-VGOFMYFVSA-N 0 0 432.936 5.410 40 0 IKABRN OCc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000034772914 527630310 /nfs/dbraw/zinc/63/03/10/527630310.db2.gz ZJADGFHDNISVJA-UHFFFAOYSA-N 0 0 440.946 5.590 40 0 IKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3cccc(Cl)c3)nc(NC3CCCC3)n2)c1 ZINC000329062970 527676138 /nfs/dbraw/zinc/67/61/38/527676138.db2.gz XBUVJWZVRXNIIE-UHFFFAOYSA-N 0 0 448.876 5.638 40 0 IKABRN CC(C)(C)c1cc(C(=S)N2CCN(c3ccccc3F)CC2)cc(C(C)(C)C)c1O ZINC000009187984 535105029 /nfs/dbraw/zinc/10/50/29/535105029.db2.gz NGNODMVBVUNRBT-UHFFFAOYSA-N 0 0 428.617 5.624 40 0 IKABRN COCCCNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013686799 536587528 /nfs/dbraw/zinc/58/75/28/536587528.db2.gz NUHGJZARSDWEST-UHFFFAOYSA-N 0 0 433.533 5.288 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5Cl)nc4c3)o2)cc1C ZINC000034687669 555506442 /nfs/dbraw/zinc/50/64/42/555506442.db2.gz ZRFBQPNRZNGLBB-UHFFFAOYSA-N 0 0 442.902 7.277 40 0 IKABRN CCCCCCc1cc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc2cc1O ZINC000009035665 555506980 /nfs/dbraw/zinc/50/69/80/555506980.db2.gz BHCKYZWVJIBVTJ-UHFFFAOYSA-N 0 0 434.319 6.181 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(I)cc3C)o2)cc1C ZINC000034718260 555507282 /nfs/dbraw/zinc/50/72/82/555507282.db2.gz YJTPPWQZTPYPNJ-UHFFFAOYSA-N 0 0 431.273 5.729 40 0 IKABRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000034706789 555507291 /nfs/dbraw/zinc/50/72/91/555507291.db2.gz LYXSVDRMMHZBCZ-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1 ZINC000009056992 555507755 /nfs/dbraw/zinc/50/77/55/555507755.db2.gz NECWNRVZMHXFLU-UHFFFAOYSA-N 0 0 440.852 7.135 40 0 IKABRN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1C ZINC000009059458 555508537 /nfs/dbraw/zinc/50/85/37/555508537.db2.gz TXXDRNPFIGKKPH-HNNXBMFYSA-N 0 0 431.483 5.899 40 0 IKABRN C[C@H]1O[C@H](n2c3ccccc3c3ccccc32)[C@H](C)O[C@H]1n1c2ccccc2c2ccccc21 ZINC000009245302 555524460 /nfs/dbraw/zinc/52/44/60/555524460.db2.gz FPILFFLXHSKNOF-UAKUBYGHSA-N 0 0 446.550 7.424 40 0 IKABRN Nc1c2cc3c(nc2sc1C(=O)Nc1c(F)cc(F)cc1Br)CCCC3 ZINC000000691540 555541656 /nfs/dbraw/zinc/54/16/56/555541656.db2.gz IUNAAXKOQFRGCP-UHFFFAOYSA-N 0 0 438.297 5.050 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1cccc2cc(O)ccc21 ZINC000034861937 555541689 /nfs/dbraw/zinc/54/16/89/555541689.db2.gz BXNZWQPODLIPCM-JLHYYAGUSA-N 0 0 448.931 5.985 40 0 IKABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000034930864 555567582 /nfs/dbraw/zinc/56/75/82/555567582.db2.gz VIRRCEJFBSMYQI-UHFFFAOYSA-N 0 0 436.002 5.074 40 0 IKABRN O=C(Nc1ccc(O)cc1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000865911 555573800 /nfs/dbraw/zinc/57/38/00/555573800.db2.gz NXWKUGIKCUDCHF-AAEUAGOBSA-N 0 0 442.850 5.216 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCc4ccccc4)o3)cc2)cc1 ZINC000000897040 555580256 /nfs/dbraw/zinc/58/02/56/555580256.db2.gz MXSNWMUEHRJJCX-UHFFFAOYSA-N 0 0 437.546 5.138 40 0 IKABRN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1-c1ccc(C)cc1 ZINC000000900778 555581112 /nfs/dbraw/zinc/58/11/12/555581112.db2.gz RWLFFLFVFPZHHB-SFHVURJKSA-N 0 0 444.560 5.371 40 0 IKABRN Cc1cc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c2ccccc2n1 ZINC000000918206 555584059 /nfs/dbraw/zinc/58/40/59/555584059.db2.gz PVEQVMJPGKWVMV-UHFFFAOYSA-N 0 0 437.381 5.117 40 0 IKABRN O=C(Nc1c(Cl)cccc1Cl)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000918252 555584089 /nfs/dbraw/zinc/58/40/89/555584089.db2.gz HJXMPPLXHXENQN-UHFFFAOYSA-N 0 0 441.196 5.567 40 0 IKABRN COc1ccc2nc(SCC(=O)N(C)c3nc(-c4ccccc4)cs3)c(C)cc2c1 ZINC000000933016 555585650 /nfs/dbraw/zinc/58/56/50/555585650.db2.gz HVFXDMADODQBRU-UHFFFAOYSA-N 0 0 435.574 5.430 40 0 IKABRN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000001084531 555626558 /nfs/dbraw/zinc/62/65/58/555626558.db2.gz RKALCTPGKDDNOF-UHFFFAOYSA-N 0 0 448.309 7.049 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000001262097 555688095 /nfs/dbraw/zinc/68/80/95/555688095.db2.gz INMWRGFTWVIYQD-BQYQJAHWSA-N 0 0 447.343 5.968 40 0 IKABRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(C)cc1C ZINC000001262718 555688100 /nfs/dbraw/zinc/68/81/00/555688100.db2.gz NMOBYOFJYIHCQQ-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000001262816 555688113 /nfs/dbraw/zinc/68/81/13/555688113.db2.gz NAFCCRFIHTVSAL-RUDMXATFSA-N 0 0 431.275 5.499 40 0 IKABRN COc1cc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)ccc1NC(=O)C(C)C ZINC000001264150 555688408 /nfs/dbraw/zinc/68/84/08/555688408.db2.gz BUQWMYLGGZAONJ-VMPITWQZSA-N 0 0 437.323 5.257 40 0 IKABRN Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)c1 ZINC000001328565 555690318 /nfs/dbraw/zinc/69/03/18/555690318.db2.gz RVPAVQZLCMQDEK-UHFFFAOYSA-N 0 0 449.967 5.330 40 0 IKABRN CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1ccc(Cl)cc1 ZINC000001341168 555691191 /nfs/dbraw/zinc/69/11/91/555691191.db2.gz CVPSGMIGRWFPJQ-UHFFFAOYSA-N 0 0 439.899 5.037 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000010128834 555691440 /nfs/dbraw/zinc/69/14/40/555691440.db2.gz MJMVVAVRYMFAEG-UHFFFAOYSA-N 0 0 440.282 5.784 40 0 IKABRN O=C(COC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000001433636 555696456 /nfs/dbraw/zinc/69/64/56/555696456.db2.gz BHKQWRWPMLHCRG-UHFFFAOYSA-N 0 0 428.271 5.285 40 0 IKABRN CCOC(=O)c1c(NC(=O)c2sc3cc(OC)ccc3c2Cl)sc2c1CCCC2 ZINC000001469879 555701070 /nfs/dbraw/zinc/70/10/70/555701070.db2.gz KJAABFHAZDFJDQ-UHFFFAOYSA-N 0 0 449.981 5.933 40 0 IKABRN O=C(c1cn(CCCCCF)c2ccccc12)c1ccccc1I ZINC000001550857 555702842 /nfs/dbraw/zinc/70/28/42/555702842.db2.gz LFFIIZFINPPEMC-UHFFFAOYSA-N 0 0 435.280 5.617 40 0 in-vitro IKABRN c1ccc(-c2nc(-c3ccccc3)n3nc4c(c3c2-c2ccccc2)CCCCCC4)cc1 ZINC000001557616 555702901 /nfs/dbraw/zinc/70/29/01/555702901.db2.gz KDPVUISIUUPFPR-UHFFFAOYSA-N 0 0 429.567 7.389 40 0 IKABRN O=S(=O)(c1ccccc1)[C@H](SC(=S)Sc1ccccc1)Sc1ccccc1 ZINC000001562787 555703099 /nfs/dbraw/zinc/70/30/99/555703099.db2.gz FVLCEMAJBZYOKD-FQEVSTJZSA-N 0 0 448.681 6.347 40 0 IKABRN O=C(Oc1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000001562190 555703189 /nfs/dbraw/zinc/70/31/89/555703189.db2.gz ITAUGYQZKIFSGL-UHFFFAOYSA-N 0 0 446.395 6.551 40 0 IKABRN O=C1OC(c2ccccc2)(c2ccccc2)C[C@H]1CC(O)(c1ccccc1)c1ccccc1 ZINC000001591093 555704953 /nfs/dbraw/zinc/70/49/53/555704953.db2.gz JDHZGQSYKDNIJE-HSZRJFAPSA-N 0 0 434.535 5.820 40 0 IKABRN O=c1cc(-c2ccccc2)oc2c1ccc(OCc1ccccc1)c2OCc1ccccc1 ZINC000001611397 555705700 /nfs/dbraw/zinc/70/57/00/555705700.db2.gz QCZXJMIIWVNNMN-UHFFFAOYSA-N 0 0 434.491 6.618 40 0 IKABRN COc1ccc2c(c1)c(-c1cc3ccccc3oc1=O)cn2C(=O)c1ccc(Cl)cc1 ZINC000001614269 555706070 /nfs/dbraw/zinc/70/60/70/555706070.db2.gz YDQNPSMRHAFUSF-UHFFFAOYSA-N 0 0 429.859 5.765 40 0 IKABRN O=C1c2ccccc2-c2ccc(NC3(Br)c4ccccc4-c4ccccc43)cc21 ZINC000001614577 555706104 /nfs/dbraw/zinc/70/61/04/555706104.db2.gz WRQYQFOLTSSEHN-UHFFFAOYSA-N 0 0 438.324 6.587 40 0 IKABRN COC(=O)N1CC[C@H](Sc2ccccc2)[C@@]2(CCSc3ccccc3)CCC=C12 ZINC000001623119 555706819 /nfs/dbraw/zinc/70/68/19/555706819.db2.gz QUCPPNXNVVBRLL-LADGPHEKSA-N 0 0 425.619 6.466 40 0 IKABRN COc1ccc2c3c(n(Cc4ccccc4)c(=O)c2c1)-c1cc(OC)c(OC)cc1[C@H]3C ZINC000001631701 555706974 /nfs/dbraw/zinc/70/69/74/555706974.db2.gz JDSKXNOKMRKBKV-MRXNPFEDSA-N 0 0 427.500 5.208 40 0 IKABRN CCCC[C@](O)(c1ccccc1)[C@](O)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000001635371 555707333 /nfs/dbraw/zinc/70/73/33/555707333.db2.gz HTVPDYDMQDWRDO-ZEQRLZLVSA-N 0 0 436.420 5.696 40 0 IKABRN CCCC[C@@](O)(c1ccccc1)[C@@](O)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000001635368 555707403 /nfs/dbraw/zinc/70/74/03/555707403.db2.gz HTVPDYDMQDWRDO-DNQXCXABSA-N 0 0 436.420 5.696 40 0 IKABRN Cc1ccc(NC(=O)CSc2nc(C)nc3c2sc(=S)n3-c2ccccc2)cc1 ZINC000001638191 555707563 /nfs/dbraw/zinc/70/75/63/555707563.db2.gz XMOZBELGYYTMOY-UHFFFAOYSA-N 0 0 438.603 5.559 40 0 IKABRN CC(C)S[C@H](OC(=O)COc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000001640289 555707669 /nfs/dbraw/zinc/70/76/69/555707669.db2.gz DAGGNEYBJKODSS-LBPRGKRZSA-N 0 0 426.576 5.753 40 0 IKABRN OC(C[C@@H](c1ccccc1)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1 ZINC000001646504 555708306 /nfs/dbraw/zinc/70/83/06/555708306.db2.gz IGTRPQBHALXQBU-SANMLTNESA-N 0 0 443.384 6.907 40 0 IKABRN CCN(CC)c1ccc(N[C@H](C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000001665283 555708596 /nfs/dbraw/zinc/70/85/96/555708596.db2.gz VJAFYJHWGYLCMM-QHCPKHFHSA-N 0 0 427.375 6.876 40 0 IKABRN O=C([C@H]1[C@@H](c2ccccc2)N1C1CCCCC1)[C@@H]1[C@H](c2ccccc2)N1C1CCCCC1 ZINC000001686762 555709637 /nfs/dbraw/zinc/70/96/37/555709637.db2.gz YKMHGWDVZGNAER-KESBQPQUSA-N 0 0 428.620 6.072 40 0 IKABRN O=C(OCCOC(=O)Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl ZINC000001698360 555709829 /nfs/dbraw/zinc/70/98/29/555709829.db2.gz NMEYYSZPHSHVGA-UHFFFAOYSA-N 0 0 440.062 6.031 40 0 IKABRN O=C(Nc1c(Br)cc2c(c1Br)Cc1ccccc1-2)C(F)(F)F ZINC000001705946 555710251 /nfs/dbraw/zinc/71/02/51/555710251.db2.gz FCLZLHOUSKGUIE-UHFFFAOYSA-N 0 0 435.037 5.284 40 0 IKABRN Cc1ccc([C@]2(c3ccccc3)C=C(c3ccccc3)N=C2c2nccc3ccccc32)cc1 ZINC000001705902 555710295 /nfs/dbraw/zinc/71/02/95/555710295.db2.gz CPIAORIJNHBYST-JGCGQSQUSA-N 0 0 436.558 7.373 40 0 IKABRN CCOC(=O)[C@H](CC(Nc1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001714238 555710579 /nfs/dbraw/zinc/71/05/79/555710579.db2.gz CGYFHJBIYNUOCE-MUUNZHRXSA-N 0 0 435.567 6.779 40 0 IKABRN Cc1cc(Cl)ccc1OCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001732276 555711206 /nfs/dbraw/zinc/71/12/06/555711206.db2.gz AFZUEPRXYHCXRD-UHFFFAOYSA-N 0 0 448.944 6.900 40 0 in-vitro IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)Oc1cccc(NC(=S)Nc2ccccc2)c1 ZINC000001739906 555711470 /nfs/dbraw/zinc/71/14/70/555711470.db2.gz PAXVVKJZZSPLOC-UHFFFAOYSA-N 0 0 432.332 6.413 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)OCCOc1cc(Cl)c(Cl)cc1Cl ZINC000001747409 555712074 /nfs/dbraw/zinc/71/20/74/555712074.db2.gz HBJDZVXQIFDKNO-UHFFFAOYSA-N 0 0 444.525 5.955 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c(C)c1 ZINC000001838376 555719741 /nfs/dbraw/zinc/71/97/41/555719741.db2.gz UFFWSOFSGBNZCF-UHFFFAOYSA-N 0 0 426.903 7.171 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c(C)c1 ZINC000001839059 555719759 /nfs/dbraw/zinc/71/97/59/555719759.db2.gz QRSCTJCWAWFGTL-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)c(C)c1 ZINC000001844510 555720073 /nfs/dbraw/zinc/72/00/73/555720073.db2.gz RPGPFWRLCIAFAG-UHFFFAOYSA-N 0 0 445.544 5.561 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 ZINC000001846355 555720084 /nfs/dbraw/zinc/72/00/84/555720084.db2.gz FGTUSQYCKGJNPY-QGZVFWFLSA-N 0 0 432.951 7.531 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 ZINC000001846358 555720091 /nfs/dbraw/zinc/72/00/91/555720091.db2.gz FGTUSQYCKGJNPY-KRWDZBQOSA-N 0 0 432.951 7.531 40 0 IKABRN C[C@@]1(O)c2ccccc2[C@@]2(O)[C@@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000035073629 555720568 /nfs/dbraw/zinc/72/05/68/555720568.db2.gz FDVCVRVOUODMNO-SGTOGCSPSA-N 0 0 448.562 5.181 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3Cl)oc2c1 ZINC000001854507 555721003 /nfs/dbraw/zinc/72/10/03/555721003.db2.gz JINVUSBZXKRPQR-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4Cl)nc3c2)c(C)c1 ZINC000001859840 555721213 /nfs/dbraw/zinc/72/12/13/555721213.db2.gz IYCAEMKBUJVBLT-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN CCOC(=O)c1c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)sc2c1CCC2 ZINC000001862717 555721512 /nfs/dbraw/zinc/72/15/12/555721512.db2.gz ICDUMSIXIISZST-BQYQJAHWSA-N 0 0 440.348 5.381 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(C)c4OC)c3)nc2c1 ZINC000001863883 555721530 /nfs/dbraw/zinc/72/15/30/555721530.db2.gz HLNUUPMWGHPFTJ-HNNXBMFYSA-N 0 0 448.950 7.231 40 0 IKABRN Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)c(C)c1 ZINC000001866176 555721948 /nfs/dbraw/zinc/72/19/48/555721948.db2.gz JSRCFBDUWAOIHR-UHFFFAOYSA-N 0 0 425.315 6.979 40 0 IKABRN COc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OCc1ccc(C)cc1 ZINC000035074822 555722300 /nfs/dbraw/zinc/72/23/00/555722300.db2.gz VLFDVZSEJQAKAF-UHFFFAOYSA-N 0 0 448.426 5.753 40 0 IKABRN COc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc(Cl)c1OCc1ccc(C)cc1 ZINC000035085240 555727147 /nfs/dbraw/zinc/72/71/47/555727147.db2.gz GRCGWJRARWDVES-UHFFFAOYSA-N 0 0 449.856 6.507 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Br)c(C)c3)o2)cc1C ZINC000035085425 555727178 /nfs/dbraw/zinc/72/71/78/555727178.db2.gz ZZZJRVAXIMVHDG-UHFFFAOYSA-N 0 0 443.366 5.761 40 0 IKABRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(Br)c1 ZINC000001986346 555727266 /nfs/dbraw/zinc/72/72/66/555727266.db2.gz CZLJWAMLFIHGDY-UHFFFAOYSA-N 0 0 430.323 5.607 40 0 IKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1cccc(Cl)c1 ZINC000002368793 555772924 /nfs/dbraw/zinc/77/29/24/555772924.db2.gz GZJPQYWRWFGZPP-UHFFFAOYSA-N 0 0 446.384 6.396 40 0 IKABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)o1 ZINC000035108403 555777692 /nfs/dbraw/zinc/77/76/92/555777692.db2.gz NRYPZHLXOUSMLZ-VCHYOVAHSA-N 0 0 443.864 5.216 40 0 IKABRN CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)c2cc3nnoc3c3ccccc32)cc1 ZINC000002557973 555787274 /nfs/dbraw/zinc/78/72/74/555787274.db2.gz FFCUREHGWOIZMD-UHFFFAOYSA-N 0 0 444.512 5.470 40 0 IKABRN CCCCC(=O)NC(=S)Nc1cc(-c2nc3cc([C@H](C)CC)ccc3o2)ccc1Cl ZINC000002593659 555789447 /nfs/dbraw/zinc/78/94/47/555789447.db2.gz KBPOBIKKNNQVDK-CQSZACIVSA-N 0 0 444.000 6.665 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 ZINC000002594277 555789498 /nfs/dbraw/zinc/78/94/98/555789498.db2.gz AEUFEIDVRCSVSE-KRWDZBQOSA-N 0 0 446.978 8.037 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)c1 ZINC000408544768 555792778 /nfs/dbraw/zinc/79/27/78/555792778.db2.gz JKWIACVTRMLNOO-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN O=C(Nc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000002684522 555798352 /nfs/dbraw/zinc/79/83/52/555798352.db2.gz BCIFSLXQDUALFS-UHFFFAOYSA-N 0 0 430.339 5.550 40 0 IKABRN CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000035124227 555807097 /nfs/dbraw/zinc/80/70/97/555807097.db2.gz GQQWJCZJLGALIT-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(Cl)cc1 ZINC000002798557 555823519 /nfs/dbraw/zinc/82/35/19/555823519.db2.gz FPUCYSMVTOHUAU-GFCCVEGCSA-N 0 0 437.874 5.935 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000002892032 555859981 /nfs/dbraw/zinc/85/99/81/555859981.db2.gz ZHPPBJWFEPMEGY-FYJGNVAPSA-N 0 0 445.446 5.097 40 0 IKABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)C2 ZINC000002999864 555877667 /nfs/dbraw/zinc/87/76/67/555877667.db2.gz UNFFTTLFOJCQPA-HOYKHHGWSA-N 0 0 445.390 6.287 40 0 IKABRN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)cc(C)c4)c3N2)cc1 ZINC000003012740 555879624 /nfs/dbraw/zinc/87/96/24/555879624.db2.gz PIIRWWPKKSDYLA-VQTJNVASSA-N 0 0 428.458 5.721 40 0 IKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(OC)cc3)c(Cl)c2)cc1 ZINC000408554422 555883234 /nfs/dbraw/zinc/88/32/34/555883234.db2.gz DWFLZHPHJHQFQY-UHFFFAOYSA-N 0 0 440.927 5.377 40 0 IKABRN COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1F ZINC000408555561 555889129 /nfs/dbraw/zinc/88/91/29/555889129.db2.gz HEWUGNLROJJZHM-UHFFFAOYSA-N 0 0 428.891 5.426 40 0 IKABRN COc1cc(C(=O)Nc2cccc(F)c2)cc(Br)c1OCc1ccccc1 ZINC000408554172 555891959 /nfs/dbraw/zinc/89/19/59/555891959.db2.gz CEBHVBJTNGKJGZ-UHFFFAOYSA-N 0 0 430.273 5.428 40 0 IKABRN O=C1CS[C@@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408555757 555892646 /nfs/dbraw/zinc/89/26/46/555892646.db2.gz IGKVOXAACWRLBC-QFIPXVFZSA-N 0 0 448.346 6.490 40 0 IKABRN Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1C ZINC000034783096 555895142 /nfs/dbraw/zinc/89/51/42/555895142.db2.gz DJOYRLBCLJOQFF-VJGNERBWSA-N 0 0 448.522 5.508 40 0 IKABRN CCCOc1ccc(Br)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408557458 555895640 /nfs/dbraw/zinc/89/56/40/555895640.db2.gz NQIADOPBUXPMSV-GOSISDBHSA-N 0 0 426.763 5.670 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000408557702 555895715 /nfs/dbraw/zinc/89/57/15/555895715.db2.gz OJCVUCKRXRQWJA-UHFFFAOYSA-N 0 0 434.989 5.280 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1F ZINC000408559275 555898647 /nfs/dbraw/zinc/89/86/47/555898647.db2.gz YXOQJAPCCFOUDC-UHFFFAOYSA-N 0 0 428.891 5.507 40 0 IKABRN COc1ccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1 ZINC000408559069 555898701 /nfs/dbraw/zinc/89/87/01/555898701.db2.gz XFNZBDGCMMJOPZ-UHFFFAOYSA-N 0 0 431.319 5.632 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408560144 555899790 /nfs/dbraw/zinc/89/97/90/555899790.db2.gz CDSYLABVCUPEKW-ATJXCDBQSA-N 0 0 449.801 5.956 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(Br)cc1 ZINC000408559999 555899840 /nfs/dbraw/zinc/89/98/40/555899840.db2.gz BMUZCQDHISXLSQ-ATJXCDBQSA-N 0 0 449.801 5.956 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1C ZINC000408560199 555900143 /nfs/dbraw/zinc/90/01/43/555900143.db2.gz DIUDLIGGFZHPLU-UHFFFAOYSA-N 0 0 430.577 5.161 40 0 IKABRN CCCCOc1ccc(C(=O)/N=c2\sc(CCC)c(-c3ccc(C)cc3)n2CC)cc1 ZINC000408560927 555902566 /nfs/dbraw/zinc/90/25/66/555902566.db2.gz FSGOFQDFQDPNEH-RQZHXJHFSA-N 0 0 436.621 6.417 40 0 IKABRN CCn1c(-c2ccc(Cl)cc2)c(C)sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408561190 555903212 /nfs/dbraw/zinc/90/32/12/555903212.db2.gz HBDDQXPTLAFQOS-SGEDCAFJSA-N 0 0 447.003 6.458 40 0 IKABRN CCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561382 555903589 /nfs/dbraw/zinc/90/35/89/555903589.db2.gz IOZUMQVITSIRHS-RWEWTDSWSA-N 0 0 429.029 6.096 40 0 IKABRN CCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561375 555903621 /nfs/dbraw/zinc/90/36/21/555903621.db2.gz IMNMKNGGJYQSGS-GFMRDNFCSA-N 0 0 439.795 6.500 40 0 IKABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000408561506 555903821 /nfs/dbraw/zinc/90/38/21/555903821.db2.gz IZTILMVXYMOZLM-UHFFFAOYSA-N 0 0 436.968 5.426 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(Br)cc1 ZINC000408561927 555904846 /nfs/dbraw/zinc/90/48/46/555904846.db2.gz LRLFKTPGYUIOAI-FLFQWRMESA-N 0 0 447.373 5.832 40 0 IKABRN CCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408562611 555906094 /nfs/dbraw/zinc/90/60/94/555906094.db2.gz QXEWFPKEHIGIQJ-ATJXCDBQSA-N 0 0 449.801 5.956 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F ZINC000408562865 555906444 /nfs/dbraw/zinc/90/64/44/555906444.db2.gz FXXRMZOKJPXSDP-HSZRJFAPSA-N 0 0 446.469 5.001 40 0 IKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC ZINC000408565803 555908220 /nfs/dbraw/zinc/90/82/20/555908220.db2.gz AQBGIHRTBOBXCQ-MHWRWJLKSA-N 0 0 433.504 5.937 40 0 IKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000408566593 555909715 /nfs/dbraw/zinc/90/97/15/555909715.db2.gz HVIOIZDIQRWNCE-UHFFFAOYSA-N 0 0 440.337 6.673 40 0 IKABRN CCOC(=O)c1c(N)n(-c2cc(Cl)c(Cl)cc2Cl)c2nc3ccccc3nc21 ZINC000003261075 555910699 /nfs/dbraw/zinc/91/06/99/555910699.db2.gz SLZLCPXSZPMXHI-UHFFFAOYSA-N 0 0 435.698 5.293 40 0 IKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 ZINC000035152923 555913509 /nfs/dbraw/zinc/91/35/09/555913509.db2.gz YTOFEEWESCFFQT-UHFFFAOYSA-N 0 0 431.319 5.632 40 0 IKABRN Fc1ccc(N2CCN(C(=S)c3cccc(OCc4ccc(Cl)cc4)c3)CC2)cc1 ZINC000408571266 555915001 /nfs/dbraw/zinc/91/50/01/555915001.db2.gz AUSSZAVDVIEORK-UHFFFAOYSA-N 0 0 440.971 5.556 40 0 IKABRN CCOc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000408571875 555915407 /nfs/dbraw/zinc/91/54/07/555915407.db2.gz CZVSSKIVZWZPRT-UHFFFAOYSA-N 0 0 425.981 6.091 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408572346 555915919 /nfs/dbraw/zinc/91/59/19/555915919.db2.gz GJDJZUQHJDQOPV-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408572317 555916018 /nfs/dbraw/zinc/91/60/18/555916018.db2.gz GCBRUGGQUCXZQP-MRXNPFEDSA-N 0 0 426.365 5.025 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)N1NC2=C(CCCCC2)[C@]1(O)C(F)(F)F ZINC000408563577 555916806 /nfs/dbraw/zinc/91/68/06/555916806.db2.gz OIVQUUNMACWVLR-UGKGYDQZSA-N 0 0 438.490 5.143 40 0 IKABRN CCc1ccc(CNC(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 ZINC000408572771 555917761 /nfs/dbraw/zinc/91/77/61/555917761.db2.gz ICKZHUODBVCEGO-UHFFFAOYSA-N 0 0 448.390 6.739 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(F)cc1 ZINC000408564563 555918006 /nfs/dbraw/zinc/91/80/06/555918006.db2.gz ZOXLXVMQDIQBDF-BZZOAKBMSA-N 0 0 428.529 5.086 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000408564659 555918104 /nfs/dbraw/zinc/91/81/04/555918104.db2.gz ZWVGHNCVGMJYSY-PTGBLXJZSA-N 0 0 433.935 6.476 40 0 IKABRN COc1ccc(CCNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408578261 555918672 /nfs/dbraw/zinc/91/86/72/555918672.db2.gz WYYSDWDXKGADCL-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN COc1ccc(CCNC(=S)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000408578852 555918877 /nfs/dbraw/zinc/91/88/77/555918877.db2.gz ZTUYKJAYTWGLSR-UHFFFAOYSA-N 0 0 441.980 5.444 40 0 IKABRN COc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000408578859 555918979 /nfs/dbraw/zinc/91/89/79/555918979.db2.gz ZXSNNLSEAUMYPL-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN Fc1ccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000408573847 555924277 /nfs/dbraw/zinc/92/42/77/555924277.db2.gz KYUHCEIJMDHRKP-UHFFFAOYSA-N 0 0 430.342 5.633 40 0 IKABRN COc1cccc(CNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)c1 ZINC000408573845 555924329 /nfs/dbraw/zinc/92/43/29/555924329.db2.gz KYJGWWPITCYFDK-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000408574534 555925145 /nfs/dbraw/zinc/92/51/45/555925145.db2.gz RSWFOHVNAIECAS-VQHVLOKHSA-N 0 0 448.391 5.004 40 0 IKABRN Cc1ccc2nsnc2c1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000408574591 555925189 /nfs/dbraw/zinc/92/51/89/555925189.db2.gz SJPAKYHNDYURDZ-UHFFFAOYSA-N 0 0 430.744 5.594 40 0 IKABRN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)n2)cc1OC ZINC000408574579 555925230 /nfs/dbraw/zinc/92/52/30/555925230.db2.gz SEIADGNWEXFHLI-JLHYYAGUSA-N 0 0 432.501 5.739 40 0 IKABRN COc1ccc(CCNC(=S)c2cccc(OC)c2OCc2ccccc2Cl)cc1 ZINC000408574351 555925253 /nfs/dbraw/zinc/92/52/53/555925253.db2.gz LYMRPKPFMASNCS-UHFFFAOYSA-N 0 0 441.980 5.444 40 0 IKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408575174 555925683 /nfs/dbraw/zinc/92/56/83/555925683.db2.gz KAMSPCAUROBYRI-UHFFFAOYSA-N 0 0 445.971 7.677 40 0 IKABRN CCN1CCN(C(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)CC1 ZINC000408576755 555927323 /nfs/dbraw/zinc/92/73/23/555927323.db2.gz QXZAGYYBAYTWIF-UHFFFAOYSA-N 0 0 427.372 5.025 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408576750 555927350 /nfs/dbraw/zinc/92/73/50/555927350.db2.gz QXBONMSEIULKBW-UHFFFAOYSA-N 0 0 441.980 5.792 40 0 IKABRN COc1cccc(C(=S)NCCc2ccccc2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408577550 555928535 /nfs/dbraw/zinc/92/85/35/555928535.db2.gz TTXOSHKPLRSFQI-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN CCOc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408587605 555937964 /nfs/dbraw/zinc/93/79/64/555937964.db2.gz SIXXLVQQYULYFR-UHFFFAOYSA-N 0 0 426.310 5.679 40 0 IKABRN COc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000003833973 555946974 /nfs/dbraw/zinc/94/69/74/555946974.db2.gz PRKGLTOOEULMFS-UHFFFAOYSA-N 0 0 433.339 6.129 40 0 IKABRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=S)Nc1ccccc1)[C@@H]2NC(=S)Nc1ccccc1 ZINC000003845973 555947970 /nfs/dbraw/zinc/94/79/70/555947970.db2.gz QGKBSHAUAIEERO-FIXDAVPBSA-N 0 0 438.666 5.153 40 0 IKABRN CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=S)Nc1ccccc1)[C@@H]2NC(=S)Nc1ccccc1 ZINC000003845972 555948004 /nfs/dbraw/zinc/94/80/04/555948004.db2.gz QGKBSHAUAIEERO-UECWXEIQSA-N 0 0 438.666 5.153 40 0 IKABRN C(=C/c1ccccc1OCCCCOc1ccccc1/C=C/c1ccccc1)\c1ccccc1 ZINC000003847094 555948415 /nfs/dbraw/zinc/94/84/15/555948415.db2.gz XFLWYCSVIRUPER-MBALSZOMSA-N 0 0 446.590 8.265 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C=C[C@H](C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000003846385 555948472 /nfs/dbraw/zinc/94/84/72/555948472.db2.gz GNVGQELMUVQTKO-DQJYTKEYSA-N 0 0 446.672 6.577 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1CCC(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000003846391 555948491 /nfs/dbraw/zinc/94/84/91/555948491.db2.gz KRLZDCUGJCHXMY-DSEDTWFCSA-N 0 0 448.688 6.801 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CCC(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)=CC1 ZINC000003846375 555948501 /nfs/dbraw/zinc/94/85/01/555948501.db2.gz GSMGNZCKZIUPCV-YGWWIXQMSA-N 0 0 444.656 6.641 40 0 IKABRN CCCC[C@H](CC)COc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000003848704 555948750 /nfs/dbraw/zinc/94/87/50/555948750.db2.gz XRTXNQDSOJASKD-INIZCTEOSA-N 0 0 429.358 6.761 40 0 IKABRN Clc1ccc(/C=C(\Oc2ccc(Cl)cc2Cl)c2nc3ccccc3s2)cc1 ZINC000003849562 555949048 /nfs/dbraw/zinc/94/90/48/555949048.db2.gz CCWVBZRGSRTTHU-ODLFYWEKSA-N 0 0 432.759 7.834 40 0 IKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1C(=O)c2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000003851768 555949160 /nfs/dbraw/zinc/94/91/60/555949160.db2.gz YQABJZDZFGKJGZ-DRVJTKKISA-N 0 0 425.956 6.483 40 0 IKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)N1C(=O)c2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000003851767 555949192 /nfs/dbraw/zinc/94/91/92/555949192.db2.gz YQABJZDZFGKJGZ-BKMALILDSA-N 0 0 425.956 6.483 40 0 IKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)N1C(=O)c2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000003851769 555949234 /nfs/dbraw/zinc/94/92/34/555949234.db2.gz YQABJZDZFGKJGZ-FBRGVOPGSA-N 0 0 425.956 6.483 40 0 IKABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000408592848 555954290 /nfs/dbraw/zinc/95/42/90/555954290.db2.gz OWNGNPDCGOTKJV-UHFFFAOYSA-N 0 0 439.537 5.153 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)CSc3ccc(Br)cc3)ccc21 ZINC000408599916 555958393 /nfs/dbraw/zinc/95/83/93/555958393.db2.gz OGVJPUKVMHCVNU-UHFFFAOYSA-N 0 0 439.378 6.308 40 0 IKABRN CC1(C)CC[C@@]2(CO)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000004104781 555962479 /nfs/dbraw/zinc/96/24/79/555962479.db2.gz PSZDOEIIIJFCFE-IDFRULMQSA-N 0 0 442.728 7.141 40 0 IKABRN CC1(C)CC[C@@]2(CO)CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000004104783 555962618 /nfs/dbraw/zinc/96/26/18/555962618.db2.gz PSZDOEIIIJFCFE-NCMAIKCASA-N 0 0 442.728 7.141 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)c1 ZINC000408605686 555966150 /nfs/dbraw/zinc/96/61/50/555966150.db2.gz GLMXKODYQQCYTK-UHFFFAOYSA-N 0 0 449.765 6.585 40 0 IKABRN O=Cc1ccc(OC(=O)[C@H]2C[C@@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)cc1 ZINC000035185434 555969614 /nfs/dbraw/zinc/96/96/14/555969614.db2.gz WYZONEKYHPKPHC-FZQKWOKYSA-N 0 0 448.944 5.256 40 0 IKABRN Cc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2ccccc2Cl)cc1 ZINC000004185957 555974744 /nfs/dbraw/zinc/97/47/44/555974744.db2.gz YQYVOCXYNWMXFU-UHFFFAOYSA-N 0 0 427.907 6.467 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1Cl ZINC000408612341 555977393 /nfs/dbraw/zinc/97/73/93/555977393.db2.gz UZJPKOJZIGYTQA-UHFFFAOYSA-N 0 0 440.908 5.448 40 0 IKABRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408609971 555980050 /nfs/dbraw/zinc/98/00/50/555980050.db2.gz PSRVKQZDDWUCKY-UHFFFAOYSA-N 0 0 449.309 5.771 40 0 IKABRN Clc1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)cc1 ZINC000408610572 555980185 /nfs/dbraw/zinc/98/01/85/555980185.db2.gz QGJBWFYJUPARNY-UHFFFAOYSA-N 0 0 427.158 7.491 40 0 IKABRN COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000408610695 555980756 /nfs/dbraw/zinc/98/07/56/555980756.db2.gz RLUBIQXJTMJIOT-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000408618130 555981460 /nfs/dbraw/zinc/98/14/60/555981460.db2.gz DOEAPFMXKQXPNV-UHFFFAOYSA-N 0 0 430.507 5.695 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc(Cl)c1OCC ZINC000408617132 555988031 /nfs/dbraw/zinc/98/80/31/555988031.db2.gz BTNOLBVQVFBVSL-UHFFFAOYSA-N 0 0 425.912 6.490 40 0 IKABRN CSc1nc2sc(C(=O)Nc3ccc(C)c(Cl)c3)cc2c(N2CCCCC2)n1 ZINC000408622562 555991394 /nfs/dbraw/zinc/99/13/94/555991394.db2.gz REOPRVUVSMZKNF-UHFFFAOYSA-N 0 0 433.002 5.618 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1cc2c(nc(SC)nc2N2CCCC2)s1 ZINC000408624175 555993311 /nfs/dbraw/zinc/99/33/11/555993311.db2.gz UVDYUGQGCNBMIA-UHFFFAOYSA-N 0 0 426.611 5.391 40 0 IKABRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000035196438 555993382 /nfs/dbraw/zinc/99/33/82/555993382.db2.gz CJAFSGJMWMUDMF-CEWHCAETSA-N 0 0 439.461 5.388 40 0 IKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OC ZINC000408624998 555995322 /nfs/dbraw/zinc/99/53/22/555995322.db2.gz WKWMDMFXDKKPHC-UHFFFAOYSA-N 0 0 427.884 5.801 40 0 IKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OC ZINC000408625108 555995567 /nfs/dbraw/zinc/99/55/67/555995567.db2.gz WVBALWUHEGNNOD-UHFFFAOYSA-N 0 0 425.912 6.490 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2)ccc1C ZINC000408630421 556001466 /nfs/dbraw/zinc/00/14/66/556001466.db2.gz UGXMXFOHYYEBKL-UHFFFAOYSA-N 0 0 438.549 5.144 40 0 IKABRN OC(Cl)(Cl)c1ccc2c(c1)Cc1cc(C(O)(c3ccccc3)c3ccccc3)ccc1-2 ZINC000004683420 556006351 /nfs/dbraw/zinc/00/63/51/556006351.db2.gz KJYDPGKMVHPGIS-UHFFFAOYSA-N 0 0 447.361 6.122 40 0 IKABRN C[C@@H]1C(=O)CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004722963 556008241 /nfs/dbraw/zinc/00/82/41/556008241.db2.gz OFMXGFHWLZPCFL-UVZSVALRSA-N 0 0 426.729 8.457 40 0 IKABRN CCCCOCCOC(=O)C[C@H](/C=C(/C)CC(C)(C)C)C(=O)OCCOCCCC ZINC000004803116 556012513 /nfs/dbraw/zinc/01/25/13/556012513.db2.gz FBEWUFDEEMXRNN-ZOECDYFQSA-N 0 0 428.610 5.095 40 0 IKABRN CSc1nc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c(N2CCCC2)n1 ZINC000408635953 556014613 /nfs/dbraw/zinc/01/46/13/556014613.db2.gz KIKIKDCXGWZUGT-UHFFFAOYSA-N 0 0 438.500 5.285 40 0 IKABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4cc(C)ccc4C(C)C)cc3)CC2=O)c1 ZINC000408638079 556015504 /nfs/dbraw/zinc/01/55/04/556015504.db2.gz BBLABOKRCXASLY-OAQYLSRUSA-N 0 0 442.559 6.211 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c(C)c1 ZINC000408638631 556015786 /nfs/dbraw/zinc/01/57/86/556015786.db2.gz CVCBKYVKUJHLLV-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 ZINC000408639681 556016348 /nfs/dbraw/zinc/01/63/48/556016348.db2.gz GVCWQBBKIXXNEP-FQEVSTJZSA-N 0 0 444.531 5.486 40 0 IKABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000408640280 556016641 /nfs/dbraw/zinc/01/66/41/556016641.db2.gz IIBGDILVURWCER-LLVKDONJSA-N 0 0 431.241 5.312 40 0 IKABRN Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408640155 556016669 /nfs/dbraw/zinc/01/66/69/556016669.db2.gz HMZBDGRMMKIFPU-LLVKDONJSA-N 0 0 442.140 5.056 40 0 IKABRN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 ZINC000408641034 556016874 /nfs/dbraw/zinc/01/68/74/556016874.db2.gz JGNGYCVZSQOWED-IBGZPJMESA-N 0 0 430.504 5.096 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)c1C ZINC000408642208 556018270 /nfs/dbraw/zinc/01/82/70/556018270.db2.gz MDICWFBUQYMXQQ-GOSISDBHSA-N 0 0 434.923 5.741 40 0 IKABRN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O ZINC000408645648 556021783 /nfs/dbraw/zinc/02/17/83/556021783.db2.gz SONGSIOSDSHIRF-OAQYLSRUSA-N 0 0 428.532 5.650 40 0 IKABRN CCOC1=CC(=O)O[C@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](OC(C)=O)[C@@]5(C)CC[C@@H]43)C2)C1 ZINC000004933940 556021785 /nfs/dbraw/zinc/02/17/85/556021785.db2.gz KBYQUXJAZCAIJT-YOYYETCOSA-N 0 0 444.612 5.567 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1Cl ZINC000408646153 556022095 /nfs/dbraw/zinc/02/20/95/556022095.db2.gz TVFVJVHBECGRON-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1 ZINC000408647306 556022792 /nfs/dbraw/zinc/02/27/92/556022792.db2.gz WVQAMCVUBAVCCL-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN CC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000408644139 556024234 /nfs/dbraw/zinc/02/42/34/556024234.db2.gz DUOSCLFOGCATTE-UHFFFAOYSA-N 0 0 438.483 5.208 40 0 IKABRN Cc1c(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1Br ZINC000408644334 556024520 /nfs/dbraw/zinc/02/45/20/556024520.db2.gz SOXODGWNFCCBSY-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2)C12c1ccccc1C(=O)c1ccccc12 ZINC000004973029 556024796 /nfs/dbraw/zinc/02/47/96/556024796.db2.gz CCPHOZPNGOCXHR-UIOOFZCWSA-N 0 0 428.487 5.529 40 0 IKABRN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000004994640 556026419 /nfs/dbraw/zinc/02/64/19/556026419.db2.gz OCUUJCYZEABEMN-BWAGFHJFSA-N 0 0 438.634 5.507 40 0 IKABRN CC1(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2c[nH]cc2C(C)(C)c2ccc1[nH]2 ZINC000004995699 556026466 /nfs/dbraw/zinc/02/64/66/556026466.db2.gz LSUVAIIQXHNVQV-UHFFFAOYSA-N 0 0 428.624 6.616 40 0 IKABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O ZINC000408647798 556028222 /nfs/dbraw/zinc/02/82/22/556028222.db2.gz XLYDVJFLQFVHNY-HXUWFJFHSA-N 0 0 444.531 5.486 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000408648293 556028904 /nfs/dbraw/zinc/02/89/04/556028904.db2.gz XAKLIZKZQBJSGG-UHFFFAOYSA-N 0 0 430.891 5.659 40 0 IKABRN Cc1cc(C)cc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000408648558 556029366 /nfs/dbraw/zinc/02/93/66/556029366.db2.gz ZFGCNBUVTAKAFB-UHFFFAOYSA-N 0 0 428.463 5.453 40 0 IKABRN COC(=O)C1=C(NC(=O)Nc2ccc(Cl)cc2)OC(C)(C)[C@H]1c1ccc(Cl)cc1 ZINC000005052944 556030209 /nfs/dbraw/zinc/03/02/09/556030209.db2.gz GMTCMRFUDRODBO-KRWDZBQOSA-N 0 0 435.307 5.092 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)O[C@@H]1[C@@H]3CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]12 ZINC000005104371 556032368 /nfs/dbraw/zinc/03/23/68/556032368.db2.gz RWMSDNFAXBDHCY-QSKGFVLDSA-N 0 0 446.672 6.555 40 0 IKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)[C@@H]2O ZINC000118916057 556035742 /nfs/dbraw/zinc/03/57/42/556035742.db2.gz WHQRSVDLJNJCEK-WDPNXBKASA-N 0 0 449.462 6.751 40 0 IKABRN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccccc2)C[C@H](C(C)(C)C)CC3)cc1 ZINC000035240008 556035802 /nfs/dbraw/zinc/03/58/02/556035802.db2.gz ZKFLQMVAVHGGFP-LJQANCHMSA-N 0 0 446.616 6.712 40 0 IKABRN O=C1c2cccc3c(Br)ccc(c32)C(=O)N1C1CCCCCCCCCCC1 ZINC000005328294 556045660 /nfs/dbraw/zinc/04/56/60/556045660.db2.gz VJNQEQTUAGEIIM-UHFFFAOYSA-N 0 0 442.397 6.872 40 0 IKABRN CC(C)C[C@H](C)OC(=O)/C=C(/CC(=O)O[C@@H](C)CC(C)C)C(=O)O[C@@H](C)CC(C)C ZINC000005454611 556054896 /nfs/dbraw/zinc/05/48/96/556054896.db2.gz PKLUSOSWJPKLAL-CBYVTJRVSA-N 0 0 426.594 5.236 40 0 IKABRN CC(C)C[C@@H](C)OC(=O)C/C(=C/C(=O)O[C@@H](C)CC(C)C)C(=O)O[C@@H](C)CC(C)C ZINC000005454286 556054930 /nfs/dbraw/zinc/05/49/30/556054930.db2.gz PKLUSOSWJPKLAL-CWLZQDQJSA-N 0 0 426.594 5.236 40 0 IKABRN c1ccc(-c2[nH]nc(-c3n[nH]c(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1 ZINC000005479262 556055932 /nfs/dbraw/zinc/05/59/32/556055932.db2.gz LSUKZIRRGHNFGW-UHFFFAOYSA-N 0 0 438.534 7.468 40 0 IKABRN Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000408670311 556057553 /nfs/dbraw/zinc/05/75/53/556057553.db2.gz IMLUOSCKAVNIGF-UHFFFAOYSA-N 0 0 439.298 5.663 40 0 IKABRN CC(C)Oc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 ZINC000035264336 556058781 /nfs/dbraw/zinc/05/87/81/556058781.db2.gz ORAAKVFPWXELSA-UHFFFAOYSA-N 0 0 434.879 5.180 40 0 IKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 ZINC000035270339 556059043 /nfs/dbraw/zinc/05/90/43/556059043.db2.gz BENKGOOYDVLJOX-HNNXBMFYSA-N 0 0 448.906 5.570 40 0 IKABRN CCc1ccccc1NC(=O)c1cccc(N2C(=O)c3ccc(Br)cc3C2=O)c1 ZINC000408672204 556060310 /nfs/dbraw/zinc/06/03/10/556060310.db2.gz MIJHSSZRYWSRNR-UHFFFAOYSA-N 0 0 449.304 5.064 40 0 IKABRN Cc1ccc(NC(=O)c2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1C ZINC000408673234 556062654 /nfs/dbraw/zinc/06/26/54/556062654.db2.gz QMNWNKXFXBYZQO-UHFFFAOYSA-N 0 0 439.298 5.663 40 0 IKABRN CC1(C)CC[C@@]2(C)CC=C3[C@](C)(CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]34C)[C@@H]2C1 ZINC000005699596 556062889 /nfs/dbraw/zinc/06/28/89/556062889.db2.gz GGGUGZHBAOMSFJ-LLMDLCADSA-N 0 0 426.729 8.169 40 0 in-man IKABRN CCCCCC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)CC(=O)[C@H](CCCC)[C@@H]1c1ccc(C)cc1 ZINC000005707147 556063659 /nfs/dbraw/zinc/06/36/59/556063659.db2.gz WRFIWFQYNGCGCJ-ZDIDPRFDSA-N 0 0 432.648 7.716 40 0 IKABRN C[C@@H](CC[C@@H]1CCCO1)OC(=O)CCCCCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 ZINC000005743040 556064446 /nfs/dbraw/zinc/06/44/46/556064446.db2.gz NCHOJZHFMFWTMB-MLCQCVOFSA-N 0 0 440.621 5.499 40 0 IKABRN C[C@H](CC[C@@H]1CCCO1)OC(=O)CCCCCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 ZINC000005743042 556064485 /nfs/dbraw/zinc/06/44/85/556064485.db2.gz NCHOJZHFMFWTMB-BJESRGMDSA-N 0 0 440.621 5.499 40 0 IKABRN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1CN1[C@H](CCO)CO[C@@H]1c1ccccc1 ZINC000005759392 556064867 /nfs/dbraw/zinc/06/48/67/556064867.db2.gz KZASEJMAAFUHML-AWUHDJBCSA-N 0 0 425.572 5.312 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Cl)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408675882 556068348 /nfs/dbraw/zinc/06/83/48/556068348.db2.gz LNTQJZQNDNYUSP-UHFFFAOYSA-N 0 0 427.262 5.874 40 0 IKABRN Brc1cccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 ZINC000005940247 556069773 /nfs/dbraw/zinc/06/97/73/556069773.db2.gz KIGWZRWQNFEJHP-YMHSLHOESA-N 0 0 437.381 6.111 40 0 IKABRN COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1Br ZINC000005941124 556069974 /nfs/dbraw/zinc/06/99/74/556069974.db2.gz ROJNEJVNCPRFPQ-UHFFFAOYSA-N 0 0 439.334 5.987 40 0 IKABRN O=C(c1cccc(Cl)c1)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000408677759 556071800 /nfs/dbraw/zinc/07/18/00/556071800.db2.gz FCTZJQKOXOVHTM-HHHXNRCGSA-N 0 0 436.942 7.253 40 0 IKABRN CCCC[C@@](CC)(CCCNC(=O)c1cccc(F)c1)CNC(=O)c1cccc(F)c1 ZINC000006051295 556073115 /nfs/dbraw/zinc/07/31/15/556073115.db2.gz UGIRJADUVHWKDW-VWLOTQADSA-N 0 0 430.539 5.491 40 0 IKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)N[C@H](c1ccncc1)O2 ZINC000006177405 556079491 /nfs/dbraw/zinc/07/94/91/556079491.db2.gz GQBPSVFAWAYQDU-GTJPDFRWSA-N 0 0 430.291 5.298 40 0 IKABRN COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000035351033 556080657 /nfs/dbraw/zinc/08/06/57/556080657.db2.gz VSJVFIFGZKEPPS-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N(C)C3CCCCC3)c2c1 ZINC000408682727 556082904 /nfs/dbraw/zinc/08/29/04/556082904.db2.gz LJEHTOCYFGKRNH-UHFFFAOYSA-N 0 0 437.381 6.377 40 0 IKABRN Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)c4ccc(F)cc4)sc3n2)cc1 ZINC000006246452 556082931 /nfs/dbraw/zinc/08/29/31/556082931.db2.gz KOUITNAVQTYHHJ-UHFFFAOYSA-N 0 0 438.527 6.891 40 0 IKABRN C[C@@H]1CN(C(=S)Nc2ccc(Cl)cc2)CCN1C(=S)Nc1ccc(Cl)cc1 ZINC000006298966 556084581 /nfs/dbraw/zinc/08/45/81/556084581.db2.gz FOHGQFNISHKTEX-CYBMUJFWSA-N 0 0 439.437 5.093 40 0 IKABRN O=C(Nc1cc(Cl)c(NC(=O)NC2CCCCC2)cc1Cl)NC1CCCCC1 ZINC000006320758 556084857 /nfs/dbraw/zinc/08/48/57/556084857.db2.gz SHINYSWLIRNZDW-UHFFFAOYSA-N 0 0 427.376 5.902 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 ZINC000035363139 556084899 /nfs/dbraw/zinc/08/48/99/556084899.db2.gz QOVALRZOUUJWTN-UHFFFAOYSA-N 0 0 449.765 6.585 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000035377469 556086351 /nfs/dbraw/zinc/08/63/51/556086351.db2.gz GPEZXDNWMKDLOK-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN CCCC[C@H](CC)COP(=O)(N(CCCC)CCCC)N(CCCC)CCCC ZINC000006379788 556086367 /nfs/dbraw/zinc/08/63/67/556086367.db2.gz QKJHLSJLPBHROT-DEOSSOPVSA-N 0 0 432.674 8.132 40 0 IKABRN CCOc1c(Cl)cc(C(=O)Nc2cccc3ccccc32)cc1OCc1ccccc1 ZINC000035376921 556088938 /nfs/dbraw/zinc/08/89/38/556088938.db2.gz QRLBIGACHHHGAG-UHFFFAOYSA-N 0 0 431.919 6.723 40 0 IKABRN CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 ZINC000006569759 556095313 /nfs/dbraw/zinc/09/53/13/556095313.db2.gz LLOWRFODLCFNBW-UHFFFAOYSA-N 0 0 425.598 5.373 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(Cl)c2)c(C)c1 ZINC000408694767 556096840 /nfs/dbraw/zinc/09/68/40/556096840.db2.gz MJZSVHRFWUWCSM-UHFFFAOYSA-N 0 0 437.330 6.110 40 0 IKABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)cc1 ZINC000408695283 556097479 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ZINC000013708400 556283646 /nfs/dbraw/zinc/28/36/46/556283646.db2.gz LPGJDFIRESUVFE-HXUWFJFHSA-N 0 0 427.569 6.847 40 0 IKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013709212 556283894 /nfs/dbraw/zinc/28/38/94/556283894.db2.gz MJVUZXMWSNNIFM-HFESIUDZSA-N 0 0 425.572 6.714 40 0 IKABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000013713369 556285296 /nfs/dbraw/zinc/28/52/96/556285296.db2.gz LIEWMCGEEMYSGL-VABKMULXSA-N 0 0 432.907 5.008 40 0 IKABRN CC[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714855 556286782 /nfs/dbraw/zinc/28/67/82/556286782.db2.gz KVYGGBURMSGEET-JOCHJYFZSA-N 0 0 442.968 5.190 40 0 IKABRN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013717374 556288017 /nfs/dbraw/zinc/28/80/17/556288017.db2.gz RAIZEJBOOOQRDJ-UHFFFAOYSA-N 0 0 434.879 5.147 40 0 IKABRN O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1ccc(Cl)cc1Cl ZINC000013716997 556288033 /nfs/dbraw/zinc/28/80/33/556288033.db2.gz 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Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000010328189 556331823 /nfs/dbraw/zinc/33/18/23/556331823.db2.gz BBXDLLAAEULUGF-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000010330508 556332218 /nfs/dbraw/zinc/33/22/18/556332218.db2.gz XILQQAGEVJRTHR-UHFFFAOYSA-N 0 0 442.625 5.120 40 0 IKABRN CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010333851 556332554 /nfs/dbraw/zinc/33/25/54/556332554.db2.gz SJUNIBXNZFJLFC-UHFFFAOYSA-N 0 0 436.577 5.699 40 0 IKABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000010337626 556333189 /nfs/dbraw/zinc/33/31/89/556333189.db2.gz FMQMYBLLFAJQRF-UHFFFAOYSA-N 0 0 448.519 5.197 40 0 IKABRN Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000010360076 556333391 /nfs/dbraw/zinc/33/33/91/556333391.db2.gz FKQGQAJAFLIJAK-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN O=C(CSCC(=O)N1c2ccccc2CCc2ccccc21)Nc1ccc(Cl)cc1 ZINC000010381873 556333872 /nfs/dbraw/zinc/33/38/72/556333872.db2.gz OBAWDJPUFMGCLP-UHFFFAOYSA-N 0 0 436.964 5.475 40 0 IKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2=O)c1 ZINC000214610715 556336201 /nfs/dbraw/zinc/33/62/01/556336201.db2.gz YLEARNTTXODMSJ-UDWIEESQSA-N 0 0 443.446 6.510 40 0 IKABRN Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4cccc(C)c4)C3=O)cc2)c1 ZINC000214629766 556337829 /nfs/dbraw/zinc/33/78/29/556337829.db2.gz BSKKJLIBBXLXNK-BUVRLJJBSA-N 0 0 429.541 6.119 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1O[C@@H](C)CC ZINC000214634750 556338200 /nfs/dbraw/zinc/33/82/00/556338200.db2.gz MOPJMKAZXSQSBU-NIZGNDASSA-N 0 0 425.550 5.808 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nnc2-c2ccccc2)cc1 ZINC000011196698 556339823 /nfs/dbraw/zinc/33/98/23/556339823.db2.gz LPKORTBDKMWHEN-UHFFFAOYSA-N 0 0 436.487 5.252 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2)cc1 ZINC000011196692 556339964 /nfs/dbraw/zinc/33/99/64/556339964.db2.gz ISICGBXXSLHEBL-UHFFFAOYSA-N 0 0 428.561 5.590 40 0 IKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1OC ZINC000214749104 556340906 /nfs/dbraw/zinc/34/09/06/556340906.db2.gz QJMOUMWOLPKVAW-VCHYOVAHSA-N 0 0 438.332 5.637 40 0 IKABRN O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000013950751 556344271 /nfs/dbraw/zinc/34/42/71/556344271.db2.gz NPIVZXOEUHWMHR-UHFFFAOYSA-N 0 0 427.718 7.114 40 0 IKABRN Cc1oc(C2CC2)cc1C(=O)N(Cc1ccccc1)Cc1nc(C)ncc1-c1ccccn1 ZINC000012089199 556401767 /nfs/dbraw/zinc/40/17/67/556401767.db2.gz VCGNOYBFLMLFRU-UHFFFAOYSA-N 0 0 438.531 5.468 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1 ZINC000014649523 556431173 /nfs/dbraw/zinc/43/11/73/556431173.db2.gz KGBFWNIOAFCICT-UHFFFAOYSA-N 0 0 431.157 6.071 40 0 IKABRN COc1c(Cl)c(Cl)ccc1S(=O)(=O)n1c2ccccc2nc1Cc1ccccc1 ZINC000027823175 556433710 /nfs/dbraw/zinc/43/37/10/556433710.db2.gz FFTAKILWNHMCOP-UHFFFAOYSA-N 0 0 447.343 5.180 40 0 IKABRN CCCCCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 ZINC000039427746 556434977 /nfs/dbraw/zinc/43/49/77/556434977.db2.gz KOOLQRGEXVQIEW-DEOSSOPVSA-N 0 0 445.567 5.392 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000014709904 556435157 /nfs/dbraw/zinc/43/51/57/556435157.db2.gz OGOOZNCXXLQEJV-UHFFFAOYSA-N 0 0 448.979 5.881 40 0 IKABRN O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000039768706 556437449 /nfs/dbraw/zinc/43/74/49/556437449.db2.gz DPQFNTAMMNNEFK-UHFFFAOYSA-N 0 0 434.908 5.363 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 ZINC000039752913 556438750 /nfs/dbraw/zinc/43/87/50/556438750.db2.gz CNSMLNRSDKXRBV-SDNWHVSQSA-N 0 0 444.878 5.294 40 0 IKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039755985 556439436 /nfs/dbraw/zinc/43/94/36/556439436.db2.gz XQASYYAKEHIDAL-UHFFFAOYSA-N 0 0 449.275 6.002 40 0 IKABRN CCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000014831769 556448968 /nfs/dbraw/zinc/44/89/68/556448968.db2.gz MWTPHCROCPSHRQ-UHFFFAOYSA-N 0 0 441.597 5.367 40 0 IKABRN O=C(CN(CCc1ccccc1)C(=O)c1ccccc1-c1ccccc1)NC1CCCCC1 ZINC000013084458 556455999 /nfs/dbraw/zinc/45/59/99/556455999.db2.gz NSKBIAGRQFPXGG-UHFFFAOYSA-N 0 0 440.587 5.487 40 0 IKABRN COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)CC1 ZINC000408864582 556457707 /nfs/dbraw/zinc/45/77/07/556457707.db2.gz YANGBUCXNMIAKU-UHFFFAOYSA-N 0 0 449.982 5.232 40 0 IKABRN COc1ccc(CSCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000408871303 556462264 /nfs/dbraw/zinc/46/22/64/556462264.db2.gz YIPHYGIKEAFIMW-UHFFFAOYSA-N 0 0 434.586 6.152 40 0 IKABRN COc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(C)cc4)nc3O2)c1 ZINC000015015850 556485085 /nfs/dbraw/zinc/48/50/85/556485085.db2.gz LQEOOURUNUGAQG-HSZRJFAPSA-N 0 0 442.544 5.651 40 0 IKABRN CSc1nnc2c(n1)O[C@H](c1c[nH]c3ccccc31)Nc1ccc(Br)cc1-2 ZINC000015015807 556485117 /nfs/dbraw/zinc/48/51/17/556485117.db2.gz ALXQMAXQLXSBFM-QGZVFWFLSA-N 0 0 440.326 5.007 40 0 IKABRN CCCCSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1-2 ZINC000015018374 556487146 /nfs/dbraw/zinc/48/71/46/556487146.db2.gz FRPCVZPVKMHOCH-GOSISDBHSA-N 0 0 433.364 6.241 40 0 IKABRN Cc1cc(C(=O)NCCCNC(=O)c2cc(C)oc2-c2ccccc2)c(-c2ccccc2)o1 ZINC000015022488 556488170 /nfs/dbraw/zinc/48/81/70/556488170.db2.gz ZRNVBPDEAHUIII-UHFFFAOYSA-N 0 0 442.515 5.373 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408901198 556488894 /nfs/dbraw/zinc/48/88/94/556488894.db2.gz BYXVYOKHSUEUCV-RNEAKCBISA-N 0 0 432.339 5.867 40 0 IKABRN COc1ccccc1N1CCN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 ZINC000408906510 556492247 /nfs/dbraw/zinc/49/22/47/556492247.db2.gz CDLFKIKQTJCYDC-ZBJSNUHESA-N 0 0 432.951 5.238 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(Cl)cc1 ZINC000408905875 556492951 /nfs/dbraw/zinc/49/29/51/556492951.db2.gz AJOFKSXNCWMKJC-UHFFFAOYSA-N 0 0 436.920 5.546 40 0 IKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408907759 556493303 /nfs/dbraw/zinc/49/33/03/556493303.db2.gz QUVYUQHPBWIUMQ-NCELDCMTSA-N 0 0 425.915 7.312 40 0 IKABRN COc1ccc(/C=C(/C(=O)NCCSCc2cccc(Cl)c2)c2ccccc2)cc1 ZINC000408909779 556496928 /nfs/dbraw/zinc/49/69/28/556496928.db2.gz IDHBQQSQBXMGHZ-JJIBRWJFSA-N 0 0 437.992 5.939 40 0 IKABRN O=C(NCCSCc1ccc(Cl)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408913280 556497681 /nfs/dbraw/zinc/49/76/81/556497681.db2.gz SMTPVOCBCLTBLJ-CJLVFECKSA-N 0 0 442.411 6.584 40 0 IKABRN c1cn(Cc2ccccc2)c(CSCCSCc2nccn2Cc2ccccc2)n1 ZINC000013212112 556498961 /nfs/dbraw/zinc/49/89/61/556498961.db2.gz ZWFVMNRESYMWKO-UHFFFAOYSA-N 0 0 434.634 5.343 40 0 IKABRN Cc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c(C)c1 ZINC000013226953 556499684 /nfs/dbraw/zinc/49/96/84/556499684.db2.gz TZXJDGYNUCFJFW-QFIPXVFZSA-N 0 0 444.579 5.144 40 0 IKABRN Clc1ccc(-c2nnc3sc(-c4cc(-c5ccccc5)nc5ccccc54)nn32)cc1 ZINC000015083083 556501630 /nfs/dbraw/zinc/50/16/30/556501630.db2.gz CJKWSLDUQILCQM-UHFFFAOYSA-N 0 0 439.931 6.388 40 0 IKABRN Clc1ccc(C2=Nn3c(nnc3-c3ccc4c(c3)O[C@H](c3ccccc3)C4)SC2)cc1 ZINC000015083113 556501705 /nfs/dbraw/zinc/50/17/05/556501705.db2.gz WYPSVJZMLKIFRQ-NRFANRHFSA-N 0 0 444.947 5.633 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(N4CCCCC4)cc3)c2)cc1 ZINC000030751014 556502952 /nfs/dbraw/zinc/50/29/52/556502952.db2.gz TVKMGFLUUKSLKU-UHFFFAOYSA-N 0 0 440.587 6.458 40 0 IKABRN COc1cccc2cc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)oc21 ZINC000030751677 556503235 /nfs/dbraw/zinc/50/32/35/556503235.db2.gz RMXPEEHRANOJGF-UHFFFAOYSA-N 0 0 442.515 6.244 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000030753286 556503603 /nfs/dbraw/zinc/50/36/03/556503603.db2.gz SQFDETCSTBSXIV-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN O=C(N[C@@H](Nc1ccc(C(F)(F)F)c(Cl)c1)C(Cl)(Cl)Cl)c1cccnc1 ZINC000013371537 556503756 /nfs/dbraw/zinc/50/37/56/556503756.db2.gz JJUQEDDJVHWNOA-CYBMUJFWSA-N 0 0 447.071 5.292 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000030756230 556504855 /nfs/dbraw/zinc/50/48/55/556504855.db2.gz KOBHVYCNBMCOFW-UHFFFAOYSA-N 0 0 442.968 5.572 40 0 IKABRN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000408919374 556505533 /nfs/dbraw/zinc/50/55/33/556505533.db2.gz WZQOOGNSKUDFHM-ZKKFKWFVSA-N 0 0 434.322 5.396 40 0 IKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000408920216 556506106 /nfs/dbraw/zinc/50/61/06/556506106.db2.gz BKZBTTBVJPEZRA-SFHVURJKSA-N 0 0 440.590 5.224 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000030847794 556507733 /nfs/dbraw/zinc/50/77/33/556507733.db2.gz DQXCZQZTAYLLDT-UHFFFAOYSA-N 0 0 426.563 5.160 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000030850047 556508444 /nfs/dbraw/zinc/50/84/44/556508444.db2.gz ULXBCVUWPGARDN-SANMLTNESA-N 0 0 449.616 6.384 40 0 IKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 ZINC000013498217 556509067 /nfs/dbraw/zinc/50/90/67/556509067.db2.gz AUPRRYMASNKLOI-XMMPIXPASA-N 0 0 436.577 5.021 40 0 IKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000030853982 556509586 /nfs/dbraw/zinc/50/95/86/556509586.db2.gz WOYCGAPBSKYBTP-UHFFFAOYSA-N 0 0 446.528 5.210 40 0 IKABRN Cc1cc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)ccc1Br ZINC000030855123 556509688 /nfs/dbraw/zinc/50/96/88/556509688.db2.gz LDMMIKYQFWYBBF-UHFFFAOYSA-N 0 0 435.365 5.963 40 0 IKABRN COc1ccc(S[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000030855110 556509861 /nfs/dbraw/zinc/50/98/61/556509861.db2.gz SOWVHXJBTODQSB-OAQYLSRUSA-N 0 0 446.616 5.110 40 0 IKABRN CC[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(OC)cc1 ZINC000030855301 556510091 /nfs/dbraw/zinc/51/00/91/556510091.db2.gz UAAQKYHRZKXQPJ-LJQANCHMSA-N 0 0 428.326 5.257 40 0 IKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030855399 556510167 /nfs/dbraw/zinc/51/01/67/556510167.db2.gz BIYVGMXAGZDMRT-QHCPKHFHSA-N 0 0 449.978 6.665 40 0 IKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000030858110 556510465 /nfs/dbraw/zinc/51/04/65/556510465.db2.gz ROGLLDRKEFSNQF-SFHVURJKSA-N 0 0 448.868 6.567 40 0 IKABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000030860407 556510958 /nfs/dbraw/zinc/51/09/58/556510958.db2.gz KZPDVOJLROVQDG-OAHLLOKOSA-N 0 0 432.369 5.076 40 0 IKABRN Cc1ccccc1[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 ZINC000030860928 556511008 /nfs/dbraw/zinc/51/10/08/556511008.db2.gz UJCTYBFCGQOTOZ-HSZRJFAPSA-N 0 0 430.400 6.441 40 0 IKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000030861633 556511338 /nfs/dbraw/zinc/51/13/38/556511338.db2.gz MJEIMNDSEMRGCV-RDPSFJRHSA-N 0 0 430.548 5.591 40 0 IKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000030861639 556511375 /nfs/dbraw/zinc/51/13/75/556511375.db2.gz MJEIMNDSEMRGCV-HYBUGGRVSA-N 0 0 430.548 5.591 40 0 IKABRN COc1ccc(C)cc1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000030863666 556511699 /nfs/dbraw/zinc/51/16/99/556511699.db2.gz KQBTYMCZSPKVMY-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Oc2ccccc2)cc1 ZINC000030867457 556512483 /nfs/dbraw/zinc/51/24/83/556512483.db2.gz BUJZGILCVLTFEV-UHFFFAOYSA-N 0 0 427.831 5.952 40 0 IKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030872224 556513836 /nfs/dbraw/zinc/51/38/36/556513836.db2.gz BTAMFCCUBFRQMR-LJQANCHMSA-N 0 0 427.548 5.030 40 0 IKABRN O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000030874003 556514092 /nfs/dbraw/zinc/51/40/92/556514092.db2.gz DLQCHFVMLYSFOS-UHFFFAOYSA-N 0 0 433.964 5.748 40 0 IKABRN S=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013547802 556514176 /nfs/dbraw/zinc/51/41/76/556514176.db2.gz WTDIWLXMFKIUGF-UHFFFAOYSA-N 0 0 448.635 6.436 40 0 IKABRN COc1ccc(NC(=O)c2c(NC(=O)c3ccc(C)cc3)sc3c2CCC3)cc1Cl ZINC000015277164 556514594 /nfs/dbraw/zinc/51/45/94/556514594.db2.gz GXTIQZHPDZYUQC-UHFFFAOYSA-N 0 0 440.952 5.712 40 0 IKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000030945420 556517222 /nfs/dbraw/zinc/51/72/22/556517222.db2.gz ADGOVKLEAGOYRF-ZDUSSCGKSA-N 0 0 432.178 6.151 40 0 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CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 ZINC000032115352 556531614 /nfs/dbraw/zinc/53/16/14/556531614.db2.gz DEYOAGODEBVRMW-UHFFFAOYSA-N 0 0 428.822 6.077 40 0 IKABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1OC ZINC000032115433 556531792 /nfs/dbraw/zinc/53/17/92/556531792.db2.gz DFJGJVHKASYRQQ-UHFFFAOYSA-N 0 0 427.570 5.074 40 0 IKABRN COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)cc1Br ZINC000032115807 556531803 /nfs/dbraw/zinc/53/18/03/556531803.db2.gz YQPLNGVXQGVWHG-RMKNXTFCSA-N 0 0 439.265 5.511 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 ZINC000032115514 556531817 /nfs/dbraw/zinc/53/18/17/556531817.db2.gz QHPYZLZYMBHWDT-UHFFFAOYSA-N 0 0 440.877 6.976 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1Cl ZINC000032115435 556531822 /nfs/dbraw/zinc/53/18/22/556531822.db2.gz CURFTZJGJLZUOK-UHFFFAOYSA-N 0 0 433.241 6.641 40 0 IKABRN O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115556 556531846 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O=C(CSc1ccc(Cl)cc1)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000032127230 556535987 /nfs/dbraw/zinc/53/59/87/556535987.db2.gz KIONYUPCBXDKHE-UHFFFAOYSA-N 0 0 444.943 7.032 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 ZINC000015588105 556536037 /nfs/dbraw/zinc/53/60/37/556536037.db2.gz USLOIYNACSLDEC-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN O=C(Nc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000015588193 556536151 /nfs/dbraw/zinc/53/61/51/556536151.db2.gz SILQSILSCWPSFN-UHFFFAOYSA-N 0 0 439.295 5.186 40 0 IKABRN CC(C(=O)Nc1nc2c(ccc(Cl)c2Cl)s1)(c1ccccc1)c1ccccc1 ZINC000032127380 556536454 /nfs/dbraw/zinc/53/64/54/556536454.db2.gz GBOLILYSWXJNLG-UHFFFAOYSA-N 0 0 427.356 6.548 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000032127601 556536648 /nfs/dbraw/zinc/53/66/48/556536648.db2.gz YODNVVVHJKJECP-QHHAFSJGSA-N 0 0 434.348 5.092 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccccc3Cl)c2)cc1 ZINC000013628058 556537665 /nfs/dbraw/zinc/53/76/65/556537665.db2.gz JYTDLNGHAOGEPY-DTQAZKPQSA-N 0 0 432.951 6.542 40 0 IKABRN COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628181 556537915 /nfs/dbraw/zinc/53/79/15/556537915.db2.gz OEWPLVGWEKAXBD-LICLKQGHSA-N 0 0 428.532 5.897 40 0 IKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628286 556537937 /nfs/dbraw/zinc/53/79/37/556537937.db2.gz QFAZZVRJLWUMOF-HXUWFJFHSA-N 0 0 444.575 6.259 40 0 IKABRN CC1=Nc2nc3ccccc3n2[C@@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OC(C)C ZINC000013635023 556540521 /nfs/dbraw/zinc/54/05/21/556540521.db2.gz MIQHAXRLDLWIIT-VWLOTQADSA-N 0 0 439.515 6.069 40 0 IKABRN CC1=Nc2nc3ccccc3n2[C@H](c2cccc(Br)c2)C1C(=O)OC(C)C ZINC000013635041 556540547 /nfs/dbraw/zinc/54/05/47/556540547.db2.gz BEALGGZSLQIZPC-LJQANCHMSA-N 0 0 426.314 5.039 40 0 IKABRN CC1=Nc2nc3ccccc3n2[C@@H](c2cccc(Br)c2)C1C(=O)OC(C)C ZINC000013635045 556540557 /nfs/dbraw/zinc/54/05/57/556540557.db2.gz BEALGGZSLQIZPC-IBGZPJMESA-N 0 0 426.314 5.039 40 0 IKABRN CCCOc1ccc([C@@H]2C(C(=O)OC)C(c3ccccc3)=Nc3nc4ccccc4n32)cc1 ZINC000013634961 556540571 /nfs/dbraw/zinc/54/05/71/556540571.db2.gz APTHEPLOFRJLME-RUZDIDTESA-N 0 0 439.515 5.424 40 0 IKABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000013634978 556540599 /nfs/dbraw/zinc/54/05/99/556540599.db2.gz MZEGIOFRXYPYDU-FQEVSTJZSA-N 0 0 440.341 5.431 40 0 IKABRN CC1=Nc2nc3ccccc3n2[C@H](c2ccc(OCCC(C)C)cc2)C1C(=O)OC(C)C ZINC000013635049 556540760 /nfs/dbraw/zinc/54/07/60/556540760.db2.gz YANDEOKPDAWITG-XMMPIXPASA-N 0 0 433.552 5.702 40 0 IKABRN CCOc1ccccc1NC(=O)c1nnc2c(-c3cccc4ccccc43)c(C)nn2c1C ZINC000013635685 556541212 /nfs/dbraw/zinc/54/12/12/556541212.db2.gz UCNNVENUUSQHSS-UHFFFAOYSA-N 0 0 437.503 5.212 40 0 IKABRN CC(C)(C)OC(=O)CC[C@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000015722352 556545321 /nfs/dbraw/zinc/54/53/21/556545321.db2.gz NYRSZLHHHLKYST-DEOSSOPVSA-N 0 0 445.559 5.143 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)cc1C ZINC000013667709 556548667 /nfs/dbraw/zinc/54/86/67/556548667.db2.gz RTOBZBSAYIAHGG-LJQANCHMSA-N 0 0 434.561 5.004 40 0 IKABRN Cc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C ZINC000013669340 556550166 /nfs/dbraw/zinc/55/01/66/556550166.db2.gz STQPJARWYFYGIK-FQEVSTJZSA-N 0 0 444.641 5.025 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1OC ZINC000013674363 556554040 /nfs/dbraw/zinc/55/40/40/556554040.db2.gz PPUMFIZZJREILO-UHFFFAOYSA-N 0 0 449.981 5.450 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)c1C ZINC000013675757 556554209 /nfs/dbraw/zinc/55/42/09/556554209.db2.gz BGYXSHICSCWPOK-GOSISDBHSA-N 0 0 434.561 5.004 40 0 IKABRN CN(c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1cccs1 ZINC000013679210 556555713 /nfs/dbraw/zinc/55/57/13/556555713.db2.gz QWYOWGVGUHYWJB-UHFFFAOYSA-N 0 0 441.361 5.132 40 0 IKABRN CCCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2Cl)N1 ZINC000408957971 556561385 /nfs/dbraw/zinc/56/13/85/556561385.db2.gz WSCSURPVTWDNRR-KRWDZBQOSA-N 0 0 441.277 5.182 40 0 IKABRN Cc1ccc2[nH]c(Sc3ccc(C=C4SC(=O)N(c5ccccc5)C4=O)o3)nc2c1 ZINC000408967719 556576443 /nfs/dbraw/zinc/57/64/43/556576443.db2.gz XEIPBLDPHCDVSP-LDADJPATSA-N 0 0 433.514 5.856 40 0 IKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O[N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000034609448 556580033 /nfs/dbraw/zinc/58/00/33/556580033.db2.gz YYFZLFRYFOLELG-VEIPTCAHSA-N 0 0 431.661 7.605 40 0 IKABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1)C2 ZINC000016156504 556586123 /nfs/dbraw/zinc/58/61/23/556586123.db2.gz NFPKEWMHXBQXSX-AVIIBGNQSA-N 0 0 426.944 5.131 40 0 IKABRN CCc1ccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000016162007 556586506 /nfs/dbraw/zinc/58/65/06/556586506.db2.gz QNHRSCIXFMQZNV-UHFFFAOYSA-N 0 0 436.515 5.462 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 ZINC000016161909 556586576 /nfs/dbraw/zinc/58/65/76/556586576.db2.gz AEOXCYDJGFQICL-SJJVXOANSA-N 0 0 430.573 5.736 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000016194578 556589617 /nfs/dbraw/zinc/58/96/17/556589617.db2.gz MNMAPGGXUMQANS-MDZDMXLPSA-N 0 0 438.314 6.197 40 0 IKABRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195496 556589887 /nfs/dbraw/zinc/58/98/87/556589887.db2.gz DRADFOVDNNJCHM-UHFFFAOYSA-N 0 0 446.330 5.569 40 0 IKABRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016195825 556590382 /nfs/dbraw/zinc/59/03/82/556590382.db2.gz FDBCKHGUBKHLLG-UHFFFAOYSA-N 0 0 446.330 5.569 40 0 IKABRN COc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000016216967 556592152 /nfs/dbraw/zinc/59/21/52/556592152.db2.gz HPXJJBYSNCWVKQ-MUUNZHRXSA-N 0 0 449.510 5.811 40 0 IKABRN C[C@@H]1C(=O)[C@@H](C)[C@@H](c2cccc(Br)c2)N[C@@H]1c1cccc(Br)c1 ZINC000036075333 556592637 /nfs/dbraw/zinc/59/26/37/556592637.db2.gz QLAGUGWBFPPFDV-BMEPFDOTSA-N 0 0 437.175 5.439 40 0 IKABRN Cc1sc2nc(SCc3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC000016265893 556595640 /nfs/dbraw/zinc/59/56/40/556595640.db2.gz LXEAHBRIHFTMJG-UHFFFAOYSA-N 0 0 447.412 6.663 40 0 IKABRN COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1cccc2ccccc21 ZINC000016268148 556596050 /nfs/dbraw/zinc/59/60/50/556596050.db2.gz FUUWIYLDJQBXBJ-UHFFFAOYSA-N 0 0 425.488 6.053 40 0 IKABRN Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000016281989 556596493 /nfs/dbraw/zinc/59/64/93/556596493.db2.gz CRIJVVDOSGGUIS-UHFFFAOYSA-N 0 0 441.163 5.661 40 0 IKABRN Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000016282449 556596717 /nfs/dbraw/zinc/59/67/17/556596717.db2.gz YZUOUQGWDSCNDS-UHFFFAOYSA-N 0 0 425.271 5.355 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000016284397 556597203 /nfs/dbraw/zinc/59/72/03/556597203.db2.gz FPICHTOPAGFPQL-UHFFFAOYSA-N 0 0 447.325 6.441 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc2ccccc2c1 ZINC000016284461 556597255 /nfs/dbraw/zinc/59/72/55/556597255.db2.gz OYKCYYIUMXWUNE-UHFFFAOYSA-N 0 0 428.495 6.288 40 0 IKABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1C ZINC000100846773 556597283 /nfs/dbraw/zinc/59/72/83/556597283.db2.gz JTNIFZSWZPIHRK-ZRBLBEILSA-N 0 0 432.907 5.008 40 0 IKABRN COc1ccc(OC)c(S[C@H](CC(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)c1 ZINC000016291783 556597915 /nfs/dbraw/zinc/59/79/15/556597915.db2.gz DBRFQUYNYRHFMQ-HSZRJFAPSA-N 0 0 426.965 6.772 40 0 IKABRN Cc1ccc(C(=O)C[C@H](Sc2cccc(Cl)c2Cl)c2ccc(Cl)cc2)cc1 ZINC000016291791 556597952 /nfs/dbraw/zinc/59/79/52/556597952.db2.gz CZDXCCWIFGHIMN-NRFANRHFSA-N 0 0 435.803 8.062 40 0 IKABRN Cc1ccc(C(=O)C[C@@H](Sc2cccc(Cl)c2Cl)c2ccc(Cl)cc2)cc1 ZINC000016291789 556597978 /nfs/dbraw/zinc/59/79/78/556597978.db2.gz CZDXCCWIFGHIMN-OAQYLSRUSA-N 0 0 435.803 8.062 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000036464999 556598079 /nfs/dbraw/zinc/59/80/79/556598079.db2.gz PHLIUSDPFOUISN-ANARKQHNSA-N 0 0 430.717 8.039 40 0 IKABRN Cc1ccc(C(=O)Sc2nc(-c3ccc(Cl)cc3)sc2Nc2ccccc2)cc1 ZINC000016292084 556598083 /nfs/dbraw/zinc/59/80/83/556598083.db2.gz YUBRFDBRLFHZGA-UHFFFAOYSA-N 0 0 436.989 7.448 40 0 IKABRN Cc1ccc(NC(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 ZINC000016293118 556598503 /nfs/dbraw/zinc/59/85/03/556598503.db2.gz KTKSZVDMRVUPCU-GOSISDBHSA-N 0 0 428.536 5.639 40 0 IKABRN CC(=O)OCCc1sc(=O)[nH]c1N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000036633829 556599274 /nfs/dbraw/zinc/59/92/74/556599274.db2.gz RCDGZWSJOUUUQB-WOJBJXKFSA-N 0 0 441.940 5.078 40 0 IKABRN CC(=O)OCCc1sc(=O)[nH]c1N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000036633828 556599302 /nfs/dbraw/zinc/59/93/02/556599302.db2.gz RCDGZWSJOUUUQB-PMACEKPBSA-N 0 0 441.940 5.078 40 0 IKABRN Cc1ccc(-n2nnnc2-c2cnc(C(C)(C)C)nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000016311543 556599646 /nfs/dbraw/zinc/59/96/46/556599646.db2.gz AQGNSXPQODKLPE-UHFFFAOYSA-N 0 0 438.457 5.411 40 0 IKABRN COc1ccc(OC)c(S[C@@H](CC(=O)c2ccc(C)c(C)c2)c2ccc(Cl)cc2)c1 ZINC000016311904 556599816 /nfs/dbraw/zinc/59/98/16/556599816.db2.gz KHZDLYZTLQNQAC-DEOSSOPVSA-N 0 0 440.992 7.080 40 0 IKABRN Cc1ccc(NC(=O)NC[C@H]2C[C@H](CNC(=O)Nc3ccc(C)c(C)c3)C2(C)C)cc1C ZINC000016312497 556599889 /nfs/dbraw/zinc/59/98/89/556599889.db2.gz RGFFSHQHUIVXTQ-NHCUHLMSSA-N 0 0 436.600 5.526 40 0 IKABRN CC(=O)c1ccc2c(c1)N(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1S2 ZINC000016321984 556600641 /nfs/dbraw/zinc/60/06/41/556600641.db2.gz LGTCNPFQNNFHFT-UHFFFAOYSA-N 0 0 429.328 7.031 40 0 IKABRN Cc1ccc(-n2nc3c(c2-c2cccc(Br)c2)-c2ccccc2CC3)cc1Cl ZINC000016346942 556601593 /nfs/dbraw/zinc/60/15/93/556601593.db2.gz KRNFJXMYKGPFTH-UHFFFAOYSA-N 0 0 449.779 7.029 40 0 IKABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000100914565 556602281 /nfs/dbraw/zinc/60/22/81/556602281.db2.gz FWPXXWJCAFWHHE-VABKMULXSA-N 0 0 432.907 5.008 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)CSc1nc(C)nc2sc3c(c21)CCCC3 ZINC000016363301 556603081 /nfs/dbraw/zinc/60/30/81/556603081.db2.gz WUZUHAVPQUVRFD-UHFFFAOYSA-N 0 0 433.986 5.271 40 0 IKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000016362324 556603087 /nfs/dbraw/zinc/60/30/87/556603087.db2.gz XMYBIDMAWSPLPV-UHFFFAOYSA-N 0 0 440.590 5.225 40 0 IKABRN O=C(Nc1cccc(Cl)c1)OCC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1 ZINC000016398961 556605081 /nfs/dbraw/zinc/60/50/81/556605081.db2.gz PUKOGOWPWDAUQN-LJQANCHMSA-N 0 0 436.339 6.019 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1 ZINC000016399088 556605248 /nfs/dbraw/zinc/60/52/48/556605248.db2.gz ISRJMUBEOOMPKC-UHFFFAOYSA-N 0 0 447.709 5.398 40 0 IKABRN O=C(Nc1cccc(Cl)c1)SCCOCCSC(=O)Nc1cccc(Cl)c1 ZINC000016399025 556605258 /nfs/dbraw/zinc/60/52/58/556605258.db2.gz MFVQLFNONLCSNL-UHFFFAOYSA-N 0 0 445.393 6.240 40 0 IKABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1)Nc1ccc(Cl)cc1 ZINC000016428362 556607029 /nfs/dbraw/zinc/60/70/29/556607029.db2.gz DTRINMQUDXHKSE-HZPDHXFCSA-N 0 0 449.382 5.743 40 0 IKABRN Clc1ccc(-c2nc(SCc3cc4c(cc3Cl)OCO4)nc3c2CCCC3)cc1 ZINC000016429382 556607270 /nfs/dbraw/zinc/60/72/70/556607270.db2.gz SMKIBYCWBJFRTK-UHFFFAOYSA-N 0 0 445.371 6.350 40 0 IKABRN Brc1c(-c2ccc(Br)cc2)nc2ccc(Br)cn12 ZINC000016429347 556607289 /nfs/dbraw/zinc/60/72/89/556607289.db2.gz AWJVWNLAIKWFGT-UHFFFAOYSA-N 0 0 430.925 5.289 40 0 IKABRN FC(F)(F)c1cc(SCc2cn3cc(Cl)ccc3n2)nc2cc3c(cc21)OCO3 ZINC000016448858 556608973 /nfs/dbraw/zinc/60/89/73/556608973.db2.gz AQZOSYAELOEFQL-UHFFFAOYSA-N 0 0 437.830 5.576 40 0 IKABRN Fc1ccc(COc2ccc(Br)cc2CNCc2ccccc2Cl)cc1 ZINC000016449709 556609154 /nfs/dbraw/zinc/60/91/54/556609154.db2.gz UUXWZMFBHBVBCW-UHFFFAOYSA-N 0 0 434.736 6.110 40 0 IKABRN OCc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000312592192 556610282 /nfs/dbraw/zinc/61/02/82/556610282.db2.gz DSRKXZOEBBZJTN-UHFFFAOYSA-N 0 0 440.946 5.590 40 0 IKABRN N=C1S[C@H](C(=O)c2ccccc2)[C@@](Br)(c2ccccc2)N1c1ccccc1 ZINC000016476508 556610722 /nfs/dbraw/zinc/61/07/22/556610722.db2.gz AHUSPTPILYVXOB-IFMALSPDSA-N 0 0 437.362 5.674 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000408972787 556610796 /nfs/dbraw/zinc/61/07/96/556610796.db2.gz FOFFNMZKYWSJHY-MHZLTWQESA-N 0 0 444.600 5.879 40 0 IKABRN O=C(CSc1nccc2ccccc21)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000016476959 556610943 /nfs/dbraw/zinc/61/09/43/556610943.db2.gz LNQLTBVBGFSDMB-UHFFFAOYSA-N 0 0 432.932 5.850 40 0 IKABRN O=C(CSc1cccc2cccnc21)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000016476962 556610953 /nfs/dbraw/zinc/61/09/53/556610953.db2.gz BLJGHKUZZOACNA-UHFFFAOYSA-N 0 0 432.932 5.850 40 0 IKABRN O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000016478593 556611197 /nfs/dbraw/zinc/61/11/97/556611197.db2.gz OHBAJFNVXPNVQC-UHFFFAOYSA-N 0 0 437.524 5.704 40 0 IKABRN Cc1ccc(S[C@@H](C)C=CNN=C2NN=C(c3ccccc3)[C@@H](c3ccccc3)N2)cc1 ZINC000038208455 556612363 /nfs/dbraw/zinc/61/23/63/556612363.db2.gz XVFLOSRILJBFTA-WTYGBKJTSA-N 0 0 441.604 5.188 40 0 IKABRN O=C(Nc1cc(Oc2ccccc2)cc(Oc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000016490801 556612359 /nfs/dbraw/zinc/61/23/59/556612359.db2.gz KABPZLBLIGEISG-UHFFFAOYSA-N 0 0 439.555 7.426 40 0 IKABRN Brc1ccc(-c2nnn3ncc(-c4ccccc4)c(-c4ccccc4)c23)cc1 ZINC000016493294 556612762 /nfs/dbraw/zinc/61/27/62/556612762.db2.gz RELVJSCBLIKNEQ-UHFFFAOYSA-N 0 0 427.305 5.888 40 0 IKABRN Cc1ccc(C)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 ZINC000408973947 556613094 /nfs/dbraw/zinc/61/30/94/556613094.db2.gz RBSCRGFJBDNERZ-SANMLTNESA-N 0 0 430.573 5.372 40 0 IKABRN CCn1c(CC(C)C)nnc1SCC(=O)Nc1ccc(Br)cc1C(C)C ZINC000038536836 556613718 /nfs/dbraw/zinc/61/37/18/556613718.db2.gz UNWVXDQCEOYMJA-UHFFFAOYSA-N 0 0 439.423 5.113 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cc2cccc(OC)c2o1 ZINC000038535159 556613734 /nfs/dbraw/zinc/61/37/34/556613734.db2.gz CYKREDQOIUUVGH-UHFFFAOYSA-N 0 0 436.537 5.067 40 0 IKABRN O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(Br)cc1 ZINC000016525129 556614066 /nfs/dbraw/zinc/61/40/66/556614066.db2.gz FGRORKIQBADAFJ-UHFFFAOYSA-N 0 0 426.701 5.898 40 0 IKABRN O=C(Nc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1)c1ccc2ccccc2c1O ZINC000016526029 556614376 /nfs/dbraw/zinc/61/43/76/556614376.db2.gz HVNDDKMMPYPWHS-UHFFFAOYSA-N 0 0 448.478 5.909 40 0 IKABRN O=C(NCCc1cn(C(=O)Nc2cccc3ccccc32)cn1)Nc1cccc2ccccc21 ZINC000016544960 556614653 /nfs/dbraw/zinc/61/46/53/556614653.db2.gz BNYUKCPRCIVGNJ-UHFFFAOYSA-N 0 0 449.514 5.634 40 0 IKABRN CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000016575028 556615630 /nfs/dbraw/zinc/61/56/30/556615630.db2.gz HFHLVVZKIIEVFH-UHFFFAOYSA-N 0 0 432.343 5.116 40 0 IKABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c(Cl)c1Cl ZINC000038752077 556615864 /nfs/dbraw/zinc/61/58/64/556615864.db2.gz WSDBXKYRYBZDOB-OAQYLSRUSA-N 0 0 436.360 5.378 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1Cl ZINC000038752922 556616149 /nfs/dbraw/zinc/61/61/49/556616149.db2.gz FDROBCZHLVPGIQ-UHFFFAOYSA-N 0 0 434.923 5.332 40 0 IKABRN CN(C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)C1CCCC1 ZINC000038752931 556616194 /nfs/dbraw/zinc/61/61/94/556616194.db2.gz JAONOXCOKMHYSD-QHCPKHFHSA-N 0 0 428.985 5.129 40 0 IKABRN O=C(Nc1cccc(Br)c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000038752989 556616197 /nfs/dbraw/zinc/61/61/97/556616197.db2.gz UEWBETUHIMHQDK-UHFFFAOYSA-N 0 0 428.351 5.873 40 0 IKABRN CC1(C)CC(NC(=O)c2ccc(Cl)cc2)CC(C)(C)N1C(=O)c1ccc(Cl)cc1 ZINC000016577759 556616320 /nfs/dbraw/zinc/61/63/20/556616320.db2.gz LYIROPIWRKGBAU-UHFFFAOYSA-N 0 0 433.379 5.585 40 0 IKABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000038753877 556616705 /nfs/dbraw/zinc/61/67/05/556616705.db2.gz RTGGQKMBPDFJFY-XMMPIXPASA-N 0 0 442.625 5.077 40 0 IKABRN Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1 ZINC000038754699 556616928 /nfs/dbraw/zinc/61/69/28/556616928.db2.gz HXTBEXBISSGHMG-GDLZYMKVSA-N 0 0 432.567 6.077 40 0 IKABRN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 ZINC000016610397 556617575 /nfs/dbraw/zinc/61/75/75/556617575.db2.gz YDKDECUKQQHJFN-LBPRGKRZSA-N 0 0 433.986 5.562 40 0 IKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000038755417 556617571 /nfs/dbraw/zinc/61/75/71/556617571.db2.gz VTHSQHJLZMMSEG-XMMPIXPASA-N 0 0 448.994 5.431 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nc2c1 ZINC000016610670 556617630 /nfs/dbraw/zinc/61/76/30/556617630.db2.gz HHMWPKWUEHWAEJ-ZGUWOUCSSA-N 0 0 430.935 7.314 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nc2c1 ZINC000016610749 556617792 /nfs/dbraw/zinc/61/77/92/556617792.db2.gz JJQCNXWMFNQMOQ-MRXNPFEDSA-N 0 0 434.923 6.679 40 0 IKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 ZINC000016610831 556617808 /nfs/dbraw/zinc/61/78/08/556617808.db2.gz OUAGCOJMGMIIIM-RTBURBONSA-N 0 0 442.559 7.438 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OCC(C)C)c4)c3)nc2c1 ZINC000016610898 556617815 /nfs/dbraw/zinc/61/78/15/556617815.db2.gz XLCRVQNHUMOTNK-IBGZPJMESA-N 0 0 442.559 7.295 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC(C)C)cc4)c3)nc2c1 ZINC000016610825 556617826 /nfs/dbraw/zinc/61/78/26/556617826.db2.gz PUHQSFCITWBASF-SFHVURJKSA-N 0 0 428.532 7.048 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Cl)c4Cl)c3)nc2c1 ZINC000016610909 556617858 /nfs/dbraw/zinc/61/78/58/556617858.db2.gz UXSWLCZAUJXCEU-CQSZACIVSA-N 0 0 439.342 7.567 40 0 IKABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc(C)cc1 ZINC000038756538 556618302 /nfs/dbraw/zinc/61/83/02/556618302.db2.gz XSQMGRXJFQDOFG-QHCPKHFHSA-N 0 0 436.577 5.294 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc(C)cc1 ZINC000038756540 556618339 /nfs/dbraw/zinc/61/83/39/556618339.db2.gz XSQMGRXJFQDOFG-HSZRJFAPSA-N 0 0 436.577 5.294 40 0 IKABRN COc1ccc(SCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000038771272 556618970 /nfs/dbraw/zinc/61/89/70/556618970.db2.gz OJIAOMPBOKHWPI-UHFFFAOYSA-N 0 0 433.573 5.955 40 0 IKABRN CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1 ZINC000016639366 556619715 /nfs/dbraw/zinc/61/97/15/556619715.db2.gz NDXPTWUNQXCZKQ-LJQANCHMSA-N 0 0 442.559 7.440 40 0 IKABRN CCCCOc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000016639247 556619743 /nfs/dbraw/zinc/61/97/43/556619743.db2.gz OVKKSHBLYZHJDE-XMMPIXPASA-N 0 0 442.386 7.599 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000016639231 556619815 /nfs/dbraw/zinc/61/98/15/556619815.db2.gz XPXOWJGCZGQOPL-IBGZPJMESA-N 0 0 442.559 7.440 40 0 IKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 ZINC000016639210 556619824 /nfs/dbraw/zinc/61/98/24/556619824.db2.gz LLPBJTVBBHBQKM-UHFFFAOYSA-N 0 0 433.986 5.564 40 0 IKABRN CC(C)N(C(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)C(C)C ZINC000408975695 556620029 /nfs/dbraw/zinc/62/00/29/556620029.db2.gz CHGJBWOMAFCIRY-UHFFFAOYSA-N 0 0 442.592 5.569 40 0 IKABRN CN(C)c1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 ZINC000408976058 556620041 /nfs/dbraw/zinc/62/00/41/556620041.db2.gz DWNBHEKSZNULOM-UHFFFAOYSA-N 0 0 446.514 5.072 40 0 IKABRN COCc1nn2c(ncc(C(=O)Nc3ccc(F)c(Cl)c3)c2C)c1-c1ccc(F)cc1 ZINC000038829732 556621067 /nfs/dbraw/zinc/62/10/67/556621067.db2.gz HUEJEDOYWVHOBP-UHFFFAOYSA-N 0 0 442.853 5.035 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)c1cnc2c(-c3cccc(Cl)c3)cnn2c1C ZINC000038829654 556621086 /nfs/dbraw/zinc/62/10/86/556621086.db2.gz LBCKZTJQDKIBHS-UHFFFAOYSA-N 0 0 427.291 5.272 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834468 556622514 /nfs/dbraw/zinc/62/25/14/556622514.db2.gz SVXCTLFHFKWIRG-MRXNPFEDSA-N 0 0 435.351 5.021 40 0 IKABRN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038834717 556622803 /nfs/dbraw/zinc/62/28/03/556622803.db2.gz VEEOIWZURHDLMW-UHFFFAOYSA-N 0 0 431.285 5.863 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038835011 556623056 /nfs/dbraw/zinc/62/30/56/556623056.db2.gz WSJIWEBSWOQVJR-CYBMUJFWSA-N 0 0 432.178 6.151 40 0 IKABRN O=C(NCCSCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038837061 556623386 /nfs/dbraw/zinc/62/33/86/556623386.db2.gz ISCXEEHHORZPNG-UHFFFAOYSA-N 0 0 437.436 5.255 40 0 IKABRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038848666 556623718 /nfs/dbraw/zinc/62/37/18/556623718.db2.gz GRQCRSKHXNKGFB-UHFFFAOYSA-N 0 0 446.205 5.829 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849388 556624030 /nfs/dbraw/zinc/62/40/30/556624030.db2.gz DNMHERDPYSCEKT-AWEZNQCLSA-N 0 0 427.759 5.506 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038849391 556624036 /nfs/dbraw/zinc/62/40/36/556624036.db2.gz XHPWJBOKMFNLFD-CYBMUJFWSA-N 0 0 427.759 5.506 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038849405 556624101 /nfs/dbraw/zinc/62/41/01/556624101.db2.gz IMQMWZDSZHZQMT-UHFFFAOYSA-N 0 0 427.759 5.506 40 0 IKABRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1c1ccc(Cl)c(Cl)c1 ZINC000016682601 556624595 /nfs/dbraw/zinc/62/45/95/556624595.db2.gz RXEQFBPHZMIJPQ-FQEVSTJZSA-N 0 0 446.359 5.957 40 0 IKABRN CCOC(=O)CSc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000016682865 556624856 /nfs/dbraw/zinc/62/48/56/556624856.db2.gz GWROGJXCSUSSDB-UHFFFAOYSA-N 0 0 433.960 6.877 40 0 IKABRN Cc1nccn1Cc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000038852008 556624979 /nfs/dbraw/zinc/62/49/79/556624979.db2.gz AMISUYBXJCXOFF-UHFFFAOYSA-N 0 0 434.392 5.210 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038860408 556626154 /nfs/dbraw/zinc/62/61/54/556626154.db2.gz GZGPLKQWEHCEET-UHFFFAOYSA-N 0 0 431.285 5.863 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038860417 556626370 /nfs/dbraw/zinc/62/63/70/556626370.db2.gz XJUSIRCMCKZCJH-UHFFFAOYSA-N 0 0 431.285 5.863 40 0 IKABRN CCOc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 ZINC000016688636 556626714 /nfs/dbraw/zinc/62/67/14/556626714.db2.gz VBPDRPZXDJFDEI-UHFFFAOYSA-N 0 0 425.912 5.306 40 0 IKABRN CCOc1cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)ccc1OCc1ccccc1 ZINC000016689199 556627024 /nfs/dbraw/zinc/62/70/24/556627024.db2.gz FVGLLKJZRNOSCV-UQQQWYQISA-N 0 0 449.506 6.162 40 0 IKABRN S=C(NCCC1=CCCCC1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408976228 556627011 /nfs/dbraw/zinc/62/70/11/556627011.db2.gz DYYOYJJJLUIIFM-UHFFFAOYSA-N 0 0 444.560 6.327 40 0 IKABRN CCOc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)sc2c1 ZINC000016693095 556627940 /nfs/dbraw/zinc/62/79/40/556627940.db2.gz ASEQOQKGACSZKE-UHFFFAOYSA-N 0 0 444.965 5.816 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000039392559 556628359 /nfs/dbraw/zinc/62/83/59/556628359.db2.gz PHLIUSDPFOUISN-GQRDYSQKSA-N 0 0 430.717 8.039 40 0 IKABRN COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1 ZINC000039723893 556629838 /nfs/dbraw/zinc/62/98/38/556629838.db2.gz ITOKPCLKUAWRKY-UHFFFAOYSA-N 0 0 426.350 5.398 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(Br)cc3)ccc21 ZINC000039858284 556630021 /nfs/dbraw/zinc/63/00/21/556630021.db2.gz GDIMDQDVSGWCRQ-HNNXBMFYSA-N 0 0 437.337 5.983 40 0 IKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)c1ccc2ccccc2c1 ZINC000016713358 556630478 /nfs/dbraw/zinc/63/04/78/556630478.db2.gz NMWIRFQBLPJZOC-UHFFFAOYSA-N 0 0 446.984 7.140 40 0 IKABRN Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1F ZINC000016713347 556630483 /nfs/dbraw/zinc/63/04/83/556630483.db2.gz FIINJACLQZSBJN-UHFFFAOYSA-N 0 0 443.956 6.190 40 0 IKABRN Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc(Cl)cc2C)c2ccccc2)cc1 ZINC000408977837 556633684 /nfs/dbraw/zinc/63/36/84/556633684.db2.gz FVXAADZDCJAVRN-QFIPXVFZSA-N 0 0 442.968 5.005 40 0 IKABRN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O ZINC000040251461 556634323 /nfs/dbraw/zinc/63/43/23/556634323.db2.gz VRIDPZPRNYFQEE-IBGZPJMESA-N 0 0 445.950 5.598 40 0 IKABRN Cc1c(C(=O)Nc2cccc(Cl)c2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn21 ZINC000040385026 556635539 /nfs/dbraw/zinc/63/55/39/556635539.db2.gz FGQNRPBTKPUINE-UHFFFAOYSA-N 0 0 440.334 5.782 40 0 IKABRN COc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)cc1 ZINC000040385069 556635765 /nfs/dbraw/zinc/63/57/65/556635765.db2.gz NUHSRMVYZXOTTO-UHFFFAOYSA-N 0 0 435.915 5.137 40 0 IKABRN Cc1nc2nc(N3CCC(C)CC3)[nH]c(=O)c2c(=S)n1-c1cc(Cl)cc(Cl)c1 ZINC000040386886 556636085 /nfs/dbraw/zinc/63/60/85/556636085.db2.gz BVZPXTTYMLHYQT-UHFFFAOYSA-N 0 0 436.368 5.102 40 0 IKABRN CCc1nn2c(ncc3c2ccn(CCC2=CCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397445 556639441 /nfs/dbraw/zinc/63/94/41/556639441.db2.gz VSORFTCQEYEXGH-UHFFFAOYSA-N 0 0 432.955 5.818 40 0 IKABRN CCc1nn2c(ncc3c2ccn(Cc2ccccc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397431 556639462 /nfs/dbraw/zinc/63/94/62/556639462.db2.gz QPBQDZLXXIXJBO-UHFFFAOYSA-N 0 0 449.341 5.629 40 0 IKABRN CCc1nn2c(ncc3c2ccn(CCc2ccccc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397437 556639481 /nfs/dbraw/zinc/63/94/81/556639481.db2.gz XUPLLVSHUZHSOE-UHFFFAOYSA-N 0 0 428.923 5.170 40 0 IKABRN CCOC(=O)C(C)(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757729 556639458 /nfs/dbraw/zinc/63/94/58/556639458.db2.gz QXQXWOSLTCBVBO-UHFFFAOYSA-N 0 0 431.561 5.830 40 0 IKABRN CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757746 556639483 /nfs/dbraw/zinc/63/94/83/556639483.db2.gz XPAKSDVBLIBQTH-OAHLLOKOSA-N 0 0 437.952 5.785 40 0 IKABRN CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757688 556639542 /nfs/dbraw/zinc/63/95/42/556639542.db2.gz LLIVPKUCYNONHY-OAQYLSRUSA-N 0 0 431.561 5.830 40 0 IKABRN CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)C(=O)OC ZINC000016757770 556639590 /nfs/dbraw/zinc/63/95/90/556639590.db2.gz GOPSBTPMLPIPHA-LJQANCHMSA-N 0 0 437.952 5.785 40 0 IKABRN Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 ZINC000016757806 556639603 /nfs/dbraw/zinc/63/96/03/556639603.db2.gz SKRFOSGEFSMRLT-UHFFFAOYSA-N 0 0 441.987 7.342 40 0 IKABRN CCc1nn2c(ncc3c2ccn([C@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397463 556639584 /nfs/dbraw/zinc/63/95/84/556639584.db2.gz QOGRGOCYMYDUNM-QYWGDWMGSA-N 0 0 434.971 5.924 40 0 IKABRN Cc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757790 556639647 /nfs/dbraw/zinc/63/96/47/556639647.db2.gz AIQQTZPDRZQYSY-UHFFFAOYSA-N 0 0 441.987 7.342 40 0 IKABRN COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758035 556639782 /nfs/dbraw/zinc/63/97/82/556639782.db2.gz XZRSHTYDGYAYJM-HNNXBMFYSA-N 0 0 437.952 5.703 40 0 IKABRN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Sc1cccc2cccnc21 ZINC000016768250 556640078 /nfs/dbraw/zinc/64/00/78/556640078.db2.gz LLZLTVQFXZJGCC-UHFFFAOYSA-N 0 0 426.497 5.083 40 0 IKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N(CCO)Cc2ccccc2)c1 ZINC000016768314 556640138 /nfs/dbraw/zinc/64/01/38/556640138.db2.gz SSGRGICMFHYVEG-UHFFFAOYSA-N 0 0 434.543 5.395 40 0 IKABRN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccccc3)cc21 ZINC000016779582 556641064 /nfs/dbraw/zinc/64/10/64/556641064.db2.gz HVRWLWUBWGNVBV-UHFFFAOYSA-N 0 0 432.545 5.559 40 0 IKABRN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000016779573 556641078 /nfs/dbraw/zinc/64/10/78/556641078.db2.gz UDCYERFPUMYJQU-UHFFFAOYSA-N 0 0 448.544 5.225 40 0 IKABRN Cc1ccc(-c2nnc(SCc3cccc(Br)c3)n2Cc2ccco2)cc1 ZINC000016788781 556641899 /nfs/dbraw/zinc/64/18/99/556641899.db2.gz GFCQHUXYWSSZJS-UHFFFAOYSA-N 0 0 440.366 5.950 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000016788730 556641942 /nfs/dbraw/zinc/64/19/42/556641942.db2.gz JXTZDFITSIZXRM-UHFFFAOYSA-N 0 0 444.560 5.236 40 0 IKABRN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 ZINC000016789081 556642150 /nfs/dbraw/zinc/64/21/50/556642150.db2.gz AHRWRSQZIXEENF-KRWDZBQOSA-N 0 0 436.625 6.024 40 0 IKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000016789332 556642161 /nfs/dbraw/zinc/64/21/61/556642161.db2.gz UKVPKPMRRLSEMM-UHFFFAOYSA-N 0 0 444.560 5.194 40 0 IKABRN Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccc(Cl)c1 ZINC000016789168 556642168 /nfs/dbraw/zinc/64/21/68/556642168.db2.gz UTRZUPZFRVXVHX-UHFFFAOYSA-N 0 0 427.744 5.173 40 0 IKABRN Cc1ccc(-n2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2Cl)cc1 ZINC000016789601 556642470 /nfs/dbraw/zinc/64/24/70/556642470.db2.gz XSNSUEWXNYTLEK-UHFFFAOYSA-N 0 0 446.428 6.827 40 0 IKABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000101012085 556643328 /nfs/dbraw/zinc/64/33/28/556643328.db2.gz LIEWMCGEEMYSGL-VJBWXMMDSA-N 0 0 432.907 5.008 40 0 IKABRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000040556441 556644639 /nfs/dbraw/zinc/64/46/39/556644639.db2.gz LFZYECPCRRZGOA-UHFFFAOYSA-N 0 0 440.516 6.322 40 0 IKABRN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2-c2ccccc2)cc1 ZINC000016807884 556644786 /nfs/dbraw/zinc/64/47/86/556644786.db2.gz DYYZPYCQTJYFLH-UHFFFAOYSA-N 0 0 444.560 5.291 40 0 IKABRN CC[C@@H](C)c1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000016903829 556648950 /nfs/dbraw/zinc/64/89/50/556648950.db2.gz QCXHBKVNFXHHIS-OAQYLSRUSA-N 0 0 447.623 5.868 40 0 IKABRN [NH3+][C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000016951200 556649864 /nfs/dbraw/zinc/64/98/64/556649864.db2.gz VUGRSCSBFOUEBX-SANMLTNESA-N 0 0 439.580 5.791 40 0 IKABRN Cc1nc2ccccc2[s+]c1-c1cnc(NC#N)nc1C(=O)Nc1cccc(Cl)c1 ZINC000016953534 556650052 /nfs/dbraw/zinc/65/00/52/556650052.db2.gz WLQCWNYNTLMJHU-UHFFFAOYSA-O 0 0 433.904 5.142 40 0 IKABRN O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000016953087 556650163 /nfs/dbraw/zinc/65/01/63/556650163.db2.gz LHWCSOURZKUQKJ-RGVLZGJSSA-N 0 0 442.733 6.451 40 0 IKABRN CCCCCCOP(=O)(OCCCCCC)[C@H](CCCCCC)C(=O)OCCCC ZINC000016969730 556651482 /nfs/dbraw/zinc/65/14/82/556651482.db2.gz RGERMSDJBXYYKJ-HSZRJFAPSA-N 0 0 448.625 8.056 40 0 IKABRN Cc1ccc(NC(=O)OC/C=C\c2ccccc2)cc1NC(=O)OC/C=C/c1ccccc1 ZINC000017024691 556653385 /nfs/dbraw/zinc/65/33/85/556653385.db2.gz GXZKRNGRSMDMBL-DJJIWSAGSA-N 0 0 442.515 6.519 40 0 IKABRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000101071414 556653475 /nfs/dbraw/zinc/65/34/75/556653475.db2.gz GWFDKPXTLMKEHJ-DYXWJJEUSA-N 0 0 439.298 5.045 40 0 IKABRN COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OCc1cccc(C)c1 ZINC000017086225 556657413 /nfs/dbraw/zinc/65/74/13/556657413.db2.gz BNDGNSIWSRIWOA-FYJGNVAPSA-N 0 0 433.891 5.581 40 0 IKABRN CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000017086209 556657481 /nfs/dbraw/zinc/65/74/81/556657481.db2.gz MVSTXZCFSVQGLB-KGENOOAVSA-N 0 0 445.446 5.097 40 0 IKABRN COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000017095125 556658657 /nfs/dbraw/zinc/65/86/57/556658657.db2.gz DFIZQMKDQAKYDS-UHFFFAOYSA-N 0 0 426.831 5.557 40 0 IKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1C(C)C ZINC000017095243 556658675 /nfs/dbraw/zinc/65/86/75/556658675.db2.gz BPVBLWGNVHCRON-UHFFFAOYSA-N 0 0 427.136 5.596 40 0 IKABRN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 ZINC000017095936 556659542 /nfs/dbraw/zinc/65/95/42/556659542.db2.gz VKXWXMDTWXAPFK-GOSISDBHSA-N 0 0 428.532 7.049 40 0 IKABRN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000017095935 556659558 /nfs/dbraw/zinc/65/95/58/556659558.db2.gz VKXWXMDTWXAPFK-SFHVURJKSA-N 0 0 428.532 7.049 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 ZINC000017095989 556659564 /nfs/dbraw/zinc/65/95/64/556659564.db2.gz YKHNYFMZVPJELW-UHFFFAOYSA-N 0 0 428.536 5.641 40 0 IKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 ZINC000017097854 556662324 /nfs/dbraw/zinc/66/23/24/556662324.db2.gz GLZYVVSOHNDROB-UHFFFAOYSA-N 0 0 432.348 6.059 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)nc2c1 ZINC000017097843 556662339 /nfs/dbraw/zinc/66/23/39/556662339.db2.gz VXXWMMLLXVOUFC-UHFFFAOYSA-N 0 0 432.348 6.005 40 0 IKABRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C(c1ccccc1)c1ccccc1 ZINC000017097925 556662508 /nfs/dbraw/zinc/66/25/08/556662508.db2.gz ZLJYYDWKNAFSBO-UHFFFAOYSA-N 0 0 432.479 5.258 40 0 IKABRN Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cccc1-c1nc2ccccc2s1 ZINC000017098777 556663778 /nfs/dbraw/zinc/66/37/78/556663778.db2.gz XNSZYZGHKIHHBZ-UHFFFAOYSA-N 0 0 434.389 6.220 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5ccccc54)cc3n2)cc1 ZINC000017098995 556664043 /nfs/dbraw/zinc/66/40/43/556664043.db2.gz UBMBVHSHXVAIEV-UHFFFAOYSA-N 0 0 434.543 6.477 40 0 IKABRN CCc1ccc2oc(-c3cc(NC(=O)c4c(OC)cccc4OC)ccc3Cl)nc2c1 ZINC000017100829 556665721 /nfs/dbraw/zinc/66/57/21/556665721.db2.gz ZYISHUDCOFMROU-UHFFFAOYSA-N 0 0 436.895 5.980 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)c(C)c1 ZINC000017101800 556666248 /nfs/dbraw/zinc/66/62/48/556666248.db2.gz JTTCFMARDXBUSV-UHFFFAOYSA-N 0 0 437.952 5.336 40 0 IKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 ZINC000017103169 556667197 /nfs/dbraw/zinc/66/71/97/556667197.db2.gz NXDKVMKFOOMXQR-UHFFFAOYSA-N 0 0 439.346 6.322 40 0 IKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4Cl)cc3n2)cc1 ZINC000017103171 556667201 /nfs/dbraw/zinc/66/72/01/556667201.db2.gz IDXLTOMSAHHAHW-UHFFFAOYSA-N 0 0 439.346 6.322 40 0 IKABRN Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1=O ZINC000013513647 556667324 /nfs/dbraw/zinc/66/73/24/556667324.db2.gz DNRSHPPENRRNNQ-PMVMPFDFSA-N 0 0 432.907 5.008 40 0 IKABRN Cc1nccn1Cc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000044786604 556667577 /nfs/dbraw/zinc/66/75/77/556667577.db2.gz AAQQOLGVFZNSSW-UHFFFAOYSA-N 0 0 434.392 5.210 40 0 IKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000044839748 556668441 /nfs/dbraw/zinc/66/84/41/556668441.db2.gz DDUHICLGOWCCFC-OAQYLSRUSA-N 0 0 432.372 7.295 40 0 IKABRN Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000044842380 556668609 /nfs/dbraw/zinc/66/86/09/556668609.db2.gz QZWSRRLFPKCGRX-UHFFFAOYSA-N 0 0 444.575 6.179 40 0 IKABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000044844382 556669067 /nfs/dbraw/zinc/66/90/67/556669067.db2.gz WALGNJDNJSXHDW-UHFFFAOYSA-N 0 0 446.981 5.256 40 0 IKABRN Cc1ccc([C@@H](NC(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC000044844671 556669153 /nfs/dbraw/zinc/66/91/53/556669153.db2.gz GCVUNWQEQOVGMB-QHCPKHFHSA-N 0 0 430.400 6.441 40 0 IKABRN Cc1ccc([C@H](NC(=O)COc2cc(C)c(Br)c(C)c2)c2ccccc2)cc1 ZINC000044847039 556669648 /nfs/dbraw/zinc/66/96/48/556669648.db2.gz KDVOJOISPYEVAX-XMMPIXPASA-N 0 0 438.365 5.659 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCCc4ccccc43)c2)cc1 ZINC000044848174 556669915 /nfs/dbraw/zinc/66/99/15/556669915.db2.gz SGHWGWCREOCIQZ-UHFFFAOYSA-N 0 0 440.952 5.042 40 0 IKABRN CC(C)(C)c1cc(/C=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000017146867 556669972 /nfs/dbraw/zinc/66/99/72/556669972.db2.gz AWUDLXWGQXPWFF-YPKPFQOOSA-N 0 0 436.680 8.458 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)c1C ZINC000044849408 556670209 /nfs/dbraw/zinc/67/02/09/556670209.db2.gz MMXXTJQTRAKXHS-GOSISDBHSA-N 0 0 440.540 5.043 40 0 IKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000044848715 556670216 /nfs/dbraw/zinc/67/02/16/556670216.db2.gz KORTVHSEVNVCLT-KRWDZBQOSA-N 0 0 425.981 6.522 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000044849017 556670233 /nfs/dbraw/zinc/67/02/33/556670233.db2.gz UAYUPTXZTKPTFC-UHFFFAOYSA-N 0 0 440.590 5.469 40 0 IKABRN CC(C)CC[C@@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCC(C)C)C(C)C)C(C)C ZINC000017147810 556670249 /nfs/dbraw/zinc/67/02/49/556670249.db2.gz JCJPBWVRHVLSJW-PSWAGMNNSA-N 0 0 446.672 7.417 40 0 IKABRN CCOc1ccc(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044851441 556670532 /nfs/dbraw/zinc/67/05/32/556670532.db2.gz QKGGEMJDWHNZCN-UHFFFAOYSA-N 0 0 449.422 5.353 40 0 IKABRN CC(C)Oc1ccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000044850529 556670555 /nfs/dbraw/zinc/67/05/55/556670555.db2.gz HEBGHPICKVSMLH-UHFFFAOYSA-N 0 0 449.616 6.008 40 0 IKABRN CCOc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044851439 556670571 /nfs/dbraw/zinc/67/05/71/556670571.db2.gz DRTUCZBONHOELV-UHFFFAOYSA-N 0 0 449.422 5.353 40 0 IKABRN CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000044851611 556670673 /nfs/dbraw/zinc/67/06/73/556670673.db2.gz HSOMZTISAIPAJV-UHFFFAOYSA-N 0 0 446.994 5.229 40 0 IKABRN Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044852571 556670738 /nfs/dbraw/zinc/67/07/38/556670738.db2.gz RCUKBULYLVQKDD-QGZVFWFLSA-N 0 0 435.395 5.098 40 0 IKABRN Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3c(F)cccc3Cl)CC1)CC(C)(C)O2 ZINC000044855247 556671357 /nfs/dbraw/zinc/67/13/57/556671357.db2.gz UIZCETYSAHVXGJ-JOCHJYFZSA-N 0 0 444.978 5.418 40 0 IKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000044855398 556671543 /nfs/dbraw/zinc/67/15/43/556671543.db2.gz NQMQUTISTNBXFG-JOCHJYFZSA-N 0 0 444.978 5.418 40 0 IKABRN COc1ccc(/C=C/C[C@H]2Cc3cc4c(cc3O[C@@H]2c2ccc(OC)cc2)OCO4)cc1 ZINC000017175607 556671757 /nfs/dbraw/zinc/67/17/57/556671757.db2.gz XJCYHVVLLSSJHZ-RRLLIVCOSA-N 0 0 430.500 5.828 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856516 556672231 /nfs/dbraw/zinc/67/22/31/556672231.db2.gz NUUOEDHJRNWRCX-HSZRJFAPSA-N 0 0 433.423 6.090 40 0 IKABRN COc1cc2c(cc1OC)[C@@]1(c3ccc(Cl)cc3)ON=C(c3ccccc3)N1CS2 ZINC000017216639 556673622 /nfs/dbraw/zinc/67/36/22/556673622.db2.gz SDDVFFLENOCXBC-HSZRJFAPSA-N 0 0 438.936 5.316 40 0 IKABRN COc1ccccc1[C@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017286432 556674478 /nfs/dbraw/zinc/67/44/78/556674478.db2.gz YMIRQPILRMRKAJ-YTTGMZPUSA-N 0 0 440.586 7.862 40 0 IKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000044884575 556675009 /nfs/dbraw/zinc/67/50/09/556675009.db2.gz VMHLSSXTESAJIZ-OAQYLSRUSA-N 0 0 444.383 6.734 40 0 IKABRN COc1ccc(S[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1OC ZINC000044900147 556676978 /nfs/dbraw/zinc/67/69/78/556676978.db2.gz FRTHPRRZUQYHSL-ZDUSSCGKSA-N 0 0 443.993 5.027 40 0 IKABRN Cc1ccccc1CSCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000044903285 556678656 /nfs/dbraw/zinc/67/86/56/556678656.db2.gz XVRRTOXJSQONQF-UHFFFAOYSA-N 0 0 437.630 5.829 40 0 IKABRN CCOc1ccc(CCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OCC ZINC000044903687 556679078 /nfs/dbraw/zinc/67/90/78/556679078.db2.gz MAVDBVNJZUULFC-UHFFFAOYSA-N 0 0 447.619 6.523 40 0 IKABRN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)cc1 ZINC000044904199 556679183 /nfs/dbraw/zinc/67/91/83/556679183.db2.gz HCEGQMRXWFELMY-NRFANRHFSA-N 0 0 449.016 5.094 40 0 IKABRN COc1ccc(SCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1OC ZINC000044904844 556679547 /nfs/dbraw/zinc/67/95/47/556679547.db2.gz ZELMDDLYLHLIDD-UHFFFAOYSA-N 0 0 446.421 5.152 40 0 IKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000044904461 556679619 /nfs/dbraw/zinc/67/96/19/556679619.db2.gz OKKKFYJKKXWRQT-MRXNPFEDSA-N 0 0 426.409 5.736 40 0 IKABRN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000044906083 556679766 /nfs/dbraw/zinc/67/97/66/556679766.db2.gz BXTHCURROLJOFM-QGZVFWFLSA-N 0 0 447.450 6.380 40 0 IKABRN O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000044906389 556680067 /nfs/dbraw/zinc/68/00/67/556680067.db2.gz YWKUYLMLCJGYGG-UHFFFAOYSA-N 0 0 439.814 5.608 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1C ZINC000044911682 556681010 /nfs/dbraw/zinc/68/10/10/556681010.db2.gz JJAZMPKSZSOAJR-UHFFFAOYSA-N 0 0 449.378 5.329 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000044912126 556681024 /nfs/dbraw/zinc/68/10/24/556681024.db2.gz IRKNKMIVDBNJDP-UHFFFAOYSA-N 0 0 449.378 5.329 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000044912118 556681041 /nfs/dbraw/zinc/68/10/41/556681041.db2.gz ZRNBMEQRYSFBLW-UHFFFAOYSA-N 0 0 449.378 5.329 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1C ZINC000044911676 556681046 /nfs/dbraw/zinc/68/10/46/556681046.db2.gz NPAUHTHFWNCOJW-UHFFFAOYSA-N 0 0 449.378 5.329 40 0 IKABRN O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000044917196 556681599 /nfs/dbraw/zinc/68/15/99/556681599.db2.gz XQCKWZIHBHTPKB-UHFFFAOYSA-N 0 0 447.406 6.166 40 0 IKABRN O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000044917206 556681636 /nfs/dbraw/zinc/68/16/36/556681636.db2.gz HLPKENAJASKRHE-UHFFFAOYSA-N 0 0 447.406 6.166 40 0 IKABRN CC(C)C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000044936871 556682715 /nfs/dbraw/zinc/68/27/15/556682715.db2.gz DOBNIDIQJPBOSL-QHCPKHFHSA-N 0 0 433.423 6.109 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(Cn4ccnc4)cc3)c2)cc1 ZINC000044938939 556683327 /nfs/dbraw/zinc/68/33/27/556683327.db2.gz RDFSLODSWUFOBS-UHFFFAOYSA-N 0 0 437.543 5.712 40 0 IKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000044949475 556684042 /nfs/dbraw/zinc/68/40/42/556684042.db2.gz IXJKBWRMOFLEOJ-SFHVURJKSA-N 0 0 448.868 6.567 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044949792 556684300 /nfs/dbraw/zinc/68/43/00/556684300.db2.gz WUHIBACDWILWSS-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000044950207 556684336 /nfs/dbraw/zinc/68/43/36/556684336.db2.gz OQICVFKHGNCGEO-SSOJOUAXSA-N 0 0 434.536 5.091 40 0 IKABRN C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000044950219 556684343 /nfs/dbraw/zinc/68/43/43/556684343.db2.gz OQICVFKHGNCGEO-NSYGIPOTSA-N 0 0 434.536 5.091 40 0 IKABRN Brc1ccc(Cc2nc3c(cc(Br)cc3Br)[nH]2)cc1 ZINC000226342887 556684473 /nfs/dbraw/zinc/68/44/73/556684473.db2.gz MJWKAAFIKGYICT-UHFFFAOYSA-N 0 0 444.952 5.441 40 0 IKABRN Brc1cccc(-c2nc3c(cc(Br)cc3Br)[nH]2)c1 ZINC000226343095 556684501 /nfs/dbraw/zinc/68/45/01/556684501.db2.gz MWGAMUDSKDGVCC-UHFFFAOYSA-N 0 0 430.925 5.517 40 0 IKABRN CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000226339787 556684514 /nfs/dbraw/zinc/68/45/14/556684514.db2.gz IGKKNJBOENRQSE-UHFFFAOYSA-N 0 0 438.532 6.165 40 0 IKABRN COc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N)cc3Br)o2)cc1Cl ZINC000227148318 556685673 /nfs/dbraw/zinc/68/56/73/556685673.db2.gz NGNJLVZEOPNVDN-WEVVVXLNSA-N 0 0 447.716 5.605 40 0 IKABRN CC(C)(C)c1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc(C(C)(C)C)c1O ZINC000408984985 556686342 /nfs/dbraw/zinc/68/63/42/556686342.db2.gz JXXNHKUNWPJAST-UHFFFAOYSA-N 0 0 438.637 7.024 40 0 IKABRN Cc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000408985367 556686841 /nfs/dbraw/zinc/68/68/41/556686841.db2.gz LPXNOIUJABQUJX-JOCHJYFZSA-N 0 0 449.595 5.562 40 0 IKABRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 ZINC000408985649 556687393 /nfs/dbraw/zinc/68/73/93/556687393.db2.gz OGFYJYFMRBROMI-GJZGRUSLSA-N 0 0 448.573 5.145 40 0 IKABRN COc1cccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)c1 ZINC000000779376 556693542 /nfs/dbraw/zinc/69/35/42/556693542.db2.gz MGJOIMRWOKDZFH-UHFFFAOYSA-N 0 0 447.541 5.667 40 0 IKABRN CC(C)(C)C(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)CC1 ZINC000019081088 556695782 /nfs/dbraw/zinc/69/57/82/556695782.db2.gz REHSIJXNOHCDRQ-DOTOQJQBSA-N 0 0 440.535 5.357 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1cccs1)N(Cc1ccc(Cl)cc1)C(=O)C(F)(F)F ZINC000000800164 556696041 /nfs/dbraw/zinc/69/60/41/556696041.db2.gz WUCPATQBYQPQEQ-QGZVFWFLSA-N 0 0 444.906 5.093 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000000800214 556696064 /nfs/dbraw/zinc/69/60/64/556696064.db2.gz XCMCWOHXWMTMON-INIZCTEOSA-N 0 0 430.879 5.097 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000000800215 556696069 /nfs/dbraw/zinc/69/60/69/556696069.db2.gz XCMCWOHXWMTMON-MRXNPFEDSA-N 0 0 430.879 5.097 40 0 IKABRN CC(C)(C)C(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 ZINC000019081261 556696109 /nfs/dbraw/zinc/69/61/09/556696109.db2.gz YIEFDCCMSNHBAZ-GOSISDBHSA-N 0 0 433.531 5.173 40 0 IKABRN CC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913427 556696086 /nfs/dbraw/zinc/69/60/86/556696086.db2.gz XRPYRCCVSZYAQT-WTHLBDDQSA-N 0 0 428.657 6.893 40 0 IKABRN CC(C)(C)C(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3ccncc3)n2)C1 ZINC000019081233 556696131 /nfs/dbraw/zinc/69/61/31/556696131.db2.gz ZBCPMIOUUOHQJK-SFHVURJKSA-N 0 0 433.531 5.173 40 0 IKABRN CC(=O)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913426 556696217 /nfs/dbraw/zinc/69/62/17/556696217.db2.gz XRPYRCCVSZYAQT-ZCSPFZDUSA-N 0 0 428.657 6.893 40 0 IKABRN Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c(C)c1 ZINC000000800052 556696332 /nfs/dbraw/zinc/69/63/32/556696332.db2.gz SUWBEXVGILQERW-LJQANCHMSA-N 0 0 438.515 5.450 40 0 IKABRN O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)Nc1ccc(Cl)cc1 ZINC000000801925 556696550 /nfs/dbraw/zinc/69/65/50/556696550.db2.gz YXOFPVARWOCLBC-UHFFFAOYSA-N 0 0 435.361 5.495 40 0 IKABRN O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccccc1N1CCOCC1 ZINC000000801932 556696583 /nfs/dbraw/zinc/69/65/83/556696583.db2.gz DRDAJDJOTVWRLH-UHFFFAOYSA-N 0 0 445.997 5.031 40 0 IKABRN Cc1ccc(CN(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000000800085 556696599 /nfs/dbraw/zinc/69/65/99/556696599.db2.gz ODMXXASRLXOXGO-LJQANCHMSA-N 0 0 438.515 5.138 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H](O)[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118932462 556696932 /nfs/dbraw/zinc/69/69/32/556696932.db2.gz 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O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000408999939 556710520 /nfs/dbraw/zinc/71/05/20/556710520.db2.gz UPAQQZAMVDKYNA-XMMPIXPASA-N 0 0 434.495 6.086 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000409001075 556711062 /nfs/dbraw/zinc/71/10/62/556711062.db2.gz GMRCIKOAOXGBCN-HSZRJFAPSA-N 0 0 434.923 5.351 40 0 IKABRN CCCCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1 ZINC000409004285 556713260 /nfs/dbraw/zinc/71/32/60/556713260.db2.gz PDHFSKVSUPBMFM-MOHJPFBDSA-N 0 0 441.483 5.429 40 0 IKABRN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(F)cc2)o1 ZINC000409007009 556713791 /nfs/dbraw/zinc/71/37/91/556713791.db2.gz MNWMGQONIGFAHM-JTQLQIEISA-N 0 0 442.299 5.386 40 0 IKABRN O=C1S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1CCc1ccccc1 ZINC000409008065 556714049 /nfs/dbraw/zinc/71/40/49/556714049.db2.gz VOOPMYBJHUGRHF-KQWNVCNZSA-N 0 0 449.959 6.198 40 0 IKABRN CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C(=O)O2)cc1 ZINC000409008814 556714053 /nfs/dbraw/zinc/71/40/53/556714053.db2.gz KGWCMJBVGJZWHY-HAHDFKILSA-N 0 0 443.499 5.326 40 0 IKABRN Cc1nccn1C[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000019220115 556714357 /nfs/dbraw/zinc/71/43/57/556714357.db2.gz OCZILPKVJXUIBB-DENIHFKCSA-N 0 0 441.579 5.086 40 0 IKABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@H](C)n4cccn4)C3)c(-c3ccncc3)c2c1 ZINC000019220175 556714679 /nfs/dbraw/zinc/71/46/79/556714679.db2.gz XKPNINLRIRRADH-FPOVZHCZSA-N 0 0 427.552 5.092 40 0 IKABRN COc1coc(C(=O)N2CCC[C@H](c3[nH]c4ccc(C)cc4c3-c3ccncc3)C2)c1OC ZINC000019220266 556714697 /nfs/dbraw/zinc/71/46/97/556714697.db2.gz XNNITUJUBCEXMU-SFHVURJKSA-N 0 0 445.519 5.168 40 0 IKABRN COCc1ccc(C(=O)N2CCC[C@H](c3[nH]c4ccc(C)cc4c3-c3ccncc3)C2)cc1 ZINC000019220278 556714705 /nfs/dbraw/zinc/71/47/05/556714705.db2.gz IHEYMKVZVAAKMD-QHCPKHFHSA-N 0 0 439.559 5.705 40 0 IKABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@@H](C)n4cccn4)C3)c(-c3ccncc3)c2c1 ZINC000019220178 556714740 /nfs/dbraw/zinc/71/47/40/556714740.db2.gz XKPNINLRIRRADH-CTNGQTDRSA-N 0 0 427.552 5.092 40 0 IKABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cc(C(C)C)nn4C)C3)c(-c3ccncc3)c2c1 ZINC000019220272 556714759 /nfs/dbraw/zinc/71/47/59/556714759.db2.gz NJJADLMIESRWEH-FQEVSTJZSA-N 0 0 441.579 5.415 40 0 IKABRN COCc1ccc(C(=O)N2CCC[C@@H](c3[nH]c4ccc(C)cc4c3-c3ccncc3)C2)cc1 ZINC000019220275 556714765 /nfs/dbraw/zinc/71/47/65/556714765.db2.gz IHEYMKVZVAAKMD-HSZRJFAPSA-N 0 0 439.559 5.705 40 0 IKABRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O ZINC000409011826 556715468 /nfs/dbraw/zinc/71/54/68/556715468.db2.gz HZXWWTSRWIZFGR-ZRRZQRFHSA-N 0 0 428.348 5.080 40 0 IKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1Cl ZINC000409011508 556715651 /nfs/dbraw/zinc/71/56/51/556715651.db2.gz GVCVLOSOCAKLRD-QAIWHXNASA-N 0 0 445.968 5.941 40 0 IKABRN Cc1ccc2cccc(NC(=O)c3cc([C@H]4CCCN(C(=O)C5CCCCC5)C4)no3)c2n1 ZINC000019234323 556718535 /nfs/dbraw/zinc/71/85/35/556718535.db2.gz YBIQCONSWSZKPH-FQEVSTJZSA-N 0 0 446.551 5.070 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000409016733 556720264 /nfs/dbraw/zinc/72/02/64/556720264.db2.gz VNKSSCCLQRKNDH-YRIIZNAFSA-N 0 0 446.906 5.148 40 0 IKABRN COCc1ccc(C(=O)N2CCC[C@@H](c3[nH]c4c(cccc4C)c3-c3ccncc3)C2)o1 ZINC000019236544 556721244 /nfs/dbraw/zinc/72/12/44/556721244.db2.gz WQYVGXDIYNFJOO-LJQANCHMSA-N 0 0 429.520 5.298 40 0 IKABRN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000000848994 556721436 /nfs/dbraw/zinc/72/14/36/556721436.db2.gz AFJMDPZRUJLZQF-UHFFFAOYSA-N 0 0 449.297 6.240 40 0 IKABRN Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000019236858 556721465 /nfs/dbraw/zinc/72/14/65/556721465.db2.gz BDULMTXJSHMADV-VWLOTQADSA-N 0 0 435.518 5.052 40 0 IKABRN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c3n2)cc1 ZINC000000848659 556721678 /nfs/dbraw/zinc/72/16/78/556721678.db2.gz NIFKAXCGKLSTGD-UHFFFAOYSA-N 0 0 448.807 5.768 40 0 IKABRN COc1cc(Br)c(Nc2nc(-c3ccccn3)cs2)c(Br)c1 ZINC000000853335 556722295 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556833725 /nfs/dbraw/zinc/83/37/25/556833725.db2.gz VOZDIIPQWMXHNL-UHFFFAOYSA-N 0 0 442.371 6.445 40 0 IKABRN CCCCOC(=O)c1cc(-c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)o2)ccc1Cl ZINC000006480702 556833767 /nfs/dbraw/zinc/83/37/67/556833767.db2.gz JMNKAGVBUCDPIN-RCCKNPSSSA-N 0 0 449.890 5.901 40 0 IKABRN Oc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1 ZINC000006474908 556833777 /nfs/dbraw/zinc/83/37/77/556833777.db2.gz SBJAIBUOMMFLGF-UHFFFAOYSA-N 0 0 428.344 6.239 40 0 IKABRN Fc1cccc(Cl)c1CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000006474867 556833838 /nfs/dbraw/zinc/83/38/38/556833838.db2.gz DSOWAZRCAUHVOV-UHFFFAOYSA-N 0 0 430.335 6.673 40 0 IKABRN Cc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000006407307 556834485 /nfs/dbraw/zinc/83/44/85/556834485.db2.gz PEEJRTKTLZHGAV-HSZRJFAPSA-N 0 0 433.433 6.154 40 0 IKABRN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)C2CCCCC2)cc1 ZINC000006406961 556834572 /nfs/dbraw/zinc/83/45/72/556834572.db2.gz AIVFDNIZKNVMIG-UHFFFAOYSA-N 0 0 433.577 5.810 40 0 IKABRN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccc(C)cc2)cc1 ZINC000006406873 556834580 /nfs/dbraw/zinc/83/45/80/556834580.db2.gz XVCTXDHAZRJIHB-UHFFFAOYSA-N 0 0 441.556 5.586 40 0 IKABRN Cc1ccc2cc3c(N)c(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)sc3nc2c1 ZINC000006442072 556835591 /nfs/dbraw/zinc/83/55/91/556835591.db2.gz TXMNRRQQYLHQKE-UHFFFAOYSA-N 0 0 435.858 6.265 40 0 IKABRN Cc1cccc(NC(=S)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCCC2)c1 ZINC000006442448 556836041 /nfs/dbraw/zinc/83/60/41/556836041.db2.gz PVDMACAZYASLRT-UHFFFAOYSA-N 0 0 449.576 5.097 40 0 IKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000019637777 556836119 /nfs/dbraw/zinc/83/61/19/556836119.db2.gz JFVASLLGWCEVJA-UHFFFAOYSA-N 0 0 443.355 6.596 40 0 IKABRN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(C2CCCCC2)n1-c1ccccc1 ZINC000006443399 556836242 /nfs/dbraw/zinc/83/62/42/556836242.db2.gz LQOIVSBVTWTZRL-IBGZPJMESA-N 0 0 434.609 6.051 40 0 IKABRN CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1 ZINC000006510950 556836465 /nfs/dbraw/zinc/83/64/65/556836465.db2.gz UGSKXMJKZPGTJT-UHFFFAOYSA-N 0 0 445.950 5.676 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4)cc3n2)cc1 ZINC000019638931 556836727 /nfs/dbraw/zinc/83/67/27/556836727.db2.gz JRTQMZIVSBXIMY-UHFFFAOYSA-N 0 0 443.576 5.198 40 0 IKABRN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c(C)cccc23)cc1 ZINC000006601138 556837959 /nfs/dbraw/zinc/83/79/59/556837959.db2.gz PMHLAMZNGYJMKA-UHFFFAOYSA-N 0 0 429.545 5.735 40 0 IKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)C(Cl)(Cl)Cl)cc3n2)cc1 ZINC000019644191 556839036 /nfs/dbraw/zinc/83/90/36/556839036.db2.gz PSIYWTBNXSKAMH-UHFFFAOYSA-N 0 0 446.165 5.725 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3n2)cc1 ZINC000019644389 556839160 /nfs/dbraw/zinc/83/91/60/556839160.db2.gz NQQFLROKFCPICD-UHFFFAOYSA-N 0 0 446.379 5.239 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)nc2c(OC)cccc12 ZINC000006860429 556839592 /nfs/dbraw/zinc/83/95/92/556839592.db2.gz HIFXUNOHDYTVOV-UHFFFAOYSA-N 0 0 443.572 5.907 40 0 IKABRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCc3c(F)cccc3Cl)c2c1 ZINC000006844284 556839684 /nfs/dbraw/zinc/83/96/84/556839684.db2.gz SDGXGCGORCWFNZ-UHFFFAOYSA-N 0 0 426.919 7.083 40 0 IKABRN COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409128779 556839706 /nfs/dbraw/zinc/83/97/06/556839706.db2.gz UGUQBIYDANNSRK-VCHYOVAHSA-N 0 0 438.332 5.255 40 0 IKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1CC1CCCCC1 ZINC000409129758 556840602 /nfs/dbraw/zinc/84/06/02/556840602.db2.gz UQFVOILUNOFJMB-HYARGMPZSA-N 0 0 425.525 6.021 40 0 IKABRN O=C1S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1CC1CCCCC1 ZINC000409130006 556840686 /nfs/dbraw/zinc/84/06/86/556840686.db2.gz HYYNTRSSAIFOKJ-LDADJPATSA-N 0 0 439.562 5.924 40 0 IKABRN COc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccccc3Cl)n2)cc1 ZINC000007060311 556840812 /nfs/dbraw/zinc/84/08/12/556840812.db2.gz CLXHINGQNPWLQZ-UHFFFAOYSA-N 0 0 448.975 6.362 40 0 IKABRN COc1ccc(Cc2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)cc1 ZINC000006973642 556840906 /nfs/dbraw/zinc/84/09/06/556840906.db2.gz VYWCIMWKAUSGEK-UHFFFAOYSA-N 0 0 443.613 5.255 40 0 IKABRN COc1ccc([C@H]2CC(=Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000007059993 556840923 /nfs/dbraw/zinc/84/09/23/556840923.db2.gz BAZZPSFUODTXCF-JOCHJYFZSA-N 0 0 425.315 6.086 40 0 IKABRN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1c(F)c(F)c(F)c(F)c1F ZINC000019648436 556841348 /nfs/dbraw/zinc/84/13/48/556841348.db2.gz JGOGNEMJNAHJIS-UHFFFAOYSA-N 0 0 449.198 5.520 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4Cl)cc3n2)cc1 ZINC000019648334 556841356 /nfs/dbraw/zinc/84/13/56/556841356.db2.gz ZWIRINNNEDSIRK-UHFFFAOYSA-N 0 0 448.954 5.742 40 0 IKABRN CC1=C(C(=O)OC(C)C)C(c2ccc(Cl)c(Cl)c2)C(C(=O)OC(C)C)=C(C)N1 ZINC000019680817 556841577 /nfs/dbraw/zinc/84/15/77/556841577.db2.gz QVQAWOYCALNDPW-UHFFFAOYSA-N 0 0 426.340 5.131 40 0 IKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 ZINC000019687095 556841920 /nfs/dbraw/zinc/84/19/20/556841920.db2.gz DJIAULNPZMWXHD-QFIPXVFZSA-N 0 0 446.513 5.275 40 0 IKABRN O=C(CC[C@@H]1CCCO1)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000019687369 556841983 /nfs/dbraw/zinc/84/19/83/556841983.db2.gz ZVECGSJWWMRNOQ-QFIPXVFZSA-N 0 0 446.513 5.356 40 0 IKABRN COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003135904 556842007 /nfs/dbraw/zinc/84/20/07/556842007.db2.gz MRKYRNTXWBMAHR-UHFFFAOYSA-N 0 0 443.425 5.919 40 0 IKABRN Cc1nc2cc(C(=O)N3CCC[C@H]3c3ccc(Cc4ccc(Cl)cc4)cn3)ccc2n1C ZINC000019687928 556842465 /nfs/dbraw/zinc/84/24/65/556842465.db2.gz AHEPHJIOVXMCGB-VWLOTQADSA-N 0 0 444.966 5.498 40 0 IKABRN CC(C)c1nc2cc(C(=O)N3CCC[C@@H]3c3ccc(Cc4ccc(F)cc4)cn3)ccc2[nH]1 ZINC000019688528 556843107 /nfs/dbraw/zinc/84/31/07/556843107.db2.gz IRLGLUHUQQITHT-RUZDIDTESA-N 0 0 442.538 5.789 40 0 IKABRN Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000019688547 556843382 /nfs/dbraw/zinc/84/33/82/556843382.db2.gz CWTNKKLJVJKUCF-QFIPXVFZSA-N 0 0 443.469 5.202 40 0 IKABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000019688544 556843497 /nfs/dbraw/zinc/84/34/97/556843497.db2.gz CWTNKKLJVJKUCF-JOCHJYFZSA-N 0 0 443.469 5.202 40 0 IKABRN CN(C(=O)c1cccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1)C1CCCCC1 ZINC000008680010 556844542 /nfs/dbraw/zinc/84/45/42/556844542.db2.gz ALYAOXJHOKHNAP-UHFFFAOYSA-N 0 0 444.535 5.063 40 0 IKABRN O=C(Cc1ccsc1)N(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000008687011 556845035 /nfs/dbraw/zinc/84/50/35/556845035.db2.gz MESLEGRAQKZXDF-VWLOTQADSA-N 0 0 432.589 5.514 40 0 IKABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](OC)CC(=O)O3)[C@H]21 ZINC000067665425 556845979 /nfs/dbraw/zinc/84/59/79/556845979.db2.gz OLSYISKGDWQZSZ-DETUFGJMSA-N 0 0 432.601 5.240 40 0 in-vitro IKABRN CCO[C@H]1CC(=O)O[C@H](CC[C@H]2[C@@H](C)C=CC3=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@H]32)C1 ZINC000067665403 556845986 /nfs/dbraw/zinc/84/59/86/556845986.db2.gz YVEQEBOMQFZSIT-IVIOQTJTSA-N 0 0 446.628 5.630 40 0 in-vitro IKABRN CCOCc1ccc(C(=O)N2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1 ZINC000019690344 556846146 /nfs/dbraw/zinc/84/61/46/556846146.db2.gz SQKVALLCMVQRRQ-DEOSSOPVSA-N 0 0 432.539 5.368 40 0 IKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1ccccc1Cl ZINC000008788507 556846408 /nfs/dbraw/zinc/84/64/08/556846408.db2.gz GAEYBCFTAPMQGK-UHFFFAOYSA-N 0 0 446.384 6.396 40 0 IKABRN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@@H]2c1cccc(NC(=O)c2cccs2)c1 ZINC000008783015 556846450 /nfs/dbraw/zinc/84/64/50/556846450.db2.gz JYQQAGGPXAPCLP-OSWQYVSFSA-N 0 0 449.572 6.163 40 0 IKABRN Cc1ccc(CN(c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000409133346 556846709 /nfs/dbraw/zinc/84/67/09/556846709.db2.gz SNCNYWSLNSCPHS-UHFFFAOYSA-N 0 0 436.577 5.337 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000408771449 556846916 /nfs/dbraw/zinc/84/69/16/556846916.db2.gz GMXHZPGJEBZWCX-AREMUKBSSA-N 0 0 430.573 5.837 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000408771452 556846955 /nfs/dbraw/zinc/84/69/55/556846955.db2.gz GMXHZPGJEBZWCX-SANMLTNESA-N 0 0 430.573 5.837 40 0 IKABRN Cc1ncsc1C(=O)N1CCC(c2cc(Cc3ccc(Cl)cc3)cc(C)n2)CC1 ZINC000019691562 556847093 /nfs/dbraw/zinc/84/70/93/556847093.db2.gz MDSLYLGUGWLQLL-UHFFFAOYSA-N 0 0 425.985 5.419 40 0 IKABRN Cc1nc(C)c(C(=O)N2CCC(c3cc(Cc4c(F)cccc4F)cc(C)n3)CC2)s1 ZINC000019691662 556847096 /nfs/dbraw/zinc/84/70/96/556847096.db2.gz XPGIOOVIISSWQY-UHFFFAOYSA-N 0 0 441.547 5.352 40 0 IKABRN O=C(CSCc1cccc(Br)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000408769581 556847130 /nfs/dbraw/zinc/84/71/30/556847130.db2.gz VZPCASQVFOHQLG-UHFFFAOYSA-N 0 0 440.406 5.911 40 0 IKABRN Cc1cc(C)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000409133641 556847247 /nfs/dbraw/zinc/84/72/47/556847247.db2.gz NPCGIBWMMUFFOY-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN Cc1noc(C)c1CC(=O)N1CCC(c2cc(Cc3ccc(Cl)cc3)cc(C)n2)CC1 ZINC000019691739 556847480 /nfs/dbraw/zinc/84/74/80/556847480.db2.gz OXDVZXQPOOWXNK-UHFFFAOYSA-N 0 0 437.971 5.188 40 0 IKABRN COCc1ccc(C(=O)N2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)cc1 ZINC000019691837 556847608 /nfs/dbraw/zinc/84/76/08/556847608.db2.gz FDHLPCNJJSOKFE-UHFFFAOYSA-N 0 0 432.539 5.286 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1 ZINC000408774192 556848124 /nfs/dbraw/zinc/84/81/24/556848124.db2.gz BVDLQJJXJOAZRT-HVUZKSCUSA-N 0 0 438.637 6.149 40 0 IKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1 ZINC000408774195 556848165 /nfs/dbraw/zinc/84/81/65/556848165.db2.gz BVDLQJJXJOAZRT-VNSJDZJPSA-N 0 0 438.637 6.149 40 0 IKABRN Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)c2nc3cc(F)ccc3[nH]2)n1 ZINC000019692077 556848261 /nfs/dbraw/zinc/84/82/61/556848261.db2.gz UQNGGBUVYVJQRE-DEOSSOPVSA-N 0 0 428.511 5.282 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)S2)cc1 ZINC000408775307 556848779 /nfs/dbraw/zinc/84/87/79/556848779.db2.gz SBMXJLVZWDWVPH-LWUPDDLQSA-N 0 0 434.536 5.567 40 0 IKABRN COc1ccc(CCN2C(=O)c3[nH]c4ccccc4c3C[C@@H]2c2ccccc2)cc1OC ZINC000068605336 556849109 /nfs/dbraw/zinc/84/91/09/556849109.db2.gz DUUXQDMRPWLUGK-HSZRJFAPSA-N 0 0 426.516 5.167 40 0 IKABRN Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000008892274 556850999 /nfs/dbraw/zinc/85/09/99/556850999.db2.gz HLYDHNXXNZTLMP-XZOQPEGZSA-N 0 0 447.325 5.798 40 0 IKABRN COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)cc1 ZINC000019695263 556851717 /nfs/dbraw/zinc/85/17/17/556851717.db2.gz QYYUKMAGRCIJOY-QFIPXVFZSA-N 0 0 448.611 5.061 40 0 IKABRN CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c(C2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000019695255 556851749 /nfs/dbraw/zinc/85/17/49/556851749.db2.gz KZEOCIQEKQZADN-UHFFFAOYSA-N 0 0 446.517 5.125 40 0 IKABRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc32)cc1Cl ZINC000008926552 556852430 /nfs/dbraw/zinc/85/24/30/556852430.db2.gz FHNGPPRBWIZEBI-UHFFFAOYSA-N 0 0 437.927 6.129 40 0 IKABRN O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)Nc1ccc(Cl)cc1 ZINC000008926554 556852472 /nfs/dbraw/zinc/85/24/72/556852472.db2.gz DJWXJWRSXZBTSU-UHFFFAOYSA-N 0 0 440.355 6.334 40 0 IKABRN COc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1OC ZINC000008934846 556852716 /nfs/dbraw/zinc/85/27/16/556852716.db2.gz UNSJKBXHWYARIG-UHFFFAOYSA-N 0 0 447.516 5.211 40 0 IKABRN O=C(Oc1cccc2cc(OC(=O)[C@H]3C[C@@H]3c3ccccc3)ccc21)[C@@H]1C[C@@H]1c1ccccc1 ZINC000008935050 556852783 /nfs/dbraw/zinc/85/27/83/556852783.db2.gz VCVLKSXOJNCUEV-JVYGEBFASA-N 0 0 448.518 6.258 40 0 IKABRN CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccnc3ccccc23)CCO1 ZINC000019696786 556853799 /nfs/dbraw/zinc/85/37/99/556853799.db2.gz UWJOUIUVXBZGRX-JOCHJYFZSA-N 0 0 445.588 5.161 40 0 IKABRN O=C1S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1CC1CCCCC1 ZINC000409137387 556854315 /nfs/dbraw/zinc/85/43/15/556854315.db2.gz WXEDCYQKPYTIRI-UNOMPAQXSA-N 0 0 446.366 6.326 40 0 IKABRN CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccc3ncccc3c2)CCO1 ZINC000019697685 556855267 /nfs/dbraw/zinc/85/52/67/556855267.db2.gz ZCIQFQWSQRMYKS-JOCHJYFZSA-N 0 0 445.588 5.161 40 0 IKABRN CCCCOc1ccc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)c2ccccc12 ZINC000408797154 556857621 /nfs/dbraw/zinc/85/76/21/556857621.db2.gz GKNXPUUHJNPMOO-UHFFFAOYSA-N 0 0 447.580 6.099 40 0 IKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1Nc1ccccc1 ZINC000408801699 556858633 /nfs/dbraw/zinc/85/86/33/556858633.db2.gz WYDCEKGRICSTCZ-GUHZEUAUSA-N 0 0 427.977 6.100 40 0 IKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 ZINC000408806482 556858961 /nfs/dbraw/zinc/85/89/61/556858961.db2.gz JIIMQNZECXEBLS-UHFFFAOYSA-N 0 0 431.537 5.346 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC ZINC000408806783 556859206 /nfs/dbraw/zinc/85/92/06/556859206.db2.gz BGEOUQUZGSBINZ-WJDWOHSUSA-N 0 0 434.311 5.097 40 0 IKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Br)o2)SC1Nc1ccccc1 ZINC000408805273 556860764 /nfs/dbraw/zinc/86/07/64/556860764.db2.gz FQVRACSWTVJASK-WUBQLMRTSA-N 0 0 446.390 6.096 40 0 IKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Br)o2)SC1Nc1ccccc1 ZINC000408805271 556860852 /nfs/dbraw/zinc/86/08/52/556860852.db2.gz FQVRACSWTVJASK-KXJMADJESA-N 0 0 446.390 6.096 40 0 IKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OC)c3ccccc23)S1 ZINC000408808672 556861577 /nfs/dbraw/zinc/86/15/77/556861577.db2.gz JYGDNVWMGFZGLM-UHFFFAOYSA-N 0 0 425.917 5.273 40 0 IKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)S1 ZINC000408810644 556862517 /nfs/dbraw/zinc/86/25/17/556862517.db2.gz JJLMCMLBPGDLDB-UHFFFAOYSA-N 0 0 449.527 5.485 40 0 IKABRN CC(C)COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408812701 556862966 /nfs/dbraw/zinc/86/29/66/556862966.db2.gz PIDBFCCJPLMHQV-FZFSVLIYSA-N 0 0 449.640 6.775 40 0 IKABRN Cc1[nH]c2ccccc2c1/C=C1\SC(Nc2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408816208 556863659 /nfs/dbraw/zinc/86/36/59/556863659.db2.gz XYZBWDQPYARYBS-PMMNQCRDSA-N 0 0 430.597 6.530 40 0 IKABRN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408817026 556863962 /nfs/dbraw/zinc/86/39/62/556863962.db2.gz MPANQZYQYDCJOY-HAHDFKILSA-N 0 0 431.513 5.824 40 0 IKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1Nc1ccccc1 ZINC000408818582 556864595 /nfs/dbraw/zinc/86/45/95/556864595.db2.gz XHSCPYMUNALICH-HETFKXARSA-N 0 0 433.641 7.038 40 0 IKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1OC ZINC000408813788 556865073 /nfs/dbraw/zinc/86/50/73/556865073.db2.gz OVRYUPCMNBFZND-PPMVFUOKSA-N 0 0 437.585 5.758 40 0 IKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1Nc1ccccc1 ZINC000408819839 556865755 /nfs/dbraw/zinc/86/57/55/556865755.db2.gz UFOCICRTZRJXMD-QQDVTPPBSA-N 0 0 430.597 6.232 40 0 IKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1Nc1ccccc1 ZINC000408819838 556865766 /nfs/dbraw/zinc/86/57/66/556865766.db2.gz UFOCICRTZRJXMD-PMYYKUPUSA-N 0 0 430.597 6.232 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408821490 556866186 /nfs/dbraw/zinc/86/61/86/556866186.db2.gz ICJGIRZRPZZWIF-BOPFTXTBSA-N 0 0 448.338 5.093 40 0 IKABRN Cc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408827106 556866436 /nfs/dbraw/zinc/86/64/36/556866436.db2.gz CJGAFBUUFHABBV-UHFFFAOYSA-N 0 0 442.165 6.440 40 0 IKABRN O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc(Br)o1 ZINC000408841951 556867784 /nfs/dbraw/zinc/86/77/84/556867784.db2.gz HJDWISPFLOCMNV-UXBLZVDNSA-N 0 0 443.105 5.908 40 0 IKABRN COc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2sc3ccccc3c2Cl)cc1 ZINC000408845342 556868624 /nfs/dbraw/zinc/86/86/24/556868624.db2.gz WBNQXHNHUMYFGP-XMHGGMMESA-N 0 0 445.931 5.793 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000409137729 556869835 /nfs/dbraw/zinc/86/98/35/556869835.db2.gz XCOXCYXGWITCPN-WCRPCQDQSA-N 0 0 439.342 6.136 40 0 IKABRN Cc1ccc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)cc1 ZINC000408848743 556870308 /nfs/dbraw/zinc/87/03/08/556870308.db2.gz YDGACHROLONFIG-RIYZIHGNSA-N 0 0 432.726 5.970 40 0 IKABRN Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc(Br)cc4)C(=O)O3)sc2c1 ZINC000408849236 556870310 /nfs/dbraw/zinc/87/03/10/556870310.db2.gz ZFCFZASOOGIDAR-NTEUORMPSA-N 0 0 432.726 5.970 40 0 IKABRN COc1cc(OC)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br ZINC000409137924 556873140 /nfs/dbraw/zinc/87/31/40/556873140.db2.gz YORVBTVQKBXQIC-RQZCQDPDSA-N 0 0 440.359 5.083 40 0 IKABRN Cc1cc(-c2ccc(/C=C3\NC(=S)N(c4ccccc4)C3=O)o2)ccc1Br ZINC000409139353 556873331 /nfs/dbraw/zinc/87/33/31/556873331.db2.gz ALCJSFLGNGXRDA-PDGQHHTCSA-N 0 0 439.334 5.280 40 0 IKABRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C1CCCC1 ZINC000409142651 556873530 /nfs/dbraw/zinc/87/35/30/556873530.db2.gz AQUYSKNYSWJCRW-JAIQZWGSSA-N 0 0 449.403 6.763 40 0 IKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1CCCc1ccccc1 ZINC000409139581 556873568 /nfs/dbraw/zinc/87/35/68/556873568.db2.gz BMGBNNZKQHZIPC-JJIBRWJFSA-N 0 0 447.531 6.074 40 0 IKABRN CCOc1cc(C[C@@H]2SC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409144309 556873921 /nfs/dbraw/zinc/87/39/21/556873921.db2.gz XWRKOHXCKAYUQG-SFHVURJKSA-N 0 0 437.920 5.083 40 0 IKABRN O=C1S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1CC1CCCCC1 ZINC000409146943 556874675 /nfs/dbraw/zinc/87/46/75/556874675.db2.gz LVXZATZDSXRZLQ-ZVHZXABRSA-N 0 0 448.563 6.445 40 0 IKABRN O=C(NCCC1=CCCCC1)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000409148014 556875408 /nfs/dbraw/zinc/87/54/08/556875408.db2.gz XTKJGIQVPRATHI-UHFFFAOYSA-N 0 0 446.532 5.109 40 0 IKABRN O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1CC1CCCCC1 ZINC000409148772 556875455 /nfs/dbraw/zinc/87/54/55/556875455.db2.gz RMLQEEWQKFPMOF-HYARGMPZSA-N 0 0 425.525 6.021 40 0 IKABRN COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000409148530 556875630 /nfs/dbraw/zinc/87/56/30/556875630.db2.gz ZFQZDNRMJCDLFK-OQLLNIDSSA-N 0 0 442.718 5.045 40 0 IKABRN COc1ccc(Br)cc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O ZINC000409149057 556875680 /nfs/dbraw/zinc/87/56/80/556875680.db2.gz WORBZJVSHQIWTK-QGOAFFKASA-N 0 0 432.339 5.127 40 0 IKABRN O=C(CSCc1ccccc1Br)NCCSCc1cccc(Cl)c1 ZINC000408875611 556876364 /nfs/dbraw/zinc/87/63/64/556876364.db2.gz KQLLXDYXXGNARP-UHFFFAOYSA-N 0 0 444.847 5.385 40 0 IKABRN O=C([O-])c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408882080 556878470 /nfs/dbraw/zinc/87/84/70/556878470.db2.gz PFANPKNMMZLIFN-UHFFFAOYSA-N 0 0 428.532 5.092 40 0 IKABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000409152234 556878521 /nfs/dbraw/zinc/87/85/21/556878521.db2.gz DPNJKZDJJFQOSH-BXUJETTOSA-N 0 0 446.366 5.863 40 0 IKABRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c1 ZINC000409153143 556878527 /nfs/dbraw/zinc/87/85/27/556878527.db2.gz HGVLWMPSZRKZKU-YBFXNURJSA-N 0 0 426.563 5.207 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 ZINC000409154908 556879423 /nfs/dbraw/zinc/87/94/23/556879423.db2.gz KVBVQCYLTVCDKX-UHFFFAOYSA-N 0 0 447.944 5.165 40 0 IKABRN c1csc(-c2cc(-c3nn4c(CN5CCCCCC5)nnc4s3)c3ccccc3n2)c1 ZINC000071260621 556879842 /nfs/dbraw/zinc/87/98/42/556879842.db2.gz BZQMTTPFFLJNNE-UHFFFAOYSA-N 0 0 446.605 5.506 40 0 IKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1C ZINC000409155852 556879994 /nfs/dbraw/zinc/87/99/94/556879994.db2.gz DMBCHXXGWHUQNW-RQZCQDPDSA-N 0 0 435.332 5.285 40 0 IKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc(F)c3C)n2C)c1 ZINC000409156917 556880329 /nfs/dbraw/zinc/88/03/29/556880329.db2.gz HHMSMGSOPPNZRM-UHFFFAOYSA-N 0 0 442.560 5.004 40 0 IKABRN CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc(C(F)(F)F)c12 ZINC000019742330 556886186 /nfs/dbraw/zinc/88/61/86/556886186.db2.gz QUYPKKFWZMSKBM-OAHLLOKOSA-N 0 0 437.510 5.083 40 0 IKABRN Cc1nn(-c2ccccn2)c2nc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)ccc12 ZINC000019742424 556886427 /nfs/dbraw/zinc/88/64/27/556886427.db2.gz KDACQCQSHMSZCE-QFIPXVFZSA-N 0 0 445.954 5.074 40 0 IKABRN Cc1nn(-c2ccccn2)c2nc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)ccc12 ZINC000019742426 556886465 /nfs/dbraw/zinc/88/64/65/556886465.db2.gz KDACQCQSHMSZCE-JOCHJYFZSA-N 0 0 445.954 5.074 40 0 IKABRN CC(C)c1cc(Br)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000408911419 556888234 /nfs/dbraw/zinc/88/82/34/556888234.db2.gz JLIXNDVIHFJAPU-LLVKDONJSA-N 0 0 431.157 6.285 40 0 IKABRN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000071804371 556888372 /nfs/dbraw/zinc/88/83/72/556888372.db2.gz HHFJYKNYKGVWKK-UHFFFAOYSA-N 0 0 427.479 5.110 40 0 IKABRN Cc1ccc(Cn2c(=O)c3ccccc3nc2S[C@@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000036247894 556888660 /nfs/dbraw/zinc/88/86/60/556888660.db2.gz NYCDSYQGKJMODO-UFYCRDLUSA-N 0 0 449.620 5.023 40 0 IKABRN O=C(NCCSCc1cccc(Cl)c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408921921 556891282 /nfs/dbraw/zinc/89/12/82/556891282.db2.gz LNDLCYPNWPHOJU-CJLVFECKSA-N 0 0 442.411 6.584 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000408927063 556891941 /nfs/dbraw/zinc/89/19/41/556891941.db2.gz XTECAHWACVMPFE-UHFFFAOYSA-N 0 0 442.968 5.691 40 0 IKABRN O=C(CCSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408923809 556892636 /nfs/dbraw/zinc/89/26/36/556892636.db2.gz GUSBOWKFLCJLPZ-UHFFFAOYSA-N 0 0 434.841 6.179 40 0 IKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1C ZINC000408929300 556893653 /nfs/dbraw/zinc/89/36/53/556893653.db2.gz VMCOVXKLMJZDOM-FYJGNVAPSA-N 0 0 432.501 5.238 40 0 IKABRN CC(C)CCC1=C[C@](O)(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408958416 556900418 /nfs/dbraw/zinc/90/04/18/556900418.db2.gz YQCWTNLAEOHXBU-GTNSWQLSSA-N 0 0 441.277 5.036 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 ZINC000072228710 556901060 /nfs/dbraw/zinc/90/10/60/556901060.db2.gz CFCRGUKKMZDCAM-UHFFFAOYSA-N 0 0 448.592 6.147 40 0 IKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c(C)c3s2)n1 ZINC000072228585 556901118 /nfs/dbraw/zinc/90/11/18/556901118.db2.gz INVYABQNCVMNDE-UHFFFAOYSA-N 0 0 432.593 6.265 40 0 IKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)c(C)c3s2)n1 ZINC000072228826 556901141 /nfs/dbraw/zinc/90/11/41/556901141.db2.gz WCBVJSLAOFURLB-UHFFFAOYSA-N 0 0 440.956 5.387 40 0 IKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4cccc(C)c4C)c(C)c3s2)n1 ZINC000072228807 556901153 /nfs/dbraw/zinc/90/11/53/556901153.db2.gz 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439.563 5.349 40 0 IKABRN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)CCCc4ccc(F)cc4)C3)nc2)n1 ZINC000072353417 556926536 /nfs/dbraw/zinc/92/65/36/556926536.db2.gz MKJGLOGOQMCQLT-NRFANRHFSA-N 0 0 447.558 5.100 40 0 IKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000072353867 556928176 /nfs/dbraw/zinc/92/81/76/556928176.db2.gz YAACUEIDVBRMTC-FQEVSTJZSA-N 0 0 439.481 5.414 40 0 IKABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 ZINC000072354023 556928891 /nfs/dbraw/zinc/92/88/91/556928891.db2.gz QEOBJNQSMOYGOO-FQEVSTJZSA-N 0 0 448.998 5.256 40 0 IKABRN COCc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cc1 ZINC000072354141 556929116 /nfs/dbraw/zinc/92/91/16/556929116.db2.gz MJNUYBIWOCCLSV-DEOSSOPVSA-N 0 0 432.539 5.286 40 0 IKABRN CNc1nc(C)c(C(=O)N2CCC[C@@H](c3cc(Cc4cccc(C)c4)cc(C)n3)C2)s1 ZINC000072354108 556929164 /nfs/dbraw/zinc/92/91/64/556929164.db2.gz DGVGRXZKKALAAE-OAQYLSRUSA-N 0 0 434.609 5.116 40 0 IKABRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)N(C)C1=S ZINC000409041457 556929257 /nfs/dbraw/zinc/92/92/57/556929257.db2.gz AFACRPSTGHJGQT-YVLHZVERSA-N 0 0 439.339 5.131 40 0 IKABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000072354168 556929313 /nfs/dbraw/zinc/92/93/13/556929313.db2.gz GAVSUGVLGZGBLY-OAQYLSRUSA-N 0 0 435.543 5.560 40 0 IKABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)n1 ZINC000072354166 556929348 /nfs/dbraw/zinc/92/93/48/556929348.db2.gz PZEPIRSACFJIAE-OAQYLSRUSA-N 0 0 434.971 5.061 40 0 IKABRN Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)CCc4nnc(C(C)C)o4)C3)c2)c1 ZINC000072354268 556929922 /nfs/dbraw/zinc/92/99/22/556929922.db2.gz POIIRXYIOKWXPO-HSZRJFAPSA-N 0 0 446.595 5.134 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)cc1 ZINC000072356183 556930793 /nfs/dbraw/zinc/93/07/93/556930793.db2.gz MOHUAGTUJBVRAU-RUZDIDTESA-N 0 0 441.575 5.267 40 0 IKABRN CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 ZINC000072356316 556931028 /nfs/dbraw/zinc/93/10/28/556931028.db2.gz XOZGHSZUVXYRFM-QHCPKHFHSA-N 0 0 446.978 5.348 40 0 IKABRN Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358092 556931610 /nfs/dbraw/zinc/93/16/10/556931610.db2.gz JHLCIEFLRCVRHL-LJQANCHMSA-N 0 0 431.483 5.433 40 0 IKABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358208 556931726 /nfs/dbraw/zinc/93/17/26/556931726.db2.gz QCUIIEQVCSWHHD-JOCHJYFZSA-N 0 0 443.469 5.202 40 0 IKABRN Cc1nc(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cs1 ZINC000072358147 556931741 /nfs/dbraw/zinc/93/17/41/556931741.db2.gz KOTKCEKWLXOJQL-NRFANRHFSA-N 0 0 445.510 5.362 40 0 IKABRN O=C(Cc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358642 556931745 /nfs/dbraw/zinc/93/17/45/556931745.db2.gz NRDDWJIJROVXOC-LJQANCHMSA-N 0 0 425.454 5.111 40 0 IKABRN O=C(c1ccc(F)cc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359353 556932369 /nfs/dbraw/zinc/93/23/69/556932369.db2.gz KSZNXYGQAXXNJG-KRWDZBQOSA-N 0 0 429.417 5.321 40 0 IKABRN O=C(CCc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359469 556932378 /nfs/dbraw/zinc/93/23/78/556932378.db2.gz CJZZIBVHAZCTMV-FQEVSTJZSA-N 0 0 439.481 5.501 40 0 IKABRN O=C(Cc1ccccc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072359453 556932389 /nfs/dbraw/zinc/93/23/89/556932389.db2.gz ULCLRTQPECOJPU-UHFFFAOYSA-N 0 0 425.454 5.111 40 0 IKABRN O=C(CCc1ccccc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072359468 556932471 /nfs/dbraw/zinc/93/24/71/556932471.db2.gz YADKKUPZYPOKDS-UHFFFAOYSA-N 0 0 439.481 5.501 40 0 IKABRN O=C(Cc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359454 556932524 /nfs/dbraw/zinc/93/25/24/556932524.db2.gz GNGGOBLFUDONSG-IBGZPJMESA-N 0 0 425.454 5.111 40 0 IKABRN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000409050833 556932768 /nfs/dbraw/zinc/93/27/68/556932768.db2.gz AUXPBOXRXYLMBI-UHFFFAOYSA-N 0 0 433.379 5.782 40 0 IKABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359641 556932852 /nfs/dbraw/zinc/93/28/52/556932852.db2.gz FFWWKMPQABWJAJ-GOSISDBHSA-N 0 0 443.444 5.250 40 0 IKABRN COc1cc(C)c(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1C(C)C ZINC000409051659 556933135 /nfs/dbraw/zinc/93/31/35/556933135.db2.gz FMLAFTBXQKWZPB-BKUYFWCQSA-N 0 0 429.513 5.381 40 0 IKABRN COc1ccccc1N1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000409051967 556933353 /nfs/dbraw/zinc/93/33/53/556933353.db2.gz FLKFGSMUPTUAFT-ZHZULCJRSA-N 0 0 439.577 6.237 40 0 IKABRN Nc1cccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)c1 ZINC000072361041 556933455 /nfs/dbraw/zinc/93/34/55/556933455.db2.gz HUUSGVMIXFRVQE-GOSISDBHSA-N 0 0 425.454 5.369 40 0 IKABRN Cc1cnc(Nc2cc([C@@H]3CCCN3C(=O)c3cccc(Cl)c3F)nc(C)n2)s1 ZINC000072361467 556933498 /nfs/dbraw/zinc/93/34/98/556933498.db2.gz LOTWDTAPJSDVGY-INIZCTEOSA-N 0 0 431.924 5.063 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 ZINC000072370040 556933755 /nfs/dbraw/zinc/93/37/55/556933755.db2.gz VPFWOTDGJUMXME-RUZDIDTESA-N 0 0 431.511 5.522 40 0 IKABRN Cc1cc(C)n2nc(C(=O)N3CCCC[C@H]3c3cc(-c4ccc(F)cc4)cc(C)n3)cc2n1 ZINC000072370050 556933768 /nfs/dbraw/zinc/93/37/68/556933768.db2.gz ZQBCOKRNRIDJRM-DEOSSOPVSA-N 0 0 443.526 5.223 40 0 IKABRN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000409054920 556938475 /nfs/dbraw/zinc/93/84/75/556938475.db2.gz WJAGHFXBVORJNE-UHFFFAOYSA-N 0 0 443.385 5.238 40 0 IKABRN O=C1NC(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409066721 556941854 /nfs/dbraw/zinc/94/18/54/556941854.db2.gz PJINSEYYPATRRK-GZTJUZNOSA-N 0 0 443.684 5.460 40 0 IKABRN Cc1cnc(Nc2cc(C)nc([C@H]3CCCN3C(=O)c3oc4ccccc4c3C)c2)s1 ZINC000072372583 556943030 /nfs/dbraw/zinc/94/30/30/556943030.db2.gz UUANQWBJKPLAKY-HXUWFJFHSA-N 0 0 432.549 5.930 40 0 IKABRN Cc1cnc(Nc2cc(C)nc([C@@H]3CCCN3C(=O)CCn3ncc4ccccc43)c2)s1 ZINC000072372566 556943040 /nfs/dbraw/zinc/94/30/40/556943040.db2.gz ZJNOTXVOQIAEEI-QFIPXVFZSA-N 0 0 446.580 5.002 40 0 IKABRN Cc1cnc(Nc2cc(C)nc([C@H]3CCCN3C(=O)CCn3ncc4ccccc43)c2)s1 ZINC000072372567 556943136 /nfs/dbraw/zinc/94/31/36/556943136.db2.gz ZJNOTXVOQIAEEI-JOCHJYFZSA-N 0 0 446.580 5.002 40 0 IKABRN Cc1cnc(Nc2cc(C)nc([C@H]3CCCN3C(=O)c3cc4cc(F)ccc4n3C)c2)s1 ZINC000072372593 556943197 /nfs/dbraw/zinc/94/31/97/556943197.db2.gz JBOZQBTXFBJQPH-OAQYLSRUSA-N 0 0 449.555 5.507 40 0 IKABRN Cc1cnc(Nc2cc(C)nc([C@@H]3CCCN3C(=O)c3cc4cc(F)ccc4n3C)c2)s1 ZINC000072372592 556943200 /nfs/dbraw/zinc/94/32/00/556943200.db2.gz JBOZQBTXFBJQPH-NRFANRHFSA-N 0 0 449.555 5.507 40 0 IKABRN Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3cc(Nc4ncccc4C)cc(C)n3)cc2s1 ZINC000072372623 556943371 /nfs/dbraw/zinc/94/33/71/556943371.db2.gz SKICRZRNUKIHNO-JOCHJYFZSA-N 0 0 443.576 5.732 40 0 IKABRN Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 ZINC000072372646 556943442 /nfs/dbraw/zinc/94/34/42/556943442.db2.gz PZUAIFZWNKRODE-DEOSSOPVSA-N 0 0 443.526 5.445 40 0 IKABRN Cc1nc2ccc(C(=O)N3CCC[C@H]3c3cc(Nc4ncccc4C)cc(C)n3)cc2s1 ZINC000072372622 556943455 /nfs/dbraw/zinc/94/34/55/556943455.db2.gz SKICRZRNUKIHNO-QFIPXVFZSA-N 0 0 443.576 5.732 40 0 IKABRN Cc1cnc(Nc2cc(C)nc([C@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)c2)s1 ZINC000072372725 556944066 /nfs/dbraw/zinc/94/40/66/556944066.db2.gz AFJMBFIJMYZFKG-OAQYLSRUSA-N 0 0 438.572 5.679 40 0 IKABRN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN3C(=O)C(C)(C)c3ccccc3F)c2)n1 ZINC000072372722 556944129 /nfs/dbraw/zinc/94/41/29/556944129.db2.gz YJEQKCIHXYPWHZ-QHCPKHFHSA-N 0 0 447.558 5.321 40 0 IKABRN CCN1C(=O)S/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C1=O ZINC000409069483 556944266 /nfs/dbraw/zinc/94/42/66/556944266.db2.gz JEBMFRZEHUPUHH-MDWZMJQESA-N 0 0 444.759 5.903 40 0 IKABRN CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1Cl ZINC000019927394 556945423 /nfs/dbraw/zinc/94/54/23/556945423.db2.gz TVFNJKQLAYISAL-UHFFFAOYSA-N 0 0 426.756 5.900 40 0 IKABRN Clc1ccc(-c2nnc(CSc3n[nH]c(-c4ccccc4Cl)n3)o2)c(Cl)c1 ZINC000019928231 556946089 /nfs/dbraw/zinc/94/60/89/556946089.db2.gz RTRJINJEZAUEDH-UHFFFAOYSA-N 0 0 438.727 5.774 40 0 IKABRN Cc1ccc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1C ZINC000019928047 556946142 /nfs/dbraw/zinc/94/61/42/556946142.db2.gz YSTQRGICYARVJQ-UHFFFAOYSA-N 0 0 445.544 5.722 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000409073629 556946477 /nfs/dbraw/zinc/94/64/77/556946477.db2.gz WPFZXMAHWFFWQY-HIPSJFSSSA-N 0 0 446.906 5.148 40 0 IKABRN CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccc(NC(C)=O)c1 ZINC000019928694 556946656 /nfs/dbraw/zinc/94/66/56/556946656.db2.gz VPZXUVUZSRGHOL-UHFFFAOYSA-N 0 0 449.363 5.205 40 0 IKABRN COc1cc(OC)cc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)c1 ZINC000019929006 556947164 /nfs/dbraw/zinc/94/71/64/556947164.db2.gz XJALFDRYOKNQQW-UHFFFAOYSA-N 0 0 447.516 5.211 40 0 IKABRN COc1ccc(Cl)cc1-c1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)o1 ZINC000019929146 556947191 /nfs/dbraw/zinc/94/71/91/556947191.db2.gz BAGDYNLLGLNXRP-UHFFFAOYSA-N 0 0 435.292 5.394 40 0 IKABRN CC(=O)Nc1cccc(-c2nnc(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)c1 ZINC000019929270 556947453 /nfs/dbraw/zinc/94/74/53/556947453.db2.gz KPTDKCCEHSCIQY-UHFFFAOYSA-N 0 0 449.536 5.335 40 0 IKABRN CCn1c(SCc2nnc(-c3cccc(C)c3)o2)nnc1-c1cc(Cl)ccc1OC ZINC000019929396 556947618 /nfs/dbraw/zinc/94/76/18/556947618.db2.gz DZDSMKXFKACOAQ-UHFFFAOYSA-N 0 0 441.944 5.278 40 0 IKABRN O=C1N/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1C1CCCCC1 ZINC000409081919 556947732 /nfs/dbraw/zinc/94/77/32/556947732.db2.gz QZRLJGYYLIFBEX-BOPFTXTBSA-N 0 0 438.833 5.844 40 0 IKABRN Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCN(C(=O)c3ccccn3)C2)n1 ZINC000072374748 556948797 /nfs/dbraw/zinc/94/87/97/556948797.db2.gz FLNQLRNDYRCUHL-IBGZPJMESA-N 0 0 425.454 5.024 40 0 IKABRN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CC[C@H](c2cc(-c3cncnc3)cc(C)n2)C1 ZINC000072374691 556948830 /nfs/dbraw/zinc/94/88/30/556948830.db2.gz CLEAWRPMHOJRIJ-IBGZPJMESA-N 0 0 426.520 5.148 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2)cc1C ZINC000409095397 556949353 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IKABRN Cc1csc(Nc2cccc([C@H]3CCCN3Cc3nc4ccccc4n3C(C)C)n2)n1 ZINC000072375392 556951015 /nfs/dbraw/zinc/95/10/15/556951015.db2.gz POGSDWXKBFUSOB-HXUWFJFHSA-N 0 0 432.597 5.858 40 0 IKABRN CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)c3oc4ccccc4c3C)n2)s1 ZINC000072375368 556951097 /nfs/dbraw/zinc/95/10/97/556951097.db2.gz MHKUYUWABSGWKF-QGZVFWFLSA-N 0 0 433.537 5.271 40 0 IKABRN COc1cc2c(cc1CCC(=O)N1CCC[C@H]1c1cccc(Nc3nccs3)n1)CCC2 ZINC000072375500 556951664 /nfs/dbraw/zinc/95/16/64/556951664.db2.gz DVANTAZMUDCACV-NRFANRHFSA-N 0 0 448.592 5.075 40 0 IKABRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409091812 556951847 /nfs/dbraw/zinc/95/18/47/556951847.db2.gz RYNIFPVQDWFWRM-PDGQHHTCSA-N 0 0 435.376 5.986 40 0 IKABRN Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)s1 ZINC000072375633 556952062 /nfs/dbraw/zinc/95/20/62/556952062.db2.gz KNIHFLPICSVYKL-IBGZPJMESA-N 0 0 426.973 5.540 40 0 IKABRN Clc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000409103541 556952095 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/nfs/dbraw/zinc/95/57/26/556955726.db2.gz MFBMJNZLKHIQAE-IBGZPJMESA-N 0 0 432.490 5.379 40 0 IKABRN O=C(c1ccc(F)cc1)N1CCCC[C@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 ZINC000072377524 556956282 /nfs/dbraw/zinc/95/62/82/556956282.db2.gz SNSNSPPVHBZWJA-SFHVURJKSA-N 0 0 445.420 5.141 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2)cc1C ZINC000409103007 556956627 /nfs/dbraw/zinc/95/66/27/556956627.db2.gz CIPQEGYHHHJIIW-UHFFFAOYSA-N 0 0 442.588 5.899 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3)nnc2-c2ccccc2)cc1 ZINC000409103384 556956877 /nfs/dbraw/zinc/95/68/77/556956877.db2.gz WGFUFGNKTJUHRO-UHFFFAOYSA-N 0 0 444.560 5.236 40 0 IKABRN CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409109358 556956893 /nfs/dbraw/zinc/95/68/93/556956893.db2.gz CBXMUWLKIKCFFS-UHFFFAOYSA-N 0 0 434.338 7.031 40 0 IKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1Cl ZINC000409109496 556957167 /nfs/dbraw/zinc/95/71/67/556957167.db2.gz GCSWLKYRQIIASE-UHFFFAOYSA-N 0 0 441.185 7.800 40 0 IKABRN 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ZINC000409106801 556959082 /nfs/dbraw/zinc/95/90/82/556959082.db2.gz MVEKUDKOCQRXTH-LICLKQGHSA-N 0 0 438.332 5.637 40 0 IKABRN CCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000409107892 556959613 /nfs/dbraw/zinc/95/96/13/556959613.db2.gz XSBOEJBCXQZNEY-UHFFFAOYSA-N 0 0 435.380 5.701 40 0 IKABRN CCOc1cc(CNc2ccccc2CC)cc(I)c1OCC ZINC000409117038 556960090 /nfs/dbraw/zinc/96/00/90/556960090.db2.gz PYSRWLJYLUGKAX-UHFFFAOYSA-N 0 0 425.310 5.263 40 0 IKABRN CCOc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409117399 556960197 /nfs/dbraw/zinc/96/01/97/556960197.db2.gz RBDMCZZEUKKBMF-XYGWBWBKSA-N 0 0 441.571 6.516 40 0 IKABRN COc1c(Br)cc(Br)cc1/C=C1\Sc2ccccc2NC1=O ZINC000409118333 556960718 /nfs/dbraw/zinc/96/07/18/556960718.db2.gz PYLBMXYRVXMAFX-AUWJEWJLSA-N 0 0 441.144 5.306 40 0 IKABRN O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390524 556960865 /nfs/dbraw/zinc/96/08/65/556960865.db2.gz QBZIJSFVJIJUTN-MRXNPFEDSA-N 0 0 443.528 5.442 40 0 IKABRN CCCc1sc2nc(SCc3ccc(C)cc3)n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000409120073 556961072 /nfs/dbraw/zinc/96/10/72/556961072.db2.gz UYAXDGGPVSNDOU-UHFFFAOYSA-N 0 0 438.593 6.448 40 0 IKABRN CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC000409120023 556961158 /nfs/dbraw/zinc/96/11/58/556961158.db2.gz SHUOYLBTYLEHMU-UHFFFAOYSA-N 0 0 427.982 5.908 40 0 IKABRN CCCOc1c(I)cc(CNc2ccc(C)c(C)c2)cc1OCC ZINC000409120565 556961277 /nfs/dbraw/zinc/96/12/77/556961277.db2.gz UHAKWTIOYOXXLR-UHFFFAOYSA-N 0 0 439.337 5.708 40 0 IKABRN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)COc2c(C)cccc2C)n1 ZINC000072390690 556961326 /nfs/dbraw/zinc/96/13/26/556961326.db2.gz DWYMWWLWWSCRBL-HSZRJFAPSA-N 0 0 444.579 5.241 40 0 IKABRN CCOc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1cccc(F)c1 ZINC000409121425 556961592 /nfs/dbraw/zinc/96/15/92/556961592.db2.gz WVYDSHOPXLSBTH-UHFFFAOYSA-N 0 0 444.344 6.486 40 0 IKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000409121289 556961603 /nfs/dbraw/zinc/96/16/03/556961603.db2.gz 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/nfs/dbraw/zinc/03/04/49/557030449.db2.gz AHRGHJILFIJGPX-UHFFFAOYSA-N 0 0 447.482 5.519 40 0 IKABRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)C12CC3CC(CC(C3)C1)C2 ZINC000408528576 557031244 /nfs/dbraw/zinc/03/12/44/557031244.db2.gz JISLTNRRINYQFY-UHFFFAOYSA-N 0 0 426.516 6.058 40 0 IKABRN Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 ZINC000408529504 557031300 /nfs/dbraw/zinc/03/13/00/557031300.db2.gz IGMPIMYFUGAFLC-FYJGNVAPSA-N 0 0 437.973 7.041 40 0 IKABRN CC(C)(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409250799 557031383 /nfs/dbraw/zinc/03/13/83/557031383.db2.gz YFFNSSCUWMBQMM-LDADJPATSA-N 0 0 428.941 5.313 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000409241381 557031529 /nfs/dbraw/zinc/03/15/29/557031529.db2.gz SEMVNKLNXLEJRO-HZHRSRAPSA-N 0 0 442.515 5.066 40 0 IKABRN CCn1c(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@@H]32)nnc1-c1ccccc1 ZINC000408534594 557032260 /nfs/dbraw/zinc/03/22/60/557032260.db2.gz TUNMGRZFXWJESQ-AZUAARDMSA-N 0 0 446.601 5.059 40 0 IKABRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)OCC(C)C)C3=O)cc2)cc1 ZINC000408533863 557032379 /nfs/dbraw/zinc/03/23/79/557032379.db2.gz RCXFCGRAZYRLLE-NDENLUEZSA-N 0 0 441.574 5.382 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccccc2F)C1=O)c1ccccc1 ZINC000409220123 557033329 /nfs/dbraw/zinc/03/33/29/557033329.db2.gz UNCAKXRXHUSJNU-OEAKJJBVSA-N 0 0 447.487 5.324 40 0 IKABRN O=C(CSc1ccc(Br)cc1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 ZINC000408541635 557033638 /nfs/dbraw/zinc/03/36/38/557033638.db2.gz COGSWSAWRYPUAH-AEFFLSMTSA-N 0 0 430.392 5.543 40 0 IKABRN O=C(CSc1ccc(Br)cc1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 ZINC000408541640 557033698 /nfs/dbraw/zinc/03/36/98/557033698.db2.gz COGSWSAWRYPUAH-FUHWJXTLSA-N 0 0 430.392 5.543 40 0 IKABRN Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000409244263 557033813 /nfs/dbraw/zinc/03/38/13/557033813.db2.gz AHQXKSFKMXFZBT-HMAPJEAMSA-N 0 0 434.948 5.893 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000408543282 557034313 /nfs/dbraw/zinc/03/43/13/557034313.db2.gz CMROBDDSISENCT-UHFFFAOYSA-N 0 0 436.577 5.536 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2C)c1 ZINC000408545299 557034356 /nfs/dbraw/zinc/03/43/56/557034356.db2.gz KBDPQKXAGGTUMY-UHFFFAOYSA-N 0 0 426.582 5.033 40 0 IKABRN Cc1ccc(Cn2cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c3ccccc32)cc1 ZINC000409254360 557034376 /nfs/dbraw/zinc/03/43/76/557034376.db2.gz WYBRGMSHWCETPY-MFKUBSTISA-N 0 0 435.527 5.399 40 0 IKABRN CCC[C@@H](C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000409255968 557034599 /nfs/dbraw/zinc/03/45/99/557034599.db2.gz MWMAGHAOVCQVHC-HXUWFJFHSA-N 0 0 436.577 5.001 40 0 IKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1 ZINC000409255786 557034728 /nfs/dbraw/zinc/03/47/28/557034728.db2.gz IVVXLHSMNNUOIS-UHFFFAOYSA-N 0 0 434.536 5.422 40 0 IKABRN CCCN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O ZINC000409255361 557034737 /nfs/dbraw/zinc/03/47/37/557034737.db2.gz YZBZRILWKLODEM-YBFXNURJSA-N 0 0 428.319 5.299 40 0 IKABRN O=C(Nc1ccccc1C(F)(F)F)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408548777 557034929 /nfs/dbraw/zinc/03/49/29/557034929.db2.gz UZMVZKLCQIVOND-NRFANRHFSA-N 0 0 446.450 5.325 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)c1 ZINC000408546522 557035622 /nfs/dbraw/zinc/03/56/22/557035622.db2.gz TZEGTOCWKPHXTK-UHFFFAOYSA-N 0 0 446.931 5.457 40 0 IKABRN O=C(COc1cccc(/C=C2\C(=O)Nc3ccccc32)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408553555 557035958 /nfs/dbraw/zinc/03/59/58/557035958.db2.gz XHJZYIIUYGDNSW-WQRHYEAKSA-N 0 0 439.298 5.504 40 0 IKABRN CCOc1ccc(NC(=O)c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 ZINC000408553843 557036096 /nfs/dbraw/zinc/03/60/96/557036096.db2.gz PVKBXCCUQUDESL-UHFFFAOYSA-N 0 0 439.939 6.277 40 0 IKABRN CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409259255 557036336 /nfs/dbraw/zinc/03/63/36/557036336.db2.gz YGDQBTBNNOVPPE-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN COc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000409258634 557036358 /nfs/dbraw/zinc/03/63/58/557036358.db2.gz UZVDPKUPJXOSQZ-UHFFFAOYSA-N 0 0 440.927 5.295 40 0 IKABRN CCOc1cc(C(=O)Nc2cccc(OC)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408551517 557036351 /nfs/dbraw/zinc/03/63/51/557036351.db2.gz DJWWZZNXEDGODB-UHFFFAOYSA-N 0 0 425.912 5.887 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408551038 557036409 /nfs/dbraw/zinc/03/64/09/557036409.db2.gz JCXJUOKHRREKPD-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN COc1ccccc1NC(=O)COc1ccc(CNc2cccc(Cl)c2C)cc1OC ZINC000408553626 557036429 /nfs/dbraw/zinc/03/64/29/557036429.db2.gz BAZFDCOPJWWQBI-UHFFFAOYSA-N 0 0 440.927 5.295 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408552192 557036582 /nfs/dbraw/zinc/03/65/82/557036582.db2.gz PCSZRNDEXUWYLH-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408552476 557036597 /nfs/dbraw/zinc/03/65/97/557036597.db2.gz PZRPUFYRWQPSTO-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(=O)c1ccccc1F ZINC000408552058 557036660 /nfs/dbraw/zinc/03/66/60/557036660.db2.gz NPNPVDBQIFLFPC-UHFFFAOYSA-N 0 0 442.512 5.011 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408554615 557036974 /nfs/dbraw/zinc/03/69/74/557036974.db2.gz SFZNWACUFNAZSX-UHFFFAOYSA-N 0 0 445.946 7.032 40 0 IKABRN Clc1ccccc1COc1cccc(CNc2ccc(Br)c(Cl)c2)c1 ZINC000408554906 557037037 /nfs/dbraw/zinc/03/70/37/557037037.db2.gz DYXFVNJREDJPPQ-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000409221466 557037229 /nfs/dbraw/zinc/03/72/29/557037229.db2.gz QSFKWLPYKWMRHQ-XDHOZWIPSA-N 0 0 440.977 5.954 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1C ZINC000408556167 557037241 /nfs/dbraw/zinc/03/72/41/557037241.db2.gz IVTFADKGGNZPDC-UHFFFAOYSA-N 0 0 443.374 6.548 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1NC(=O)c1ccccc1C ZINC000408555847 557037266 /nfs/dbraw/zinc/03/72/66/557037266.db2.gz GYRNKTDCMDZMBF-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN Clc1cccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)c1 ZINC000408555608 557037353 /nfs/dbraw/zinc/03/73/53/557037353.db2.gz GNYLJFGOPVYKBG-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408556802 557037526 /nfs/dbraw/zinc/03/75/26/557037526.db2.gz JXDMBIWYIBQEGD-UHFFFAOYSA-N 0 0 444.940 5.100 40 0 IKABRN O=C1CS[C@H](c2cccc(OCc3cccc(Cl)c3)c2)N1c1ccc(Cl)cc1 ZINC000408557409 557037553 /nfs/dbraw/zinc/03/75/53/557037553.db2.gz NGHUUMJJMQCBEM-JOCHJYFZSA-N 0 0 430.356 6.351 40 0 IKABRN Cc1ccc(COc2ccc(Cl)cc2[C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408557218 557037560 /nfs/dbraw/zinc/03/75/60/557037560.db2.gz NSOPWLYTGSZUIZ-HSZRJFAPSA-N 0 0 444.383 6.659 40 0 IKABRN CCCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br ZINC000408556765 557037567 /nfs/dbraw/zinc/03/75/67/557037567.db2.gz KJGLOPVFTVASEC-SFHVURJKSA-N 0 0 426.763 5.670 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000408557904 557037789 /nfs/dbraw/zinc/03/77/89/557037789.db2.gz ORQJJOUROSPWTI-UHFFFAOYSA-N 0 0 444.940 5.019 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(CNc2cccc(Cl)c2)cc1Cl ZINC000408557921 557037856 /nfs/dbraw/zinc/03/78/56/557037856.db2.gz QPYSXPBYHMDRCT-UHFFFAOYSA-N 0 0 449.765 6.585 40 0 IKABRN COc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(Cl)c3)cc2OC)cc1 ZINC000408557993 557037886 /nfs/dbraw/zinc/03/78/86/557037886.db2.gz RGRRDVUYERRZOE-UHFFFAOYSA-N 0 0 440.927 5.295 40 0 IKABRN COc1ccccc1NC(=O)COc1ccc(CNc2cccc(Cl)c2C)cc1Cl ZINC000408558393 557038148 /nfs/dbraw/zinc/03/81/48/557038148.db2.gz UIDOBWPEHKMCTL-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1F ZINC000408558411 557038171 /nfs/dbraw/zinc/03/81/71/557038171.db2.gz UMCRJJRIWWWYQA-UHFFFAOYSA-N 0 0 428.891 5.426 40 0 IKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1 ZINC000408558681 557038460 /nfs/dbraw/zinc/03/84/60/557038460.db2.gz VFYBKGRVAYIGEE-UHFFFAOYSA-N 0 0 443.374 6.494 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OCC ZINC000408554159 557038819 /nfs/dbraw/zinc/03/88/19/557038819.db2.gz CAXPHMZLBURFEK-UHFFFAOYSA-N 0 0 435.520 6.317 40 0 IKABRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccccc1F ZINC000408559496 557038823 /nfs/dbraw/zinc/03/88/23/557038823.db2.gz VQCXDNRFRIMJNG-QHCPKHFHSA-N 0 0 443.927 5.845 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(Br)cc1 ZINC000408559652 557038825 /nfs/dbraw/zinc/03/88/25/557038825.db2.gz AQFHZUFYSWDLEZ-GYHWCHFESA-N 0 0 443.410 6.001 40 0 IKABRN CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409265106 557038849 /nfs/dbraw/zinc/03/88/49/557038849.db2.gz NRWUBXQLHSFDPO-UHFFFAOYSA-N 0 0 438.955 5.985 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)cc1 ZINC000408564223 557039107 /nfs/dbraw/zinc/03/91/07/557039107.db2.gz TXRQLMOPUSBFAV-UHFFFAOYSA-N 0 0 444.600 6.166 40 0 IKABRN Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3cccc(C)c3C)cc2Cl)c1 ZINC000409265165 557039102 /nfs/dbraw/zinc/03/91/02/557039102.db2.gz QYYYPCOXXTYABC-UHFFFAOYSA-N 0 0 443.374 6.548 40 0 IKABRN CCc1sc(=NC(=O)C(c2ccccc2)c2ccccc2)n(CC)c1-c1ccccc1 ZINC000408560076 557039288 /nfs/dbraw/zinc/03/92/88/557039288.db2.gz BUIBOQIYLMULAO-DQSJHHFOSA-N 0 0 426.585 6.058 40 0 IKABRN COc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000409267669 557039642 /nfs/dbraw/zinc/03/96/42/557039642.db2.gz VQLQCTSBKUJDOD-UHFFFAOYSA-N 0 0 431.319 5.632 40 0 IKABRN CCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561071 557039724 /nfs/dbraw/zinc/03/97/24/557039724.db2.gz GHLNVOPUJMFVSM-GYHWCHFESA-N 0 0 430.957 5.211 40 0 IKABRN CCCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408560943 557039731 /nfs/dbraw/zinc/03/97/31/557039731.db2.gz FZNNMORQFUMYTQ-GYHWCHFESA-N 0 0 443.410 6.001 40 0 IKABRN CCCCc1nnc(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)n1CC ZINC000408561042 557039741 /nfs/dbraw/zinc/03/97/41/557039741.db2.gz WLSZBKHENDCLOM-UHFFFAOYSA-N 0 0 443.642 5.420 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561360 557039988 /nfs/dbraw/zinc/03/99/88/557039988.db2.gz IHLNOMHWVMHANV-RWEWTDSWSA-N 0 0 427.013 6.491 40 0 IKABRN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccccc1Br ZINC000408561351 557040034 /nfs/dbraw/zinc/04/00/34/557040034.db2.gz IFNRDHMNRXTKDX-UHFFFAOYSA-N 0 0 427.245 5.844 40 0 IKABRN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000408562383 557040317 /nfs/dbraw/zinc/04/03/17/557040317.db2.gz PGACJSAETWBPSY-UHFFFAOYSA-N 0 0 438.556 5.443 40 0 IKABRN CCCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562724 557040388 /nfs/dbraw/zinc/04/03/88/557040388.db2.gz RSRHFSXKBTUDQD-LVWGJNHUSA-N 0 0 433.404 6.545 40 0 IKABRN CCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)N1 ZINC000408562844 557040579 /nfs/dbraw/zinc/04/05/79/557040579.db2.gz DZPVQRCRVBBFRQ-JOCHJYFZSA-N 0 0 434.458 5.217 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1C ZINC000409261954 557040716 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COc1ccc(CNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 ZINC000408573229 557041433 /nfs/dbraw/zinc/04/14/33/557041433.db2.gz JGFITXSRMACWLA-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)c(Cl)c2)cc1OCC ZINC000408565844 557041624 /nfs/dbraw/zinc/04/16/24/557041624.db2.gz BHRBMHDIAYVUNF-UXBLZVDNSA-N 0 0 438.749 5.942 40 0 IKABRN COCCCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408567851 557041701 /nfs/dbraw/zinc/04/17/01/557041701.db2.gz SAQKVAUWAFMFMB-RELWKKBWSA-N 0 0 448.950 5.286 40 0 IKABRN CCCOc1ccc(C=CC(=O)OCC(=O)c2ccc(Br)cc2)cc1OCC ZINC000408566168 557041751 /nfs/dbraw/zinc/04/17/51/557041751.db2.gz DVRCWBWLRWRTIK-WUXMJOGZSA-N 0 0 447.325 5.076 40 0 IKABRN COc1cccc(C(=S)NCc2ccco2)c1OCc1ccc(Br)cc1 ZINC000408571196 557041951 /nfs/dbraw/zinc/04/19/51/557041951.db2.gz AAEDXOZXQYUGGV-UHFFFAOYSA-N 0 0 432.339 5.095 40 0 IKABRN COc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408574864 557042332 /nfs/dbraw/zinc/04/23/32/557042332.db2.gz 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/nfs/dbraw/zinc/04/29/34/557042934.db2.gz MOKWKUKSLMQRLF-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl ZINC000408576739 557042957 /nfs/dbraw/zinc/04/29/57/557042957.db2.gz QUDZONOMZONXPB-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nn12 ZINC000408574594 557043020 /nfs/dbraw/zinc/04/30/20/557043020.db2.gz SLNNKUKWBWWVIZ-ACCUITESSA-N 0 0 441.516 5.382 40 0 IKABRN S=C(NCc1ccco1)c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408577246 557043216 /nfs/dbraw/zinc/04/32/16/557043216.db2.gz SBOWNTGMYUXFFI-UHFFFAOYSA-N 0 0 436.758 5.740 40 0 IKABRN COc1cccc(C(=S)NCc2ccccc2C)c1OCc1c(F)cccc1Cl ZINC000408577888 557043617 /nfs/dbraw/zinc/04/36/17/557043617.db2.gz VLNJNMSJNVDPRN-UHFFFAOYSA-N 0 0 429.944 5.840 40 0 IKABRN COc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000408577847 557043672 /nfs/dbraw/zinc/04/36/72/557043672.db2.gz UUHWYIJOZBIXHT-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN S=C(NCc1ccc(Cl)cc1)c1cc(Br)ccc1OCc1ccccc1 ZINC000408577601 557043677 /nfs/dbraw/zinc/04/36/77/557043677.db2.gz TYPFFCOMYNJYCR-UHFFFAOYSA-N 0 0 446.797 6.147 40 0 IKABRN CCc1ccc(CNC(=S)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000408577857 557043712 /nfs/dbraw/zinc/04/37/12/557043712.db2.gz UXSDLEVHADQVET-UHFFFAOYSA-N 0 0 425.981 5.955 40 0 IKABRN COc1cccc(C(=S)NCCc2ccccc2)c1OCc1c(Cl)cccc1Cl ZINC000408577854 557043734 /nfs/dbraw/zinc/04/37/34/557043734.db2.gz UWVPYGHMHOYXEF-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2=O)c1 ZINC000409222631 557043845 /nfs/dbraw/zinc/04/38/45/557043845.db2.gz COGWSZIAWCAVTQ-XDHOZWIPSA-N 0 0 426.394 5.367 40 0 IKABRN COc1cc(C(=S)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408578327 557043924 /nfs/dbraw/zinc/04/39/24/557043924.db2.gz XNIJGIDMDSRWHV-MRXNPFEDSA-N 0 0 426.365 5.025 40 0 IKABRN COc1cc(C(=S)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408578325 557043982 /nfs/dbraw/zinc/04/39/82/557043982.db2.gz XNIJGIDMDSRWHV-INIZCTEOSA-N 0 0 426.365 5.025 40 0 IKABRN S=C(c1ccccc1OCc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000408578602 557044266 /nfs/dbraw/zinc/04/42/66/557044266.db2.gz ZDUSIKYDSFULLI-UHFFFAOYSA-N 0 0 436.020 6.549 40 0 IKABRN S=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000408578544 557044271 /nfs/dbraw/zinc/04/42/71/557044271.db2.gz YNVNTGRBRSQWLK-UHFFFAOYSA-N 0 0 436.020 6.549 40 0 IKABRN S=C(NCCc1ccccc1)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408578863 557044296 /nfs/dbraw/zinc/04/42/96/557044296.db2.gz ZZCRCINQMGIHGU-UHFFFAOYSA-N 0 0 426.379 5.536 40 0 IKABRN COc1cc(C(=S)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl ZINC000408578605 557044320 /nfs/dbraw/zinc/04/43/20/557044320.db2.gz ZEQOQRYSFKKFRM-UHFFFAOYSA-N 0 0 441.936 5.122 40 0 IKABRN CCOc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl ZINC000408578520 557044338 /nfs/dbraw/zinc/04/43/38/557044338.db2.gz YIQCMOFZZVTVEE-OAHLLOKOSA-N 0 0 440.392 5.415 40 0 IKABRN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1c(Cl)cccc1Cl ZINC000408579661 557044523 /nfs/dbraw/zinc/04/45/23/557044523.db2.gz JGXZJXRBPNWAGF-UHFFFAOYSA-N 0 0 449.359 5.212 40 0 IKABRN Cc1ccccc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 ZINC000408579083 557044560 /nfs/dbraw/zinc/04/45/60/557044560.db2.gz MMBIOTCYJXWOQR-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN Clc1ncn(C23C[C@@H]4C[C@@H](CC(c5nnc(C67CC8CC(CC(C8)C6)C7)o5)(C4)C2)C3)n1 ZINC000013959764 557044890 /nfs/dbraw/zinc/04/48/90/557044890.db2.gz USMACBIOJNEQKM-MSLFNVQWSA-N 0 0 439.991 5.029 40 0 IKABRN COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3nc(C)sc3C)cc2)cc1 ZINC000408581443 557044965 /nfs/dbraw/zinc/04/49/65/557044965.db2.gz WUKVGMHHSZHAJU-UHFFFAOYSA-N 0 0 430.529 6.480 40 0 IKABRN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c1 ZINC000408575657 557045233 /nfs/dbraw/zinc/04/52/33/557045233.db2.gz OXFXPRJLHWKFEM-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408576179 557045582 /nfs/dbraw/zinc/04/55/82/557045582.db2.gz SQGHDUNTPVCHIR-DCFHFQCYSA-N 0 0 444.600 5.212 40 0 IKABRN CCOC(=O)COc1ccc([C@H](CC)[C@H](CC)c2ccc(OCC(=O)OCC)cc2)cc1 ZINC000017288135 557045717 /nfs/dbraw/zinc/04/57/17/557045717.db2.gz SBZLDGZXZCEWMB-PSWAGMNNSA-N 0 0 442.552 5.258 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 ZINC000409224990 557046559 /nfs/dbraw/zinc/04/65/59/557046559.db2.gz MYYOESUNGJBQLE-CXUHLZMHSA-N 0 0 436.714 5.022 40 0 IKABRN CC(C=C1SC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O)=Cc1ccccc1 ZINC000409225684 557048929 /nfs/dbraw/zinc/04/89/29/557048929.db2.gz NRLQDWNGFRHLPR-UFTLPMNOSA-N 0 0 442.334 5.315 40 0 IKABRN CCCCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1OCC ZINC000409226131 557051136 /nfs/dbraw/zinc/05/11/36/557051136.db2.gz SYGHOHRSGRJVQX-JCMHNJIXSA-N 0 0 439.533 5.183 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)C1=O ZINC000409228602 557054858 /nfs/dbraw/zinc/05/48/58/557054858.db2.gz ZVQNVWVYCLTIFS-XDHOZWIPSA-N 0 0 446.366 5.783 40 0 IKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000409229056 557055145 /nfs/dbraw/zinc/05/51/45/557055145.db2.gz JBEUFQXJFIKKDP-OEAKJJBVSA-N 0 0 432.907 5.320 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000409229251 557055915 /nfs/dbraw/zinc/05/59/15/557055915.db2.gz MCQVOIQHYZGQOK-IYSPOMMRSA-N 0 0 428.916 5.009 40 0 IKABRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409229965 557055946 /nfs/dbraw/zinc/05/59/46/557055946.db2.gz AILSKJXKKBYZMV-CXUHLZMHSA-N 0 0 425.699 5.138 40 0 IKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cccc(Br)c4)o3)C2=O)cc1 ZINC000409230055 557055998 /nfs/dbraw/zinc/05/59/98/557055998.db2.gz BABRHMFNZAHIPB-XDHOZWIPSA-N 0 0 437.293 5.110 40 0 IKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000408597394 557056744 /nfs/dbraw/zinc/05/67/44/557056744.db2.gz YTOLWLZSGFAHFJ-UHFFFAOYSA-N 0 0 432.549 5.069 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)C1=O ZINC000409230839 557056880 /nfs/dbraw/zinc/05/68/80/557056880.db2.gz GFLDPUAXTOOISA-DEDYPNTBSA-N 0 0 445.968 6.072 40 0 IKABRN Cc1c(C)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br ZINC000408594041 557057741 /nfs/dbraw/zinc/05/77/41/557057741.db2.gz DOVJBPSYJSLKTR-UHFFFAOYSA-N 0 0 432.170 5.500 40 0 IKABRN CC(C)c1ccccc1NC(=O)CSc1nnc(COc2cccc3ccccc32)n1C ZINC000408594059 557057867 /nfs/dbraw/zinc/05/78/67/557057867.db2.gz DWRVNOQLELAWDZ-UHFFFAOYSA-N 0 0 446.576 5.402 40 0 IKABRN O[C@H](COc1ccccc1Cl)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 ZINC000082086509 557058113 /nfs/dbraw/zinc/05/81/13/557058113.db2.gz RKYVEHDGJYDZAB-SFHVURJKSA-N 0 0 427.331 5.374 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Br)c(OC(C)C)c(OCC)c2)C1=O ZINC000409231980 557058503 /nfs/dbraw/zinc/05/85/03/557058503.db2.gz MINJOQCGMQGHHW-XNTDXEJSSA-N 0 0 428.348 5.081 40 0 IKABRN Cc1cc(Br)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1C ZINC000408595811 557059241 /nfs/dbraw/zinc/05/92/41/557059241.db2.gz OPZIXLFBQSPXOF-UHFFFAOYSA-N 0 0 432.170 5.500 40 0 IKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(CSc2ccccc2)cc1 ZINC000409316593 557060320 /nfs/dbraw/zinc/06/03/20/557060320.db2.gz 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ZINC000408611141 557065169 /nfs/dbraw/zinc/06/51/69/557065169.db2.gz SBWZGDRLQBKDCW-UHFFFAOYSA-N 0 0 440.908 5.448 40 0 IKABRN CCOc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc(C)cc1 ZINC000408611023 557065195 /nfs/dbraw/zinc/06/51/95/557065195.db2.gz POYLVYSXLLQGPQ-UHFFFAOYSA-N 0 0 440.381 6.656 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1CC ZINC000409331634 557065330 /nfs/dbraw/zinc/06/53/30/557065330.db2.gz OARGJORFFJTESB-UHFFFAOYSA-N 0 0 438.597 5.095 40 0 IKABRN O=C1NC(=Cc2ccccc2Sc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409233304 557067172 /nfs/dbraw/zinc/06/71/72/557067172.db2.gz USGQJFGXAAYCBU-UYRXBGFRSA-N 0 0 441.339 6.242 40 0 IKABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000409339893 557067659 /nfs/dbraw/zinc/06/76/59/557067659.db2.gz MNSMYHHXZGQDPI-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN Cc1ccc([C@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1 ZINC000408613555 557067943 /nfs/dbraw/zinc/06/79/43/557067943.db2.gz YBDZETLKRIRLNH-SANMLTNESA-N 0 0 442.559 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GCLYGENFVQMHRB-MHZLTWQESA-N 0 0 448.522 5.839 40 0 IKABRN O=c1c(-c2ccccc2)c(-c2ccccc2)o/c(=N/C2CCCCC2)n1C1CCCCC1 ZINC000100782284 557117539 /nfs/dbraw/zinc/11/75/39/557117539.db2.gz PNKSGAGUBYDKSH-ZQHSETAFSA-N 0 0 428.576 6.514 40 0 IKABRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000100796148 557117550 /nfs/dbraw/zinc/11/75/50/557117550.db2.gz CGYUBYWOEBZTLZ-PUZFROQSSA-N 0 0 437.584 5.115 40 0 IKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3cccc(C)c3)n2)c1 ZINC000408700116 557117694 /nfs/dbraw/zinc/11/76/94/557117694.db2.gz YWZJTXSGKKPJIN-UHFFFAOYSA-N 0 0 447.336 5.566 40 0 IKABRN O=C(Nc1ccccc1Cl)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 ZINC000408700072 557117717 /nfs/dbraw/zinc/11/77/17/557117717.db2.gz YQPQBMFUBFYONI-UHFFFAOYSA-N 0 0 443.721 6.147 40 0 IKABRN COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3o2)c1 ZINC000040717323 557117851 /nfs/dbraw/zinc/11/78/51/557117851.db2.gz YEHSRGUQRWKJGM-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN CC(C)Oc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000409340268 557118622 /nfs/dbraw/zinc/11/86/22/557118622.db2.gz TWBJSUDRIREQQC-LJAQVGFWSA-N 0 0 448.566 6.840 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000209940858 557119177 /nfs/dbraw/zinc/11/91/77/557119177.db2.gz DANVKGKAPIZZNV-RPWUZVMVSA-N 0 0 426.545 5.058 40 0 IKABRN CCN(c1ccc(C(=O)NC(C(C)C)C(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408700373 557119591 /nfs/dbraw/zinc/11/95/91/557119591.db2.gz DVBAXBBURMBHMU-UHFFFAOYSA-N 0 0 448.654 5.034 40 0 IKABRN CCCC[C@H]1Cc2ccccc2N(CC(=O)[O-])C(CCCC)(CCCC)[C@]1([NH3+])CCCC ZINC000199628597 557119964 /nfs/dbraw/zinc/11/99/64/557119964.db2.gz ZOBPSIRRMPSGMP-CUBQBAPOSA-N 0 0 444.704 6.947 40 0 IKABRN CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409341348 557120266 /nfs/dbraw/zinc/12/02/66/557120266.db2.gz BJDJZDRUPVCPBC-UHFFFAOYSA-N 0 0 442.928 5.104 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl ZINC000408700752 557120578 /nfs/dbraw/zinc/12/05/78/557120578.db2.gz LGISOWBDCNJWRV-UHFFFAOYSA-N 0 0 449.016 5.138 40 0 IKABRN CCN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408703544 557121212 /nfs/dbraw/zinc/12/12/12/557121212.db2.gz SJPRSTFUPGSRDM-UHFFFAOYSA-N 0 0 444.553 5.015 40 0 IKABRN CC(C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408703533 557121257 /nfs/dbraw/zinc/12/12/57/557121257.db2.gz SFGJEELRXMOZMM-UHFFFAOYSA-N 0 0 434.989 5.280 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1Cl ZINC000101188926 557121615 /nfs/dbraw/zinc/12/16/15/557121615.db2.gz SPNWCZMXMRSHDU-UHFFFAOYSA-N 0 0 448.979 5.551 40 0 IKABRN Cc1cccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)c1C ZINC000101189262 557121824 /nfs/dbraw/zinc/12/18/24/557121824.db2.gz JFZNCPGMJRIDKL-UHFFFAOYSA-N 0 0 446.576 5.203 40 0 IKABRN O=C(NC1CCCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704020 557122386 /nfs/dbraw/zinc/12/23/86/557122386.db2.gz INCSDIHATSDLRV-DEOSSOPVSA-N 0 0 443.012 5.567 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@@H](C)Oc1ccccc1 ZINC000409344161 557122596 /nfs/dbraw/zinc/12/25/96/557122596.db2.gz FWOUANCZOXCXHU-OAHLLOKOSA-N 0 0 430.961 5.131 40 0 IKABRN CCCCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000409344431 557124100 /nfs/dbraw/zinc/12/41/00/557124100.db2.gz GURDQEIRFARSOF-DEDYPNTBSA-N 0 0 431.941 6.159 40 0 IKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000020571200 557124560 /nfs/dbraw/zinc/12/45/60/557124560.db2.gz IERKBHBWUNEFGV-UHFFFAOYSA-N 0 0 444.512 5.532 40 0 IKABRN CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000020612910 557125613 /nfs/dbraw/zinc/12/56/13/557125613.db2.gz BRRVUJQTIYWYPC-UHFFFAOYSA-N 0 0 432.611 5.004 40 0 IKABRN CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1Cl ZINC000409344759 557125753 /nfs/dbraw/zinc/12/57/53/557125753.db2.gz IHSTURHDDLZHSZ-UHFFFAOYSA-N 0 0 436.762 5.356 40 0 IKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000101706220 557125916 /nfs/dbraw/zinc/12/59/16/557125916.db2.gz NTWLPZMPTFQYQI-ZZMSNQBQSA-N 0 0 442.728 7.141 40 0 IKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)cc1Cl ZINC000409345196 557126140 /nfs/dbraw/zinc/12/61/40/557126140.db2.gz KIHTVAMWVNATCF-GRSHGNNSSA-N 0 0 444.940 5.111 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2-c2ccccc2)c1 ZINC000409347490 557127423 /nfs/dbraw/zinc/12/74/23/557127423.db2.gz QAIAYWHVIYYPCZ-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000409347487 557127424 /nfs/dbraw/zinc/12/74/24/557127424.db2.gz QDPQMOROVLZQTM-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000001909637 557127630 /nfs/dbraw/zinc/12/76/30/557127630.db2.gz FGCONHCKASSTGI-HNNXBMFYSA-N 0 0 429.582 5.507 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409348107 557127787 /nfs/dbraw/zinc/12/77/87/557127787.db2.gz REGBGMJOUNWQHJ-UHFFFAOYSA-N 0 0 440.956 5.712 40 0 IKABRN CC[C@@H](C)Oc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409349044 557128137 /nfs/dbraw/zinc/12/81/37/557128137.db2.gz QLVLSVUPXMPOGX-FAPYRAKZSA-N 0 0 429.925 5.437 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000020766365 557128445 /nfs/dbraw/zinc/12/84/45/557128445.db2.gz JPDHNNLUUBKVDC-UHFFFAOYSA-N 0 0 440.952 5.042 40 0 IKABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000409349624 557128816 /nfs/dbraw/zinc/12/88/16/557128816.db2.gz QEGFMPFLUQJUQZ-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN CCc1cccc(C)c1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000408706101 557128776 /nfs/dbraw/zinc/12/87/76/557128776.db2.gz VGQQHVMDZJEINP-UHFFFAOYSA-N 0 0 443.396 5.049 40 0 IKABRN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408707890 557128798 /nfs/dbraw/zinc/12/87/98/557128798.db2.gz MKYTXHZCDOQTLB-NRFANRHFSA-N 0 0 432.951 5.031 40 0 IKABRN CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 ZINC000408706786 557128858 /nfs/dbraw/zinc/12/88/58/557128858.db2.gz DQUXUQZYWNBWRK-QQFBHYJXSA-N 0 0 425.400 5.458 40 0 IKABRN O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408707740 557128900 /nfs/dbraw/zinc/12/89/00/557128900.db2.gz DEKBRZPWRLNMHU-UHFFFAOYSA-N 0 0 446.856 5.246 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccccc2Cl)n1CC ZINC000409349678 557128968 /nfs/dbraw/zinc/12/89/68/557128968.db2.gz VSXKJGJXKWKAFW-UHFFFAOYSA-N 0 0 444.988 5.132 40 0 IKABRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)c1 ZINC000409348791 557129320 /nfs/dbraw/zinc/12/93/20/557129320.db2.gz PKHKLPFHJWPXNE-CXUHLZMHSA-N 0 0 435.332 5.285 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000409350587 557129601 /nfs/dbraw/zinc/12/96/01/557129601.db2.gz UFDBYHMWVLFFRW-UHFFFAOYSA-N 0 0 436.577 5.292 40 0 IKABRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc3cccnc31)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000102694965 557131237 /nfs/dbraw/zinc/13/12/37/557131237.db2.gz TZTZHUYTZKHNCN-AYEHBTSNSA-N 0 0 430.507 5.478 40 0 IKABRN CCc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102737087 557132398 /nfs/dbraw/zinc/13/23/98/557132398.db2.gz ZVBJMQNTKVGGNM-KWXIBIRDSA-N 0 0 448.522 5.453 40 0 IKABRN Cc1cc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc(C)c1Cl ZINC000408713867 557132612 /nfs/dbraw/zinc/13/26/12/557132612.db2.gz BJLBOFVNLNXEKO-UHFFFAOYSA-N 0 0 441.959 5.342 40 0 IKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000408714306 557133015 /nfs/dbraw/zinc/13/30/15/557133015.db2.gz NVRWGGODASCTES-UHFFFAOYSA-N 0 0 441.959 5.504 40 0 IKABRN CC(C)c1ccc([C@@H](CC(=O)c2ccc(F)cc2)Nc2ccc(Br)cc2)cc1 ZINC000408718164 557133030 /nfs/dbraw/zinc/13/30/30/557133030.db2.gz NOIRZIQMWFEILG-HSZRJFAPSA-N 0 0 440.356 7.138 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)ccc1Cl ZINC000408714454 557133033 /nfs/dbraw/zinc/13/30/33/557133033.db2.gz RDBRDHVSJGFPJS-INIZCTEOSA-N 0 0 441.959 5.422 40 0 IKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)COc1cccc2ccccc21 ZINC000408713996 557133073 /nfs/dbraw/zinc/13/30/73/557133073.db2.gz GBSLWKMDFDBYLI-UHFFFAOYSA-N 0 0 429.520 5.225 40 0 IKABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102709192 557133237 /nfs/dbraw/zinc/13/32/37/557133237.db2.gz SBXXZWYDZDXGMP-UODIDJSMSA-N 0 0 434.495 5.199 40 0 IKABRN Cc1cc(C)cc(NC2=C[C@@H](c3ccc(C(C)(C)C)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000408723790 557133580 /nfs/dbraw/zinc/13/35/80/557133580.db2.gz NJJZXEPZESBVGZ-NDEPHWFRSA-N 0 0 438.615 7.302 40 0 IKABRN Cc1ccc(C)c(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3ccccc3C)n2)c1 ZINC000408724037 557133618 /nfs/dbraw/zinc/13/36/18/557133618.db2.gz CSRBTOKMJGQRLD-UHFFFAOYSA-N 0 0 431.539 6.870 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)nn2-c2ccccc2C)cc1 ZINC000408723922 557133622 /nfs/dbraw/zinc/13/36/22/557133622.db2.gz ALVOGZHHPMCYQK-UHFFFAOYSA-N 0 0 446.348 6.171 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)cc2-c2ccc3ccccc3c2)cc1 ZINC000408724220 557133831 /nfs/dbraw/zinc/13/38/31/557133831.db2.gz IEOKWLQQAJLUNF-UHFFFAOYSA-N 0 0 431.539 6.870 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccc(C)cc2)cc1 ZINC000408724175 557133839 /nfs/dbraw/zinc/13/38/39/557133839.db2.gz HAOPIDKQUALSEJ-UHFFFAOYSA-N 0 0 436.342 6.715 40 0 IKABRN Cc1cc(C)c(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)c(C)c1 ZINC000408724278 557133876 /nfs/dbraw/zinc/13/38/76/557133876.db2.gz JKLMUXAKUBIIBJ-UHFFFAOYSA-N 0 0 445.566 7.178 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)cc2-c2cccc3ccccc32)cc1 ZINC000408724279 557134118 /nfs/dbraw/zinc/13/41/18/557134118.db2.gz JKWIMNPTWALIIO-UHFFFAOYSA-N 0 0 431.539 6.870 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cc(C)cc3C)cc2-c2ccc3ccccc3c2)cc1 ZINC000408724443 557134161 /nfs/dbraw/zinc/13/41/61/557134161.db2.gz KJZILLHPMOHXLB-UHFFFAOYSA-N 0 0 445.566 7.178 40 0 IKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccccc2Cl)cc1-c1cccc2ccccc21 ZINC000408724873 557134404 /nfs/dbraw/zinc/13/44/04/557134404.db2.gz MMIMICZDCGZEIL-UHFFFAOYSA-N 0 0 437.930 6.907 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)nn2-c2cccc(C)c2)cc1 ZINC000408724902 557134884 /nfs/dbraw/zinc/13/48/84/557134884.db2.gz MTXTZNMCCYEBHN-UHFFFAOYSA-N 0 0 446.348 6.171 40 0 IKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)cc2-c2cccc3ccccc32)c1 ZINC000408725022 557134914 /nfs/dbraw/zinc/13/49/14/557134914.db2.gz NPBHRBZFUVPBCN-UHFFFAOYSA-N 0 0 437.930 6.907 40 0 IKABRN COCc1c(C(C)C)nc(C(C)C)c(/C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1 ZINC000090555960 557134981 /nfs/dbraw/zinc/13/49/81/557134981.db2.gz MCBZSKZRUIWKPM-RAKWIPDMSA-N 0 0 441.543 5.361 40 0 IKABRN CC1CCN(C(=S)Oc2cccc(C(=O)Nc3cccc(Br)c3)c2)CC1 ZINC000408721528 557135142 /nfs/dbraw/zinc/13/51/42/557135142.db2.gz JDGPGCXAZVLQKU-UHFFFAOYSA-N 0 0 433.371 5.097 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)c(Cl)c1 ZINC000021123859 557135638 /nfs/dbraw/zinc/13/56/38/557135638.db2.gz IFGMZNFMEKTKJE-UHFFFAOYSA-N 0 0 448.394 5.249 40 0 IKABRN 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CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1 ZINC000409386569 557141961 /nfs/dbraw/zinc/14/19/61/557141961.db2.gz MXPFVMXBQPRNBZ-UHFFFAOYSA-N 0 0 444.560 5.494 40 0 IKABRN Cc1sc2nc(-c3ccc(OCc4ccccc4)c(Br)c3)[nH]c(=O)c2c1C ZINC000408734470 557142082 /nfs/dbraw/zinc/14/20/82/557142082.db2.gz GSJXYKISKGWOIG-UHFFFAOYSA-N 0 0 441.350 6.022 40 0 IKABRN C1=C[C@@H]2C3C4[C@H](C=C[C@H]4[C@@H](CCSc4ccccc4)[C@@H]13)[C@@H]2CCSc1ccccc1 ZINC000104290838 557142115 /nfs/dbraw/zinc/14/21/15/557142115.db2.gz AYZBXVIUEAERKV-RLHPXMFBSA-N 0 0 430.682 7.448 40 0 IKABRN C1=C[C@@H]2C3C4[C@@H](C=C[C@H]4[C@@H]2CCSc2ccccc2)[C@@H](CCSc2ccccc2)[C@@H]13 ZINC000104290841 557142130 /nfs/dbraw/zinc/14/21/30/557142130.db2.gz AYZBXVIUEAERKV-LHJPRJBTSA-N 0 0 430.682 7.448 40 0 IKABRN O=C(NCc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408734777 557142431 /nfs/dbraw/zinc/14/24/31/557142431.db2.gz DRHWEDYPCRQFIF-UHFFFAOYSA-N 0 0 430.511 6.286 40 0 IKABRN O=C(NCCC1=CCCCC1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 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COc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1ccccc1Cl ZINC000008832326 557176764 /nfs/dbraw/zinc/17/67/64/557176764.db2.gz PIANQUCXYUHTQU-UHFFFAOYSA-N 0 0 445.302 5.272 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1Cl ZINC000008832319 557176768 /nfs/dbraw/zinc/17/67/68/557176768.db2.gz XHEXPRDHLWXBBP-UHFFFAOYSA-N 0 0 445.302 5.515 40 0 IKABRN COc1c(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc2ccccc2c1Br ZINC000008832375 557176774 /nfs/dbraw/zinc/17/67/74/557176774.db2.gz LHVFMRPTKKBMST-UHFFFAOYSA-N 0 0 446.300 6.763 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc(C)c1Cl ZINC000008832340 557176803 /nfs/dbraw/zinc/17/68/03/557176803.db2.gz LJGDELBKNSRFRV-UHFFFAOYSA-N 0 0 448.906 5.973 40 0 IKABRN COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccccc1Cl ZINC000008832323 557176816 /nfs/dbraw/zinc/17/68/16/557176816.db2.gz GHCIXCSOHXKOHL-UHFFFAOYSA-N 0 0 449.721 6.160 40 0 IKABRN COc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000008832316 557176829 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557227079 /nfs/dbraw/zinc/22/70/79/557227079.db2.gz KBYBMTNELLFQAM-RTWAWAEBSA-N 0 0 427.957 5.165 40 0 IKABRN CC[C@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000219119556 557227071 /nfs/dbraw/zinc/22/70/71/557227071.db2.gz YCMCZPYFWUEFGX-AUSIDOKSSA-N 0 0 444.641 5.023 40 0 IKABRN Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000219163197 557229180 /nfs/dbraw/zinc/22/91/80/557229180.db2.gz DHEUTTJJYQUDQB-HSZRJFAPSA-N 0 0 448.588 5.074 40 0 IKABRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C1=O ZINC000408818136 557230953 /nfs/dbraw/zinc/23/09/53/557230953.db2.gz PBAQZDFDJFOEEB-ODLFYWEKSA-N 0 0 444.339 6.392 40 0 IKABRN CC(C)[C@@H](O)P(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000011667447 557231546 /nfs/dbraw/zinc/23/15/46/557231546.db2.gz ITBZCTBEJMCLOU-ZYSQEBTGSA-N 0 0 430.610 7.109 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1C ZINC000219285716 557235840 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557277165 /nfs/dbraw/zinc/27/71/65/557277165.db2.gz FQCQAVIFRKFYLT-UHFFFAOYSA-N 0 0 431.495 5.038 40 0 IKABRN Cc1nc(C)c(C(=O)N(c2ccc(C)c(C)c2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)s1 ZINC000013084435 557277475 /nfs/dbraw/zinc/27/74/75/557277475.db2.gz IDOJWGJXENULSV-QFIPXVFZSA-N 0 0 449.620 5.680 40 0 IKABRN O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)NC1CCCCCC1 ZINC000013084518 557277709 /nfs/dbraw/zinc/27/77/09/557277709.db2.gz JALVFXFLGMJSOK-UHFFFAOYSA-N 0 0 425.985 5.881 40 0 IKABRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CCCCCC3)c2c1 ZINC000013084505 557277731 /nfs/dbraw/zinc/27/77/31/557277731.db2.gz SEKCMCYEEFXLSK-UHFFFAOYSA-N 0 0 437.584 5.929 40 0 IKABRN Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2ON1c1ccccc1 ZINC000101220509 557279385 /nfs/dbraw/zinc/27/93/85/557279385.db2.gz IRKTWDNRKMSRGK-GSDHBNRESA-N 0 0 434.495 5.199 40 0 IKABRN CC(C)Cc1nc2c(nnn2Cc2ccccc2)c(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000013086572 557280659 /nfs/dbraw/zinc/28/06/59/557280659.db2.gz GNPSKWXTBSHXEX-UHFFFAOYSA-N 0 0 427.339 5.519 40 0 IKABRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000101191847 557284656 /nfs/dbraw/zinc/28/46/56/557284656.db2.gz CGGJPQBOGMMGRQ-NRWUCQMLSA-N 0 0 446.926 5.661 40 0 IKABRN CC(C)N1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000409063698 557287637 /nfs/dbraw/zinc/28/76/37/557287637.db2.gz BCQSDCCYLFVNPZ-MFOYZWKCSA-N 0 0 440.323 6.156 40 0 IKABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220575122 557301274 /nfs/dbraw/zinc/30/12/74/557301274.db2.gz FTKVHVVHEXMUDV-CVDCTZTESA-N 0 0 444.641 5.023 40 0 IKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 ZINC000102681269 557305483 /nfs/dbraw/zinc/30/54/83/557305483.db2.gz SMNNPRYAEDCRGM-UUSHHUINSA-N 0 0 447.531 5.964 40 0 IKABRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220683056 557306396 /nfs/dbraw/zinc/30/63/96/557306396.db2.gz UGIKNZIHWSQVKC-GOSISDBHSA-N 0 0 443.396 5.300 40 0 IKABRN CC(=O)[C@@]12C(=O)Oc3ccc4ccccc4c3[C@@H]1[C@]2(C)C(=O)c1ccc(Br)cc1 ZINC000102729733 557306502 /nfs/dbraw/zinc/30/65/02/557306502.db2.gz DFIXEEFDUMGXRH-HUVFLSCGSA-N 0 0 449.300 5.083 40 0 IKABRN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220686971 557306605 /nfs/dbraw/zinc/30/66/05/557306605.db2.gz ARZGBVAWJDRSGT-QGZVFWFLSA-N 0 0 443.396 5.102 40 0 IKABRN O=C1[C@@H]2[C@H](c3ccccc3Cl)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736700 557306888 /nfs/dbraw/zinc/30/68/88/557306888.db2.gz QDBHHIFPYJLHRN-HKBOAZHASA-N 0 0 439.298 5.045 40 0 IKABRN CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220704047 557308749 /nfs/dbraw/zinc/30/87/49/557308749.db2.gz PALLUVSZOOHVLA-SFHVURJKSA-N 0 0 443.396 5.048 40 0 IKABRN CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220703894 557308766 /nfs/dbraw/zinc/30/87/66/557308766.db2.gz GPNUYPBHNYVJOL-LJQANCHMSA-N 0 0 443.396 5.300 40 0 IKABRN O=C1c2ccccc2C(=O)N1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000013303644 557308835 /nfs/dbraw/zinc/30/88/35/557308835.db2.gz NNFPOPWHZAJSKX-UHFFFAOYSA-N 0 0 425.482 5.586 40 0 IKABRN CCCC[C@@H]1c2c3ccccc3[nH]c2[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@@H]1CCC ZINC000102921364 557309796 /nfs/dbraw/zinc/30/97/96/557309796.db2.gz PMONBFSPMKSPTJ-GRADPPADSA-N 0 0 444.575 6.153 40 0 IKABRN COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000102941986 557310521 /nfs/dbraw/zinc/31/05/21/557310521.db2.gz VENREXJNMXUIOK-UIGGQMIPSA-N 0 0 428.532 5.292 40 0 IKABRN CCc1ccccc1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000113938184 557310570 /nfs/dbraw/zinc/31/05/70/557310570.db2.gz CWWBDDJSELOXJV-UHFFFAOYSA-N 0 0 436.577 5.008 40 0 IKABRN CCOC(=O)c1cnc2ccc(Br)cc2c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000049581308 557312367 /nfs/dbraw/zinc/31/23/67/557312367.db2.gz JOYMLOCALWUPDJ-NYHFZMIOSA-N 0 0 431.374 5.579 40 0 IKABRN COc1ccc(C23C[C@H]4C[C@H](CC(C(=O)N(C)Cc5ccc(OC)c(OC)c5)(C4)C2)C3)cc1 ZINC000023494138 557315902 /nfs/dbraw/zinc/31/59/02/557315902.db2.gz UKAZGWFTJAHORV-LHUUVIGISA-N 0 0 449.591 5.209 40 0 IKABRN O=C(CSCc1ccc(Br)cc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000103748833 557318233 /nfs/dbraw/zinc/31/82/33/557318233.db2.gz BENWPMFLQRLKIQ-UHFFFAOYSA-N 0 0 427.367 5.307 40 0 IKABRN CCCCCc1c2c(c(CCCCC)c3c1-c1cccc4cccc-3c14)-c1ccc(C)cc1C2 ZINC000103916004 557318819 /nfs/dbraw/zinc/31/88/19/557318819.db2.gz KLOUNGJSEFBOGF-UHFFFAOYSA-N 0 0 444.662 9.832 40 0 IKABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OC)ccc4ccccc43)C2=O)cc1 ZINC000409180827 557318899 /nfs/dbraw/zinc/31/88/99/557318899.db2.gz VYGUUUKVNLWRHT-HYARGMPZSA-N 0 0 446.528 5.086 40 0 IKABRN Cc1cccc2c(S[C@@H](C)C(=O)Nc3c(C)cccc3C)nc(-c3ccccc3)nc12 ZINC000013400451 557319978 /nfs/dbraw/zinc/31/99/78/557319978.db2.gz LMWXHRVDAXECMF-IBGZPJMESA-N 0 0 427.573 6.341 40 0 IKABRN Cc1cccc2c(S[C@H](C)C(=O)Nc3c(C)cccc3C)nc(-c3ccccc3)nc12 ZINC000013400445 557319983 /nfs/dbraw/zinc/31/99/83/557319983.db2.gz LMWXHRVDAXECMF-LJQANCHMSA-N 0 0 427.573 6.341 40 0 IKABRN Cc1cc(Oc2ccc(Cl)c(C)c2)nc(SCc2c(Cl)cccc2Cl)n1 ZINC000013403056 557320124 /nfs/dbraw/zinc/32/01/24/557320124.db2.gz OAXQTKBTTFKDHL-UHFFFAOYSA-N 0 0 425.768 7.138 40 0 IKABRN BrC1=C(c2ccccc2)[C@H]2CCCC[C@H]2[C@@]1(Br)c1ccccc1 ZINC000104136143 557320950 /nfs/dbraw/zinc/32/09/50/557320950.db2.gz BPNRCGIFCBGTDU-UEXGIBASSA-N 0 0 432.199 6.903 40 0 IKABRN BrC1=C(c2ccccc2)[C@H]2CCCC[C@@H]2[C@@]1(Br)c1ccccc1 ZINC000104136135 557321086 /nfs/dbraw/zinc/32/10/86/557321086.db2.gz BPNRCGIFCBGTDU-WFXMLNOXSA-N 0 0 432.199 6.903 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 ZINC000024227080 557322285 /nfs/dbraw/zinc/32/22/85/557322285.db2.gz AIFSJEYHLMVXLS-UHFFFAOYSA-N 0 0 443.576 5.239 40 0 IKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1ccccc1)[C@@H]2c1ccco1 ZINC000104231487 557322804 /nfs/dbraw/zinc/32/28/04/557322804.db2.gz DTAGMDVQCAXTPK-AREMUKBSSA-N 0 0 441.531 6.184 40 0 IKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@H]2c1ccco1 ZINC000104231915 557323004 /nfs/dbraw/zinc/32/30/04/557323004.db2.gz GPGUMXPVQJIZLM-DEOSSOPVSA-N 0 0 427.504 6.778 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1C ZINC000024298671 557324175 /nfs/dbraw/zinc/32/41/75/557324175.db2.gz RAKDUGUETZUNQV-UHFFFAOYSA-N 0 0 443.576 5.294 40 0 IKABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501066 557324309 /nfs/dbraw/zinc/32/43/09/557324309.db2.gz QUSOATSFHYBNDL-HSZRJFAPSA-N 0 0 448.615 5.142 40 0 IKABRN Cc1cccc(CCN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013496052 557326412 /nfs/dbraw/zinc/32/64/12/557326412.db2.gz IFAXKEYHCAFCRV-RUZDIDTESA-N 0 0 446.616 5.542 40 0 IKABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1Cl ZINC000013497691 557326964 /nfs/dbraw/zinc/32/69/64/557326964.db2.gz FAAAEBNEHFAZNN-JOCHJYFZSA-N 0 0 433.017 5.373 40 0 IKABRN CCOCCCN(C(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000013497191 557326986 /nfs/dbraw/zinc/32/69/86/557326986.db2.gz VSPUVEIRVSDSPT-QHCPKHFHSA-N 0 0 442.625 5.116 40 0 IKABRN CCOCCCN(C(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccccc1C ZINC000013497183 557327042 /nfs/dbraw/zinc/32/70/42/557327042.db2.gz BUNFNNHXNDAZSW-QHCPKHFHSA-N 0 0 442.625 5.116 40 0 IKABRN O=C(Cc1cccs1)N(c1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498373 557327544 /nfs/dbraw/zinc/32/75/44/557327544.db2.gz QKGGPCCNRGUZCF-XMMPIXPASA-N 0 0 436.552 5.263 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498350 557327561 /nfs/dbraw/zinc/32/75/61/557327561.db2.gz BQZBTXAWWKHNKX-SANMLTNESA-N 0 0 446.616 5.428 40 0 IKABRN O=C(Cc1cccs1)N(Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498282 557327562 /nfs/dbraw/zinc/32/75/62/557327562.db2.gz PGOJXKYYFSMIPC-QHCPKHFHSA-N 0 0 438.618 5.181 40 0 IKABRN O=C(Cc1cccs1)N(Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498281 557327577 /nfs/dbraw/zinc/32/75/77/557327577.db2.gz PGOJXKYYFSMIPC-HSZRJFAPSA-N 0 0 438.618 5.181 40 0 IKABRN Cc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498349 557327591 /nfs/dbraw/zinc/32/75/91/557327591.db2.gz BQZBTXAWWKHNKX-AREMUKBSSA-N 0 0 446.616 5.428 40 0 IKABRN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)sc2c1CCCC2 ZINC000104710438 557327769 /nfs/dbraw/zinc/32/77/69/557327769.db2.gz ODHBWTUOTQPOQY-INIZCTEOSA-N 0 0 429.582 5.641 40 0 IKABRN COc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498388 557327777 /nfs/dbraw/zinc/32/77/77/557327777.db2.gz YOVSSURQEFCQPQ-VWLOTQADSA-N 0 0 448.588 5.133 40 0 IKABRN O=C(Cc1cccs1)N(c1ccccc1F)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498378 557327788 /nfs/dbraw/zinc/32/77/88/557327788.db2.gz VMCALJYEPFWUHC-DEOSSOPVSA-N 0 0 436.552 5.263 40 0 IKABRN Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498419 557327793 /nfs/dbraw/zinc/32/77/93/557327793.db2.gz FKWGVGKCZFPIMM-RUZDIDTESA-N 0 0 432.589 5.432 40 0 IKABRN Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498414 557327799 /nfs/dbraw/zinc/32/77/99/557327799.db2.gz QHWZKIVHOQPAFX-SANMLTNESA-N 0 0 446.616 5.741 40 0 IKABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2c(OCCCC)ccc3ccccc32)C1=O ZINC000409209321 557328587 /nfs/dbraw/zinc/32/85/87/557328587.db2.gz FRCYAYUPWYSTFH-QNGOZBTKSA-N 0 0 441.549 5.398 40 0 IKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4c[nH]c5ccccc54)n21)CCCC3 ZINC000013499865 557329190 /nfs/dbraw/zinc/32/91/90/557329190.db2.gz RVVGELHKMVVFCV-UHFFFAOYSA-N 0 0 447.589 5.237 40 0 IKABRN COc1ccc(NC(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c32)cc1 ZINC000013499939 557329407 /nfs/dbraw/zinc/32/94/07/557329407.db2.gz ATDZVXAZZGEZTB-UHFFFAOYSA-N 0 0 441.622 6.095 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4ccc(C)cc4)nnc3c2c1C ZINC000013499986 557329634 /nfs/dbraw/zinc/32/96/34/557329634.db2.gz XFPZPZWUNONGTL-UHFFFAOYSA-N 0 0 425.583 5.118 40 0 IKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4cccc(C)c4)nnc3c2c1C ZINC000013499973 557329653 /nfs/dbraw/zinc/32/96/53/557329653.db2.gz DXDRSXLAKNJXBC-UHFFFAOYSA-N 0 0 425.583 5.118 40 0 IKABRN CCCCc1nc2c(ncc(NC(=O)Nc3cccc(Cl)c3)c2C)n1Cc1ccccc1 ZINC000013500032 557329940 /nfs/dbraw/zinc/32/99/40/557329940.db2.gz SSEHKRXRSGOZRE-UHFFFAOYSA-N 0 0 447.970 6.428 40 0 IKABRN CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3Cl)c2C)n1Cc1ccccc1 ZINC000013500031 557329994 /nfs/dbraw/zinc/32/99/94/557329994.db2.gz OAJUEEBFBMSQKP-UHFFFAOYSA-N 0 0 447.970 6.428 40 0 IKABRN CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1Cl ZINC000013509698 557331386 /nfs/dbraw/zinc/33/13/86/557331386.db2.gz ZHOGUXYTQJZTLG-UHFFFAOYSA-N 0 0 447.970 6.428 40 0 IKABRN CCN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000013510038 557331634 /nfs/dbraw/zinc/33/16/34/557331634.db2.gz JVCPNSQHQSTWDL-UHFFFAOYSA-N 0 0 429.973 5.588 40 0 IKABRN CC(C)CN(C(=O)c1cccc(Cl)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000013510056 557331660 /nfs/dbraw/zinc/33/16/60/557331660.db2.gz CWCTWMPBTVEQNB-UHFFFAOYSA-N 0 0 428.001 6.459 40 0 IKABRN c1csc([C@@H](c2nnnn2CCc2ccccc2)N2CCC(Cc3ccccc3)CC2)c1 ZINC000013511614 557332256 /nfs/dbraw/zinc/33/22/56/557332256.db2.gz LNXTVSGBJMSVMW-VWLOTQADSA-N 0 0 443.620 5.021 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2c(NC(=O)CN3CCCCC3)sc3c2CCCC3)cc1 ZINC000013511924 557332586 /nfs/dbraw/zinc/33/25/86/557332586.db2.gz LFWCYGPBUIECIZ-UHFFFAOYSA-N 0 0 438.637 5.580 40 0 IKABRN COc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000013511913 557332645 /nfs/dbraw/zinc/33/26/45/557332645.db2.gz RXTBHPSGFCRVGD-RUZDIDTESA-N 0 0 443.551 5.182 40 0 IKABRN COc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2[C@@H](C)c2ccccc2)c1 ZINC000013512131 557332808 /nfs/dbraw/zinc/33/28/08/557332808.db2.gz CPOWFQBHXRKCGX-INIZCTEOSA-N 0 0 448.548 5.195 40 0 IKABRN COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2[C@H](C)c2ccccc2)cc1 ZINC000013512123 557332816 /nfs/dbraw/zinc/33/28/16/557332816.db2.gz UDORBANGAZXONJ-MRXNPFEDSA-N 0 0 448.548 5.195 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O ZINC000409221117 557332925 /nfs/dbraw/zinc/33/29/25/557332925.db2.gz LCTVPLPOZRZMEJ-WOJGMQOQSA-N 0 0 436.360 6.327 40 0 IKABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1Cc1ccccc1 ZINC000013512265 557333103 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Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3C)C3CCCCC3)cc2c1 ZINC000013513915 557334999 /nfs/dbraw/zinc/33/49/99/557334999.db2.gz OFILKEOAJSAONV-UHFFFAOYSA-N 0 0 435.999 7.180 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc2c1 ZINC000013513929 557335013 /nfs/dbraw/zinc/33/50/13/557335013.db2.gz HPTHNDYQTHFAPJ-UHFFFAOYSA-N 0 0 442.390 7.135 40 0 IKABRN Cn1c2ccccc2s/c1=N\C(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC000013525398 557335548 /nfs/dbraw/zinc/33/55/48/557335548.db2.gz BIZHCUPRRQNLQM-QPLCGJKRSA-N 0 0 444.581 6.161 40 0 IKABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000013534054 557336728 /nfs/dbraw/zinc/33/67/28/557336728.db2.gz AEJJOPFHEVQHSC-DEDYPNTBSA-N 0 0 427.809 6.370 40 0 IKABRN Cc1cc(C)c(NC(=O)CCCN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000222381732 557336806 /nfs/dbraw/zinc/33/68/06/557336806.db2.gz VNDYPCWPQCEJBM-UHFFFAOYSA-N 0 0 443.396 5.104 40 0 IKABRN CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1cccc(Cl)c1 ZINC000013502029 557337197 /nfs/dbraw/zinc/33/71/97/557337197.db2.gz DRVXGQYQKXGXRZ-UHFFFAOYSA-N 0 0 447.970 6.428 40 0 IKABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000222384917 557337246 /nfs/dbraw/zinc/33/72/46/557337246.db2.gz CYAREDXEGASCEI-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)NC2CCCCCCC2)cc1)S(C)(=O)=O ZINC000222385356 557337305 /nfs/dbraw/zinc/33/73/05/557337305.db2.gz LYQNCSVULPWHAJ-UHFFFAOYSA-N 0 0 442.625 5.112 40 0 IKABRN Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1cccc(F)c1 ZINC000013502174 557337372 /nfs/dbraw/zinc/33/73/72/557337372.db2.gz HLIUNUPMSKLXAV-VWLOTQADSA-N 0 0 445.538 5.366 40 0 IKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccccn1)c1cccc(F)c1 ZINC000013502138 557337419 /nfs/dbraw/zinc/33/74/19/557337419.db2.gz WAUVHKFKVWUMOW-DEOSSOPVSA-N 0 0 449.501 5.197 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1Cl ZINC000222388265 557337567 /nfs/dbraw/zinc/33/75/67/557337567.db2.gz IOELGLWHKWQNHK-UHFFFAOYSA-N 0 0 446.931 5.006 40 0 IKABRN CC(C)c1ccccc1NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000222388779 557337582 /nfs/dbraw/zinc/33/75/82/557337582.db2.gz JZFFTPXPWJAOTA-UHFFFAOYSA-N 0 0 440.540 5.168 40 0 IKABRN CCOc1ccccc1NC(=O)CSc1nc2ccccc2cc1Cc1ccccc1 ZINC000013502682 557337622 /nfs/dbraw/zinc/33/76/22/557337622.db2.gz JYAYSRJAZGZOAJ-UHFFFAOYSA-N 0 0 428.557 5.955 40 0 IKABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccccn1)c1cccc(F)c1 ZINC000013502420 557337636 /nfs/dbraw/zinc/33/76/36/557337636.db2.gz NQPDPQHEMBGMCZ-XMMPIXPASA-N 0 0 431.511 5.058 40 0 IKABRN CC(C)(C)c1csc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc32)n1 ZINC000013502522 557337666 /nfs/dbraw/zinc/33/76/66/557337666.db2.gz VVUIZZGNHCGUGH-UHFFFAOYSA-N 0 0 440.638 6.162 40 0 IKABRN CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1 ZINC000013502686 557337920 /nfs/dbraw/zinc/33/79/20/557337920.db2.gz GRKQBMXNQMNMNJ-UHFFFAOYSA-N 0 0 426.541 5.759 40 0 IKABRN COc1ccc2cc3c(N)c(C(=O)Nc4ccccc4Br)sc3nc2c1 ZINC000013503440 557338157 /nfs/dbraw/zinc/33/81/57/557338157.db2.gz QXVPQAOKZBXGSK-UHFFFAOYSA-N 0 0 428.311 5.055 40 0 IKABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1ccoc1C)c1cccc(C)c1 ZINC000013503525 557338515 /nfs/dbraw/zinc/33/85/15/557338515.db2.gz NQORFEGXSKSKDF-QHCPKHFHSA-N 0 0 436.527 5.728 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc21 ZINC000222407875 557338669 /nfs/dbraw/zinc/33/86/69/557338669.db2.gz HVKRYKXIKHUHTB-AREMUKBSSA-N 0 0 430.592 5.413 40 0 IKABRN CCC(=O)Nc1cc(NC(=O)CSc2nc3cc(OC)ccc3cc2CC)ccc1C ZINC000013503573 557338718 /nfs/dbraw/zinc/33/87/18/557338718.db2.gz LOBZQNFEJKKSJI-UHFFFAOYSA-N 0 0 437.565 5.194 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000222413577 557338978 /nfs/dbraw/zinc/33/89/78/557338978.db2.gz CISMVWRHAMPWJA-OAQYLSRUSA-N 0 0 433.017 5.073 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc21 ZINC000222453844 557340788 /nfs/dbraw/zinc/34/07/88/557340788.db2.gz XYQRVQIEHVKYQH-AREMUKBSSA-N 0 0 430.592 5.413 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557341511 /nfs/dbraw/zinc/34/15/11/557341511.db2.gz ROMXUWDGHGNCHE-UHFFFAOYSA-N 0 0 435.568 6.205 40 0 IKABRN CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072214528 557341585 /nfs/dbraw/zinc/34/15/85/557341585.db2.gz FCUDVJIKRNRAOO-FQEVSTJZSA-N 0 0 425.529 5.317 40 0 IKABRN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214648 557341593 /nfs/dbraw/zinc/34/15/93/557341593.db2.gz ZYIMWBRSZJIAJR-NRFANRHFSA-N 0 0 439.556 5.707 40 0 IKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214854 557341684 /nfs/dbraw/zinc/34/16/84/557341684.db2.gz IHNNTGQHWBSVLW-OAQYLSRUSA-N 0 0 439.556 5.705 40 0 IKABRN COc1ccc(C(=O)Cn2c(C(=O)OC(C)C)cc3c2ccn3-c2ccc(F)cc2)cc1 ZINC000013565014 557341761 /nfs/dbraw/zinc/34/17/61/557341761.db2.gz GDGCHUMJUWZHIU-UHFFFAOYSA-N 0 0 434.467 5.028 40 0 IKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072214958 557341767 /nfs/dbraw/zinc/34/17/67/557341767.db2.gz AZRBCFLWSHBSME-UHFFFAOYSA-N 0 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CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CCCCC1 ZINC000072215679 557342635 /nfs/dbraw/zinc/34/26/35/557342635.db2.gz WTISKGQPFOPZLX-HXUWFJFHSA-N 0 0 445.604 6.228 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1)C1CCCCC1 ZINC000072215749 557342672 /nfs/dbraw/zinc/34/26/72/557342672.db2.gz YBDRCFKJLSEDSW-QHCPKHFHSA-N 0 0 449.595 6.133 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1)C1CCCCC1 ZINC000072215689 557342714 /nfs/dbraw/zinc/34/27/14/557342714.db2.gz AOTSEATUGNNVQM-QHCPKHFHSA-N 0 0 449.595 6.133 40 0 IKABRN Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2cccnc2)cc1 ZINC000013566055 557343846 /nfs/dbraw/zinc/34/38/46/557343846.db2.gz OLGMBWBNNGGJIK-UHFFFAOYSA-N 0 0 429.951 6.051 40 0 IKABRN O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1ccc2ccccc2c1 ZINC000013566513 557344863 /nfs/dbraw/zinc/34/48/63/557344863.db2.gz KBLWTXZIUKPMQU-UHFFFAOYSA-N 0 0 435.512 5.124 40 0 IKABRN O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccc2ccccc2c1 ZINC000013566459 557344910 /nfs/dbraw/zinc/34/49/10/557344910.db2.gz VIPOOQFJDUTMHY-UHFFFAOYSA-N 0 0 445.594 6.457 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222501084 557345136 /nfs/dbraw/zinc/34/51/36/557345136.db2.gz AJETTZXFSOQZIC-SANMLTNESA-N 0 0 430.592 5.413 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000222502835 557345394 /nfs/dbraw/zinc/34/53/94/557345394.db2.gz PKZTYDCYCSMGIY-HSZRJFAPSA-N 0 0 438.612 5.003 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222504134 557345595 /nfs/dbraw/zinc/34/55/95/557345595.db2.gz SBUSQRDWPZMUIT-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000222507421 557346136 /nfs/dbraw/zinc/34/61/36/557346136.db2.gz XUGVGIQDQKKNRB-QFIPXVFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000222507483 557346155 /nfs/dbraw/zinc/34/61/55/557346155.db2.gz XUGVGIQDQKKNRB-JOCHJYFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C ZINC000222507340 557346186 /nfs/dbraw/zinc/34/61/86/557346186.db2.gz ZAFJSUPLPRTEFN-JOCHJYFZSA-N 0 0 447.044 5.214 40 0 IKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1cccc(C)c1 ZINC000013568363 557347196 /nfs/dbraw/zinc/34/71/96/557347196.db2.gz SUWWDQRQRMQOMF-UHFFFAOYSA-N 0 0 428.001 5.659 40 0 IKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1cccc(C)c1C ZINC000013568366 557347223 /nfs/dbraw/zinc/34/72/23/557347223.db2.gz ROPPXIHKBBHGQG-UHFFFAOYSA-N 0 0 442.028 5.967 40 0 IKABRN Cc1ccc2c(c1)cc(CN(C(=O)Nc1cccc(Cl)c1)C1CCCCC1)c1nnnn12 ZINC000013568289 557347249 /nfs/dbraw/zinc/34/72/49/557347249.db2.gz BUDKBGNSDAKTQS-UHFFFAOYSA-N 0 0 448.958 5.606 40 0 IKABRN Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccc(F)cc2)cn1Cc1ccccc1 ZINC000013568331 557347276 /nfs/dbraw/zinc/34/72/76/557347276.db2.gz RQFRCGIYYQCYMZ-IBGZPJMESA-N 0 0 445.563 6.165 40 0 IKABRN O=C(CSc1nc(-c2ccccc2)cn1Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC000013568325 557347289 /nfs/dbraw/zinc/34/72/89/557347289.db2.gz FDCRVGAGUFVLAN-UHFFFAOYSA-N 0 0 433.964 5.983 40 0 IKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1cc(C)ccc1C ZINC000013568359 557347293 /nfs/dbraw/zinc/34/72/93/557347293.db2.gz WUDWZYNTUVLXTO-UHFFFAOYSA-N 0 0 442.028 5.967 40 0 IKABRN CN(c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1)S(=O)(=O)c1ccccc1 ZINC000222533843 557348036 /nfs/dbraw/zinc/34/80/36/557348036.db2.gz POWFDBILYUJLQZ-UHFFFAOYSA-N 0 0 435.332 5.071 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C ZINC000222539024 557348650 /nfs/dbraw/zinc/34/86/50/557348650.db2.gz PBVCUKVYSNGUHA-XMMPIXPASA-N 0 0 436.577 5.010 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 ZINC000222542286 557349191 /nfs/dbraw/zinc/34/91/91/557349191.db2.gz BKRKDPMWGYJURO-QFIPXVFZSA-N 0 0 447.044 5.295 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 ZINC000222541997 557349216 /nfs/dbraw/zinc/34/92/16/557349216.db2.gz NJXHVVCFQPUJHQ-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013583422 557349271 /nfs/dbraw/zinc/34/92/71/557349271.db2.gz NPYXBHZQVNRAOF-AXYOXNHISA-N 0 0 430.717 7.405 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000222547772 557349637 /nfs/dbraw/zinc/34/96/37/557349637.db2.gz KEAYEGAVKQIICY-OAQYLSRUSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl ZINC000222549648 557349856 /nfs/dbraw/zinc/34/98/56/557349856.db2.gz DIAXIYXSHRIPIH-WZONZLPQSA-N 0 0 445.003 5.003 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl ZINC000222549703 557349915 /nfs/dbraw/zinc/34/99/15/557349915.db2.gz DIAXIYXSHRIPIH-FDDCHVKYSA-N 0 0 445.003 5.003 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000222556306 557351320 /nfs/dbraw/zinc/35/13/20/557351320.db2.gz CPYUOIAAANIDMX-QFIPXVFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C ZINC000222556179 557351332 /nfs/dbraw/zinc/35/13/32/557351332.db2.gz QIRUEDMXZGDHFL-QFIPXVFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000222557750 557351643 /nfs/dbraw/zinc/35/16/43/557351643.db2.gz DVTDHDYYFCCKSM-JOCHJYFZSA-N 0 0 447.044 5.463 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1cccc(F)c1 ZINC000013561438 557351716 /nfs/dbraw/zinc/35/17/16/557351716.db2.gz ZTMDSXWCSBPYIE-JOCHJYFZSA-N 0 0 440.515 5.473 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1ccc(F)cc1 ZINC000013561440 557351729 /nfs/dbraw/zinc/35/17/29/557351729.db2.gz WMMHMFGIGZWVFA-JOCHJYFZSA-N 0 0 440.515 5.473 40 0 IKABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)CC)c1cccc(C(F)(F)F)c1 ZINC000013561784 557352304 /nfs/dbraw/zinc/35/23/04/557352304.db2.gz WNNHILSXFPQIEJ-HXUWFJFHSA-N 0 0 431.506 5.449 40 0 IKABRN CCN(Cc1ccccc1)[C@H](c1nnnn1C(C)(C)CC)c1cccc(C(F)(F)F)c1 ZINC000013561783 557352437 /nfs/dbraw/zinc/35/24/37/557352437.db2.gz WNNHILSXFPQIEJ-FQEVSTJZSA-N 0 0 431.506 5.449 40 0 IKABRN COc1ccc2cc(CN(Cc3cccc(C)c3)C(=O)c3cccc(C)c3)c(Cl)nc2c1 ZINC000013562053 557352660 /nfs/dbraw/zinc/35/26/60/557352660.db2.gz IVTFQAGMACGXEW-UHFFFAOYSA-N 0 0 444.962 6.356 40 0 IKABRN C[C@H]1CCCC[C@H]1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1 ZINC000013562294 557352819 /nfs/dbraw/zinc/35/28/19/557352819.db2.gz HUPHXNZALDIWMI-OXJNMPFZSA-N 0 0 432.033 6.106 40 0 IKABRN c1ccc(CC23N=NC(Cc4ccccc4)([C@H]4c5ccccc5[C@@H]42)[C@@H]2c4ccccc4[C@@H]23)cc1 ZINC000045070114 557352889 /nfs/dbraw/zinc/35/28/89/557352889.db2.gz IQRJNKFXXMODER-FOVQSURQSA-N 0 0 438.574 7.191 40 0 IKABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000013562469 557352883 /nfs/dbraw/zinc/35/28/83/557352883.db2.gz MNDJWAKEJGFTBX-NYSUNNPDSA-N 0 0 427.931 5.891 40 0 IKABRN COc1ccc(CNc2c3c(nc4cc(-c5cccc(F)c5)nn42)CCCC3)c(OC)c1 ZINC000013562829 557353210 /nfs/dbraw/zinc/35/32/10/557353210.db2.gz FBNFXISUFDRSRF-UHFFFAOYSA-N 0 0 432.499 5.044 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000222567269 557353656 /nfs/dbraw/zinc/35/36/56/557353656.db2.gz PAJDMPUJJMXMAQ-ZJSXRUAMSA-N 0 0 440.653 5.242 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000222567470 557353690 /nfs/dbraw/zinc/35/36/90/557353690.db2.gz PAJDMPUJJMXMAQ-URXFXBBRSA-N 0 0 440.653 5.242 40 0 IKABRN CCc1cccc2cc3c(N)c(C(=O)Nc4ccc(Oc5ccccc5)cc4)sc3nc21 ZINC000013564161 557354487 /nfs/dbraw/zinc/35/44/87/557354487.db2.gz SYPZICVRZANKRJ-UHFFFAOYSA-N 0 0 439.540 6.639 40 0 IKABRN COc1ccc(-c2ncc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)n2)cc1 ZINC000222576930 557355035 /nfs/dbraw/zinc/35/50/35/557355035.db2.gz PPGYMMZADKSQOB-UHFFFAOYSA-N 0 0 445.906 6.159 40 0 IKABRN CCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3ccc(OC)cc3)c2)cc1 ZINC000013590821 557356681 /nfs/dbraw/zinc/35/66/81/557356681.db2.gz LRYRDADHYNXCMH-XLVZBRSZSA-N 0 0 443.543 6.755 40 0 IKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222589496 557357137 /nfs/dbraw/zinc/35/71/37/557357137.db2.gz BODWZGQKQCQADV-RUZDIDTESA-N 0 0 434.580 5.378 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000222592491 557357859 /nfs/dbraw/zinc/35/78/59/557357859.db2.gz UMPGWLHZQCKWLQ-JOCHJYFZSA-N 0 0 447.044 5.295 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000222597731 557358852 /nfs/dbraw/zinc/35/88/52/557358852.db2.gz JJFOYNZRCXPRNF-NRFANRHFSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000222607429 557360899 /nfs/dbraw/zinc/36/08/99/557360899.db2.gz NCJQPPPUVARMDG-URXFXBBRSA-N 0 0 440.653 5.075 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222612881 557361806 /nfs/dbraw/zinc/36/18/06/557361806.db2.gz WGXIZOBTBKPKLD-GJZUVCINSA-N 0 0 436.640 5.507 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000222615068 557362085 /nfs/dbraw/zinc/36/20/85/557362085.db2.gz CSWGDLZFKXCQKH-AUSIDOKSSA-N 0 0 429.004 5.037 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000222615144 557362099 /nfs/dbraw/zinc/36/20/99/557362099.db2.gz CSWGDLZFKXCQKH-WMZHIEFXSA-N 0 0 429.004 5.037 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000222615255 557362184 /nfs/dbraw/zinc/36/21/84/557362184.db2.gz CSWGDLZFKXCQKH-CVDCTZTESA-N 0 0 429.004 5.037 40 0 IKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000222617204 557362361 /nfs/dbraw/zinc/36/23/61/557362361.db2.gz BIZDJNUQNVBWGX-OAHLLOKOSA-N 0 0 438.420 5.689 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000222618148 557362646 /nfs/dbraw/zinc/36/26/46/557362646.db2.gz UMQBBDLNTLCCAZ-AMGIVPHBSA-N 0 0 444.619 5.537 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000222618089 557362727 /nfs/dbraw/zinc/36/27/27/557362727.db2.gz UMQBBDLNTLCCAZ-WXVAWEFUSA-N 0 0 444.619 5.537 40 0 IKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(F)(F)F)c2)S1 ZINC000222623733 557363694 /nfs/dbraw/zinc/36/36/94/557363694.db2.gz SKIGSZINOSZADX-XMCHAPAWSA-N 0 0 428.483 5.480 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222624139 557363998 /nfs/dbraw/zinc/36/39/98/557363998.db2.gz JLEBYIGHNCBTSC-VGOFRKELSA-N 0 0 449.422 5.301 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222624268 557364044 /nfs/dbraw/zinc/36/40/44/557364044.db2.gz JLEBYIGHNCBTSC-VGSWGCGISA-N 0 0 449.422 5.301 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222625011 557364233 /nfs/dbraw/zinc/36/42/33/557364233.db2.gz KCVNTJUWVXJTJR-VGOFRKELSA-N 0 0 449.422 5.301 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222625148 557364291 /nfs/dbraw/zinc/36/42/91/557364291.db2.gz KCVNTJUWVXJTJR-VGSWGCGISA-N 0 0 449.422 5.301 40 0 IKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000222631708 557365503 /nfs/dbraw/zinc/36/55/03/557365503.db2.gz CQDVXTDWHGFQRT-BYYRLHKVSA-N 0 0 430.360 6.238 40 0 IKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)S1 ZINC000222631404 557365526 /nfs/dbraw/zinc/36/55/26/557365526.db2.gz ZDEOIUGNZYMWGO-BYYRLHKVSA-N 0 0 430.360 6.238 40 0 IKABRN CCC1(CC)C[C@@H](NC(=O)c2ccccc2I)c2ccccc2O1 ZINC000222633105 557365882 /nfs/dbraw/zinc/36/58/82/557365882.db2.gz RUERTFOCXAEKAG-QGZVFWFLSA-N 0 0 435.305 5.104 40 0 IKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N21 ZINC000222648334 557368257 /nfs/dbraw/zinc/36/82/57/557368257.db2.gz NHRWOYZUSOUURW-ZPMCFJSWSA-N 0 0 437.653 6.362 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222651903 557368660 /nfs/dbraw/zinc/36/86/60/557368660.db2.gz CQFXPFNOQGFEGK-RUZDIDTESA-N 0 0 434.555 5.244 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222655271 557369130 /nfs/dbraw/zinc/36/91/30/557369130.db2.gz GUSXUISMCHTDKV-HXUWFJFHSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC(C)C)c(OC)c3)N21 ZINC000222657950 557369267 /nfs/dbraw/zinc/36/92/67/557369267.db2.gz VMRZSJYVSBZFHU-CWFSZBLJSA-N 0 0 431.989 5.510 40 0 IKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC(C)C)c(OC)c3)N21 ZINC000222657752 557369300 /nfs/dbraw/zinc/36/93/00/557369300.db2.gz VMRZSJYVSBZFHU-UIAACRFSSA-N 0 0 431.989 5.510 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000222659523 557369658 /nfs/dbraw/zinc/36/96/58/557369658.db2.gz ZJMKCJZYNOGYOW-OAQYLSRUSA-N 0 0 435.395 5.258 40 0 IKABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC(C)C ZINC000222661806 557369799 /nfs/dbraw/zinc/36/97/99/557369799.db2.gz RXCDRNCCRKPRCY-MAODMQOUSA-N 0 0 446.016 5.900 40 0 IKABRN CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OCC ZINC000222661594 557369858 /nfs/dbraw/zinc/36/98/58/557369858.db2.gz UIVBBVXNWZSUCK-YSGRDPCXSA-N 0 0 431.989 5.512 40 0 IKABRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OCC ZINC000222661662 557369865 /nfs/dbraw/zinc/36/98/65/557369865.db2.gz UIVBBVXNWZSUCK-UIAACRFSSA-N 0 0 431.989 5.512 40 0 IKABRN COc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2[C@H](C)c2ccccc2)cc1 ZINC000033764636 557370222 /nfs/dbraw/zinc/37/02/22/557370222.db2.gz BTNUFIUQQYFFJK-VYDMJTNZSA-N 0 0 448.975 6.714 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222665081 557370387 /nfs/dbraw/zinc/37/03/87/557370387.db2.gz LIIFFNAKKOJNBU-MRXNPFEDSA-N 0 0 449.422 5.387 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222665153 557370480 /nfs/dbraw/zinc/37/04/80/557370480.db2.gz LIIFFNAKKOJNBU-INIZCTEOSA-N 0 0 449.422 5.387 40 0 IKABRN O=C(CCc1cccc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000222667045 557370711 /nfs/dbraw/zinc/37/07/11/557370711.db2.gz CIRRRXKNITXOJP-UHFFFAOYSA-N 0 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IKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccc(OC)cc4)c3C)N21 ZINC000222719966 557378953 /nfs/dbraw/zinc/37/89/53/557378953.db2.gz KJZUNXWGCBOWGE-PNTFMKQHSA-N 0 0 446.620 5.786 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCC1 ZINC000222721548 557379035 /nfs/dbraw/zinc/37/90/35/557379035.db2.gz XVNIXDRUYBSMOO-UHFFFAOYSA-N 0 0 437.392 5.491 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000222721786 557379069 /nfs/dbraw/zinc/37/90/69/557379069.db2.gz AEYGRZVKVGJRSM-UHFFFAOYSA-N 0 0 426.365 5.822 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc21 ZINC000222726585 557379881 /nfs/dbraw/zinc/37/98/81/557379881.db2.gz JXGFXYUYOKQTOY-MRXNPFEDSA-N 0 0 443.374 5.243 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccccc2Cl)no1 ZINC000222733357 557380898 /nfs/dbraw/zinc/38/08/98/557380898.db2.gz BTHBVAFIRMARHU-UHFFFAOYSA-N 0 0 442.755 5.246 40 0 IKABRN Cc1cccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222734291 557381207 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PNTYUWGEGRUZNI-MRXNPFEDSA-N 0 0 435.395 5.213 40 0 IKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222771797 557385115 /nfs/dbraw/zinc/38/51/15/557385115.db2.gz LMNBLBRWVABVNA-FGZHOGPDSA-N 0 0 425.001 5.443 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000222774013 557385592 /nfs/dbraw/zinc/38/55/92/557385592.db2.gz XLBRKLBVGWVEJM-INIZCTEOSA-N 0 0 443.374 5.243 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(Cl)cccc1Cl ZINC000222777241 557385838 /nfs/dbraw/zinc/38/58/38/557385838.db2.gz LFWCEOJSSDIHCU-LLVKDONJSA-N 0 0 448.177 5.006 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222776952 557385950 /nfs/dbraw/zinc/38/59/50/557385950.db2.gz VBAHQUIJIGWIEQ-LLVKDONJSA-N 0 0 448.177 5.006 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2C)cc1 ZINC000222777884 557385961 /nfs/dbraw/zinc/38/59/61/557385961.db2.gz LAGMXBABZRCRLL-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN 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557387287 /nfs/dbraw/zinc/38/72/87/557387287.db2.gz LTECIUXJVHBEQT-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000222792021 557387396 /nfs/dbraw/zinc/38/73/96/557387396.db2.gz SATFKQFILGHGRQ-QFIPXVFZSA-N 0 0 449.422 5.485 40 0 IKABRN O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000222800406 557387779 /nfs/dbraw/zinc/38/77/79/557387779.db2.gz FQLZTIGGTLHJQU-UHFFFAOYSA-N 0 0 437.381 5.131 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000222800885 557387810 /nfs/dbraw/zinc/38/78/10/557387810.db2.gz DRLBXVNDONSYGJ-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222802253 557388138 /nfs/dbraw/zinc/38/81/38/557388138.db2.gz ZJSHWLFHGVBYQL-OALUTQOASA-N 0 0 428.355 5.097 40 0 IKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000222805864 557388633 /nfs/dbraw/zinc/38/86/33/557388633.db2.gz UHJHFZXTMRLGRL-RBUKOAKNSA-N 0 0 446.345 5.236 40 0 IKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222805348 557388690 /nfs/dbraw/zinc/38/86/90/557388690.db2.gz YOJIDVNCYXJUFR-RBUKOAKNSA-N 0 0 446.345 5.236 40 0 IKABRN Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)Cc2ccccc2)n1 ZINC000072376896 557389039 /nfs/dbraw/zinc/38/90/39/557389039.db2.gz MLMMCUVHNIWORR-FQEVSTJZSA-N 0 0 440.469 5.041 40 0 IKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222816714 557389934 /nfs/dbraw/zinc/38/99/34/557389934.db2.gz DPGCGRNWULAMAX-XZOQPEGZSA-N 0 0 439.028 5.832 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222820962 557390128 /nfs/dbraw/zinc/39/01/28/557390128.db2.gz OZDSIKLTYOSOLK-PMACEKPBSA-N 0 0 431.392 5.560 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222821089 557390139 /nfs/dbraw/zinc/39/01/39/557390139.db2.gz OZDSIKLTYOSOLK-VQTJNVASSA-N 0 0 431.392 5.560 40 0 IKABRN Cc1cccc(CSCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222820465 557390177 /nfs/dbraw/zinc/39/01/77/557390177.db2.gz PFEVHIXEYWGEJK-SFHVURJKSA-N 0 0 447.044 5.214 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000222823012 557390445 /nfs/dbraw/zinc/39/04/45/557390445.db2.gz BAVQJYBPJIBKGN-CQSZACIVSA-N 0 0 439.358 5.007 40 0 IKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222825542 557390797 /nfs/dbraw/zinc/39/07/97/557390797.db2.gz DYTFXJIMCGVMGN-SFHVURJKSA-N 0 0 447.044 5.214 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@H](C)Oc1ccccc1 ZINC000013850136 557391369 /nfs/dbraw/zinc/39/13/69/557391369.db2.gz RMBIGQQPCVBHEX-KRWDZBQOSA-N 0 0 432.549 5.322 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870826 557391820 /nfs/dbraw/zinc/39/18/20/557391820.db2.gz LJBUJACFZVIRHF-OAHLLOKOSA-N 0 0 430.961 5.131 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870828 557391861 /nfs/dbraw/zinc/39/18/61/557391861.db2.gz FBXQASHWCBNLMM-OAHLLOKOSA-N 0 0 430.961 5.131 40 0 IKABRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870841 557392046 /nfs/dbraw/zinc/39/20/46/557392046.db2.gz JAUAZFXURIWJCI-INIZCTEOSA-N 0 0 444.988 5.439 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Br)cc3)n2C)cc1 ZINC000013871198 557392078 /nfs/dbraw/zinc/39/20/78/557392078.db2.gz YMKBIVDUBXFYFW-AWEZNQCLSA-N 0 0 432.387 5.572 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222840353 557392417 /nfs/dbraw/zinc/39/24/17/557392417.db2.gz ULBVPLHCXGRCFU-WOJBJXKFSA-N 0 0 430.499 5.272 40 0 IKABRN C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222841893 557392561 /nfs/dbraw/zinc/39/25/61/557392561.db2.gz IPWWSOBHKCGADR-HXUWFJFHSA-N 0 0 434.967 5.006 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000222841235 557392626 /nfs/dbraw/zinc/39/26/26/557392626.db2.gz XKINELQJKNQBND-PMACEKPBSA-N 0 0 441.398 5.016 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1Cl ZINC000222843809 557392946 /nfs/dbraw/zinc/39/29/46/557392946.db2.gz KRQOVEPZQVDQRV-GOSISDBHSA-N 0 0 436.939 5.027 40 0 IKABRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000013879584 557392914 /nfs/dbraw/zinc/39/29/14/557392914.db2.gz VQZTWFHXCDLCNY-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000013879604 557392921 /nfs/dbraw/zinc/39/29/21/557392921.db2.gz VPKUWLMFSKDSLX-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1Cl ZINC000222844488 557392972 /nfs/dbraw/zinc/39/29/72/557392972.db2.gz NCRGROVZQKSOGI-MSOLQXFVSA-N 0 0 436.939 5.545 40 0 IKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1Cl ZINC000222843746 557392975 /nfs/dbraw/zinc/39/29/75/557392975.db2.gz KRQOVEPZQVDQRV-SFHVURJKSA-N 0 0 436.939 5.027 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222845618 557393209 /nfs/dbraw/zinc/39/32/09/557393209.db2.gz XDMUUKMZFMTPLQ-UXHICEINSA-N 0 0 429.998 5.860 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222846769 557393347 /nfs/dbraw/zinc/39/33/47/557393347.db2.gz WDTASKXIXOXWRB-VQTJNVASSA-N 0 0 442.382 5.485 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222848714 557393689 /nfs/dbraw/zinc/39/36/89/557393689.db2.gz IPDLSFLSEYSCRO-VQTJNVASSA-N 0 0 432.376 6.029 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccc3ccccc32)ccc1C ZINC000222849283 557393737 /nfs/dbraw/zinc/39/37/37/557393737.db2.gz FPIWKRVJKCNUTG-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN Cc1ccc(OCCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222848518 557393744 /nfs/dbraw/zinc/39/37/44/557393744.db2.gz UFTXMIHPWVRMNJ-IBGZPJMESA-N 0 0 445.003 5.139 40 0 IKABRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000013841886 557394519 /nfs/dbraw/zinc/39/45/19/557394519.db2.gz JSYIHILRSIEECH-UHFFFAOYSA-N 0 0 444.988 5.385 40 0 IKABRN Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222860443 557395169 /nfs/dbraw/zinc/39/51/69/557395169.db2.gz DTLIVIOAAQFWMO-GOSISDBHSA-N 0 0 447.044 5.214 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)NCc2cccc3ccccc32)c(Br)c1 ZINC000222863509 557395556 /nfs/dbraw/zinc/39/55/56/557395556.db2.gz QGVRUWUYQONTHW-UHFFFAOYSA-N 0 0 426.354 5.595 40 0 IKABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C ZINC000222861444 557395563 /nfs/dbraw/zinc/39/55/63/557395563.db2.gz JSUMRJGVCGNKAK-GOSISDBHSA-N 0 0 445.003 5.174 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222865897 557395819 /nfs/dbraw/zinc/39/58/19/557395819.db2.gz VOCLROKIZYWNAU-PMACEKPBSA-N 0 0 431.392 5.562 40 0 IKABRN Cc1ccc(COc2ccc(/C=C3\N=C(c4cccc(Br)c4)OC3=O)cc2)cc1 ZINC000013928585 557396789 /nfs/dbraw/zinc/39/67/89/557396789.db2.gz SILXMVAIJWSBKC-XKZIYDEJSA-N 0 0 448.316 5.681 40 0 IKABRN COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000013926221 557396798 /nfs/dbraw/zinc/39/67/98/557396798.db2.gz QGVGEICAYZRPHT-JAIQZWGSSA-N 0 0 437.854 5.411 40 0 IKABRN CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000013925440 557396827 /nfs/dbraw/zinc/39/68/27/557396827.db2.gz ZYRICNOXQSJRLW-HMAPJEAMSA-N 0 0 447.918 5.971 40 0 IKABRN CCc1ccc(O[C@H](CC)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000222879228 557397259 /nfs/dbraw/zinc/39/72/59/557397259.db2.gz IFRRSOLFHAUPFQ-HXUWFJFHSA-N 0 0 426.409 5.763 40 0 IKABRN CCc1ccc(O[C@H](CC)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000222884540 557397964 /nfs/dbraw/zinc/39/79/64/557397964.db2.gz ODZCKJAUEDCXFY-HHHXNRCGSA-N 0 0 442.603 5.340 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000222886757 557398276 /nfs/dbraw/zinc/39/82/76/557398276.db2.gz KSSFFKGUKNRSFL-VQTJNVASSA-N 0 0 441.398 5.017 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000222888734 557398754 /nfs/dbraw/zinc/39/87/54/557398754.db2.gz BOHMVJOORBPCLY-UHFFFAOYSA-N 0 0 440.377 5.392 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222887720 557398780 /nfs/dbraw/zinc/39/87/80/557398780.db2.gz MZFWNMNYYSXRAC-LJQANCHMSA-N 0 0 440.603 5.388 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222890614 557399114 /nfs/dbraw/zinc/39/91/14/557399114.db2.gz GODMKFKOOGCCGQ-RUZDIDTESA-N 0 0 438.612 5.083 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222889346 557399118 /nfs/dbraw/zinc/39/91/18/557399118.db2.gz NKFDCTZRJPUQMU-OAHLLOKOSA-N 0 0 439.408 5.029 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222892179 557399372 /nfs/dbraw/zinc/39/93/72/557399372.db2.gz GKXRSOPDMNXYGM-PMACEKPBSA-N 0 0 442.382 5.487 40 0 IKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222896455 557400139 /nfs/dbraw/zinc/40/01/39/557400139.db2.gz BZJZWBYIBMKZOS-LJQANCHMSA-N 0 0 426.576 5.214 40 0 IKABRN O=C(NCc1ccccn1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 ZINC000013992503 557400841 /nfs/dbraw/zinc/40/08/41/557400841.db2.gz NJZTXMRGOUNPFV-UHFFFAOYSA-N 0 0 428.542 5.412 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222903078 557400921 /nfs/dbraw/zinc/40/09/21/557400921.db2.gz PDFKGIVNQBOXLG-AWEZNQCLSA-N 0 0 439.358 5.007 40 0 IKABRN COc1cc([C@@H]2S[C@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccc(Cl)cc1 ZINC000013995203 557401039 /nfs/dbraw/zinc/40/10/39/557401039.db2.gz IWAOIEDUFTYJGZ-XCLFUZPHSA-N 0 0 443.956 5.122 40 0 IKABRN COc1cc([C@H]2S[C@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1cccc(Cl)c1 ZINC000013995218 557401155 /nfs/dbraw/zinc/40/11/55/557401155.db2.gz DCKVUPNHJDOTSQ-ZUOKHONESA-N 0 0 443.956 5.122 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(I)cc1 ZINC000222908681 557401514 /nfs/dbraw/zinc/40/15/14/557401514.db2.gz SGYILCQENKRYDU-GOSISDBHSA-N 0 0 437.321 5.385 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000222919551 557402583 /nfs/dbraw/zinc/40/25/83/557402583.db2.gz PAHRJSSXQJZNPR-QHCPKHFHSA-N 0 0 434.536 5.303 40 0 IKABRN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000222921000 557402841 /nfs/dbraw/zinc/40/28/41/557402841.db2.gz RNVPNEYTJFLDIC-IBGZPJMESA-N 0 0 443.609 5.897 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222922185 557403119 /nfs/dbraw/zinc/40/31/19/557403119.db2.gz ZJDDLQDGBOJAFM-QHCPKHFHSA-N 0 0 437.967 7.226 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222924714 557403496 /nfs/dbraw/zinc/40/34/96/557403496.db2.gz HXPDHOWGWKLELV-HXUWFJFHSA-N 0 0 448.994 5.415 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000222925007 557403626 /nfs/dbraw/zinc/40/36/26/557403626.db2.gz QWFVBVGKAIDAAO-DEOSSOPVSA-N 0 0 445.563 5.105 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222928025 557404095 /nfs/dbraw/zinc/40/40/95/557404095.db2.gz FCLYSHYKFFZOAB-QGZVFWFLSA-N 0 0 449.422 5.566 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222930456 557404520 /nfs/dbraw/zinc/40/45/20/557404520.db2.gz IHIQGDJFWSBKLR-RTWAWAEBSA-N 0 0 444.526 5.520 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222929468 557404547 /nfs/dbraw/zinc/40/45/47/557404547.db2.gz MJABMICAEKMKQN-RUZDIDTESA-N 0 0 436.640 5.291 40 0 IKABRN CC[C@H](CC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118912512 557404689 /nfs/dbraw/zinc/40/46/89/557404689.db2.gz GSNYNPKRIFCZGN-OKPBFWFOSA-N 0 0 446.716 5.966 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118913605 557405166 /nfs/dbraw/zinc/40/51/66/557405166.db2.gz MCVIVMYFDOKJSH-MAIKWSJFSA-N 0 0 438.608 6.186 40 0 IKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1Cl ZINC000222936004 557405272 /nfs/dbraw/zinc/40/52/72/557405272.db2.gz LTIHSIKQJVGZKY-UHFFFAOYSA-N 0 0 432.303 6.445 40 0 IKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222935822 557405291 /nfs/dbraw/zinc/40/52/91/557405291.db2.gz QSWYYTUYBWKBCK-KRWDZBQOSA-N 0 0 449.422 5.485 40 0 IKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914733 557405430 /nfs/dbraw/zinc/40/54/30/557405430.db2.gz SFKSZNDXMPANHH-QXMVWNSXSA-N 0 0 444.700 7.030 40 0 IKABRN CC(=O)O[C@H](C)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@]4(C)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118914985 557405482 /nfs/dbraw/zinc/40/54/82/557405482.db2.gz WPHICUIXBCASRI-MSQAKEQGSA-N 0 0 434.617 5.034 40 0 IKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914732 557405527 /nfs/dbraw/zinc/40/55/27/557405527.db2.gz SFKSZNDXMPANHH-FRDWVKLBSA-N 0 0 444.700 7.030 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](O)(CCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915131 557405745 /nfs/dbraw/zinc/40/57/45/557405745.db2.gz 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CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222949424 557407368 /nfs/dbraw/zinc/40/73/68/557407368.db2.gz FBVTWSGZPQLNDA-JOCHJYFZSA-N 0 0 449.422 5.506 40 0 IKABRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3[C@H]3C[C@]32C1 ZINC000118936343 557407590 /nfs/dbraw/zinc/40/75/90/557407590.db2.gz WNFPVPRFYINGIO-VSZHHLKNSA-N 0 0 428.701 7.649 40 0 IKABRN CCO[C@@H]1C[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 ZINC000118936681 557408102 /nfs/dbraw/zinc/40/81/02/557408102.db2.gz FEDFCOPSAFXWTA-PGQOSFCTSA-N 0 0 428.613 6.164 40 0 IKABRN C[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000222965650 557409065 /nfs/dbraw/zinc/40/90/65/557409065.db2.gz DPGFOASYJBOQFA-HXUWFJFHSA-N 0 0 431.601 6.228 40 0 IKABRN COc1cccc(CC[C@]2(O)CCC[C@H]3[C@@H]2CCC[C@]3(O)CCc2cccc(OC)c2)c1 ZINC000025692040 557409354 /nfs/dbraw/zinc/40/93/54/557409354.db2.gz IPWGEHIMZTUZSY-LAJGZZDBSA-N 0 0 438.608 5.332 40 0 IKABRN 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557411577 /nfs/dbraw/zinc/41/15/77/557411577.db2.gz KKZXXHKKBJROGX-FGZHOGPDSA-N 0 0 425.985 6.076 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000222988259 557412515 /nfs/dbraw/zinc/41/25/15/557412515.db2.gz HGQNVCKTERXAEQ-INIZCTEOSA-N 0 0 435.395 5.258 40 0 IKABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000222991631 557413131 /nfs/dbraw/zinc/41/31/31/557413131.db2.gz IMDYZZQDFOQUBQ-JOCHJYFZSA-N 0 0 448.607 5.052 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223002104 557414160 /nfs/dbraw/zinc/41/41/60/557414160.db2.gz RMHYFASSAOFJQY-SANMLTNESA-N 0 0 428.576 5.070 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000223011159 557415360 /nfs/dbraw/zinc/41/53/60/557415360.db2.gz RHMOZKBACUFQRQ-KRWDZBQOSA-N 0 0 449.422 5.485 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223016297 557415804 /nfs/dbraw/zinc/41/58/04/557415804.db2.gz 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Cc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C ZINC000223024090 557416735 /nfs/dbraw/zinc/41/67/35/557416735.db2.gz OSLIHIBYTYDZIB-INIZCTEOSA-N 0 0 435.395 5.176 40 0 IKABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000223025453 557417070 /nfs/dbraw/zinc/41/70/70/557417070.db2.gz PKYDOXIWWWSYOM-UXHICEINSA-N 0 0 445.997 5.098 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1C ZINC000223029056 557417527 /nfs/dbraw/zinc/41/75/27/557417527.db2.gz CUUQSHXUJJPSEF-MOPGFXCFSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 ZINC000223028317 557417592 /nfs/dbraw/zinc/41/75/92/557417592.db2.gz ZYNUBEWPFQTCNH-ROUUACIJSA-N 0 0 433.017 5.073 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 ZINC000223028194 557417614 /nfs/dbraw/zinc/41/76/14/557417614.db2.gz ZYNUBEWPFQTCNH-ZWKOTPCHSA-N 0 0 433.017 5.073 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc(Cl)ccc1OC ZINC000014084694 557418879 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557432663 /nfs/dbraw/zinc/43/26/63/557432663.db2.gz FTTQMLLEYBJBDC-UHFFFAOYSA-N 0 0 443.808 6.385 40 0 IKABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223108923 557432718 /nfs/dbraw/zinc/43/27/18/557432718.db2.gz OZWCUZMAFSQNQU-RPWUZVMVSA-N 0 0 432.593 5.186 40 0 IKABRN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223109128 557432724 /nfs/dbraw/zinc/43/27/24/557432724.db2.gz XEDAHZPYSINVEW-DNQXCXABSA-N 0 0 432.593 5.186 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1Cl ZINC000014273168 557432750 /nfs/dbraw/zinc/43/27/50/557432750.db2.gz IVRUAFQXUHSTBR-UHFFFAOYSA-N 0 0 446.761 6.852 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1Cl ZINC000014273129 557432759 /nfs/dbraw/zinc/43/27/59/557432759.db2.gz AQANNLGBVMOXNQ-UHFFFAOYSA-N 0 0 441.786 6.271 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c(F)c1F ZINC000014273186 557432781 /nfs/dbraw/zinc/43/27/81/557432781.db2.gz HLXCPLCGTCYDTQ-UHFFFAOYSA-N 0 0 443.352 5.277 40 0 IKABRN CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223109888 557432782 /nfs/dbraw/zinc/43/27/82/557432782.db2.gz IRFFGNOARYZUJX-RUZDIDTESA-N 0 0 433.979 6.679 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1C ZINC000223110988 557432967 /nfs/dbraw/zinc/43/29/67/557432967.db2.gz PDFFFVSUVQVZPQ-JWQCQUIFSA-N 0 0 430.621 5.794 40 0 IKABRN CN1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2Cl)CC1 ZINC000014273660 557433228 /nfs/dbraw/zinc/43/32/28/557433228.db2.gz NQHVJBFXCWCRET-UHFFFAOYSA-N 0 0 442.003 5.157 40 0 IKABRN CCOc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)c1 ZINC000014273638 557433248 /nfs/dbraw/zinc/43/32/48/557433248.db2.gz KIDHLOTVDJHVSP-UHFFFAOYSA-N 0 0 449.982 5.313 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCCC1 ZINC000223114124 557433431 /nfs/dbraw/zinc/43/34/31/557433431.db2.gz JAAHLTPXMFFDOW-XZOQPEGZSA-N 0 0 437.996 6.300 40 0 IKABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 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435.395 5.178 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C ZINC000223144971 557438830 /nfs/dbraw/zinc/43/88/30/557438830.db2.gz BMGAUOWXTPNPSL-IBGZPJMESA-N 0 0 447.044 5.215 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000223144420 557438854 /nfs/dbraw/zinc/43/88/54/557438854.db2.gz RFKOGVMNHIOOEA-VWLOTQADSA-N 0 0 443.006 5.837 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 ZINC000223145947 557439026 /nfs/dbraw/zinc/43/90/26/557439026.db2.gz PJIXICVJAZOHNI-SFHVURJKSA-N 0 0 433.017 5.156 40 0 IKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000223153353 557439463 /nfs/dbraw/zinc/43/94/63/557439463.db2.gz CLJABEINGWPXGV-LJQANCHMSA-N 0 0 433.523 5.367 40 0 IKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000223153407 557439791 /nfs/dbraw/zinc/43/97/91/557439791.db2.gz CLJABEINGWPXGV-IBGZPJMESA-N 0 0 433.523 5.367 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223162136 557440204 /nfs/dbraw/zinc/44/02/04/557440204.db2.gz IFKPJPDGDWHZLQ-XMMPIXPASA-N 0 0 436.640 5.639 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223163907 557440505 /nfs/dbraw/zinc/44/05/05/557440505.db2.gz OLTQYFFIYKHZFU-JOCHJYFZSA-N 0 0 445.003 5.221 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223166867 557440841 /nfs/dbraw/zinc/44/08/41/557440841.db2.gz ITZVQWCWZDMKAG-OAQYLSRUSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223166952 557440857 /nfs/dbraw/zinc/44/08/57/557440857.db2.gz LWOJJXMARNYOKR-QHCPKHFHSA-N 0 0 438.612 5.085 40 0 IKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223174943 557441527 /nfs/dbraw/zinc/44/15/27/557441527.db2.gz PRIWEYGZDQMYSE-FQEVSTJZSA-N 0 0 435.574 5.780 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223184746 557442959 /nfs/dbraw/zinc/44/29/59/557442959.db2.gz 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000014405128 557443385 /nfs/dbraw/zinc/44/33/85/557443385.db2.gz PNKSDQVAZFZOBY-ISLYRVAYSA-N 0 0 436.515 5.393 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)c2C)cc1 ZINC000223192523 557443935 /nfs/dbraw/zinc/44/39/35/557443935.db2.gz ZGTSEXAKAZQOQK-LJQANCHMSA-N 0 0 448.588 5.084 40 0 IKABRN COc1ccc(/C=C(/C(=O)Nc2ccccc2Sc2ccccc2)c2ccccc2)cc1 ZINC000014411315 557444384 /nfs/dbraw/zinc/44/43/84/557444384.db2.gz INWSASJKXOSWRR-LKUDQCMESA-N 0 0 437.564 7.026 40 0 IKABRN O=C(CSCc1ccccc1Br)Nc1ccccc1Sc1ccccc1 ZINC000014413287 557445132 /nfs/dbraw/zinc/44/51/32/557445132.db2.gz AHSWEUCMDCFSJE-UHFFFAOYSA-N 0 0 444.419 6.472 40 0 IKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014400380 557445884 /nfs/dbraw/zinc/44/58/84/557445884.db2.gz MOTKHONIWVOOSC-KRWDZBQOSA-N 0 0 434.502 5.119 40 0 IKABRN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000014400242 557445899 /nfs/dbraw/zinc/44/58/99/557445899.db2.gz LMNYNXUWBHTHDL-FQEVSTJZSA-N 0 0 427.548 5.420 40 0 IKABRN O=C(Nc1ccccc1Sc1ccccc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000223205154 557445933 /nfs/dbraw/zinc/44/59/33/557445933.db2.gz STOOSOWXWBQMND-NKFKGCMQSA-N 0 0 440.524 5.840 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 ZINC000223208976 557446182 /nfs/dbraw/zinc/44/61/82/557446182.db2.gz SALFDSWWYZJJLZ-DEOSSOPVSA-N 0 0 438.612 5.185 40 0 IKABRN Cc1ccc([C@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2)c(C)c1 ZINC000223209790 557446456 /nfs/dbraw/zinc/44/64/56/557446456.db2.gz UZIGAAAEEXXKFA-XMMPIXPASA-N 0 0 427.972 6.235 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1 ZINC000014495106 557446438 /nfs/dbraw/zinc/44/64/38/557446438.db2.gz SMOQXRLCBPQWNA-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN O=C(COc1ccc2ccccc2c1Br)Nc1cccc(Br)c1 ZINC000014553007 557446458 /nfs/dbraw/zinc/44/64/58/557446458.db2.gz LUUFNWYNECTROB-UHFFFAOYSA-N 0 0 435.115 5.382 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 ZINC000223212815 557446716 /nfs/dbraw/zinc/44/67/16/557446716.db2.gz XYOXXLHMZINOLF-DEOSSOPVSA-N 0 0 438.612 5.219 40 0 IKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccco2)C[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000014607119 557447595 /nfs/dbraw/zinc/44/75/95/557447595.db2.gz XYFHZSSJBJUESM-NRFANRHFSA-N 0 0 443.503 5.591 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl ZINC000223223430 557447663 /nfs/dbraw/zinc/44/76/63/557447663.db2.gz VMOWVEBZQVSWQC-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223223069 557447730 /nfs/dbraw/zinc/44/77/30/557447730.db2.gz NWMPUQCNUHNZAK-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1OC)C[C@@H]2c1cccnc1 ZINC000014607636 557447713 /nfs/dbraw/zinc/44/77/13/557447713.db2.gz UFJJIBRFJXKCKQ-XMMPIXPASA-N 0 0 438.531 5.639 40 0 IKABRN CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccc(F)cc1)C[C@@H]2c1ccccn1 ZINC000014607604 557447810 /nfs/dbraw/zinc/44/78/10/557447810.db2.gz ZJNNEZBDEWYSDG-XMMPIXPASA-N 0 0 426.495 5.769 40 0 IKABRN CCC1=Nc2ccccc2N=C(NC(=O)Cc2cccs2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000014608113 557448201 /nfs/dbraw/zinc/44/82/01/557448201.db2.gz ZJXIWTDAXPDAQE-XMMPIXPASA-N 0 0 447.560 5.434 40 0 IKABRN CCC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000014608115 557448223 /nfs/dbraw/zinc/44/82/23/557448223.db2.gz SERQONPIDLCSKS-JOCHJYFZSA-N 0 0 433.533 5.505 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000223227501 557448526 /nfs/dbraw/zinc/44/85/26/557448526.db2.gz PRWTVKMGJCVBER-IBGZPJMESA-N 0 0 447.044 5.297 40 0 IKABRN Cc1cc(C)nc(Nc2ncc(-c3ccc(Br)cc3)n2-c2ccc(F)cc2)n1 ZINC000014608337 557448578 /nfs/dbraw/zinc/44/85/78/557448578.db2.gz HVDGHSZZRQZNIX-UHFFFAOYSA-N 0 0 438.304 5.591 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C)c1ccccc1 ZINC000014666367 557449054 /nfs/dbraw/zinc/44/90/54/557449054.db2.gz MZYNWHHZAXWGMF-LJQANCHMSA-N 0 0 430.548 5.493 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C ZINC000223236106 557449506 /nfs/dbraw/zinc/44/95/06/557449506.db2.gz CHMIOLGFEVAYLE-IBGZPJMESA-N 0 0 445.003 5.176 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(=O)N1CCCCCC1 ZINC000026120353 557451112 /nfs/dbraw/zinc/45/11/12/557451112.db2.gz CYPFQUNKZPCAJW-UHFFFAOYSA-N 0 0 446.638 5.349 40 0 IKABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 ZINC000026120367 557451175 /nfs/dbraw/zinc/45/11/75/557451175.db2.gz VZFVAAHQEYULJE-UHFFFAOYSA-N 0 0 446.638 5.096 40 0 IKABRN CCc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000223253413 557451322 /nfs/dbraw/zinc/45/13/22/557451322.db2.gz IFXWRCMCUSGGJF-UZTOHYMASA-N 0 0 444.600 5.514 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223258635 557452019 /nfs/dbraw/zinc/45/20/19/557452019.db2.gz WCSMMNURZJLKGS-XMMPIXPASA-N 0 0 438.612 5.219 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 ZINC000223258943 557452078 /nfs/dbraw/zinc/45/20/78/557452078.db2.gz ZPOMSYMSYOWWQD-HSZRJFAPSA-N 0 0 440.653 5.340 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223260984 557452414 /nfs/dbraw/zinc/45/24/14/557452414.db2.gz SEFHUFUGNGWPHF-JOCHJYFZSA-N 0 0 444.616 5.089 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223267231 557453198 /nfs/dbraw/zinc/45/31/98/557453198.db2.gz KYWKQZLSNPAAKA-FQEVSTJZSA-N 0 0 440.603 5.389 40 0 IKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1C(C)C ZINC000223267426 557453326 /nfs/dbraw/zinc/45/33/26/557453326.db2.gz KOHXCYFSEHPAOL-FQEVSTJZSA-N 0 0 433.617 6.910 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223268752 557453654 /nfs/dbraw/zinc/45/36/54/557453654.db2.gz IBUAFAQCSNXMIS-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223271517 557454356 /nfs/dbraw/zinc/45/43/56/557454356.db2.gz JJDDGPKGUQIBMT-HSZRJFAPSA-N 0 0 440.653 5.259 40 0 IKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(NC(=O)CCC)ccc2Cl)c1 ZINC000014831544 557454474 /nfs/dbraw/zinc/45/44/74/557454474.db2.gz VISUTAIEFOAWJH-UHFFFAOYSA-N 0 0 447.988 5.384 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223272770 557454543 /nfs/dbraw/zinc/45/45/43/557454543.db2.gz JAKVJMGNPPMQLV-HSZRJFAPSA-N 0 0 440.653 5.508 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223272738 557454579 /nfs/dbraw/zinc/45/45/79/557454579.db2.gz JAKVJMGNPPMQLV-QHCPKHFHSA-N 0 0 440.653 5.508 40 0 IKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c1 ZINC000014833943 557454561 /nfs/dbraw/zinc/45/45/61/557454561.db2.gz LADWXQZTWFKDGK-IZZDOVSWSA-N 0 0 436.364 5.258 40 0 IKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1C(C)C ZINC000223274036 557454592 /nfs/dbraw/zinc/45/45/92/557454592.db2.gz XJPFWLANZAHNAT-OAQYLSRUSA-N 0 0 447.644 7.219 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223276145 557454715 /nfs/dbraw/zinc/45/47/15/557454715.db2.gz IROAHZSGEOCRLN-FQEVSTJZSA-N 0 0 426.576 5.215 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223279989 557454949 /nfs/dbraw/zinc/45/49/49/557454949.db2.gz RWMGQCFZEYHIPN-HXUWFJFHSA-N 0 0 434.555 5.245 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl ZINC000223277699 557455006 /nfs/dbraw/zinc/45/50/06/557455006.db2.gz NAFSVUXJAPKVGC-IBGZPJMESA-N 0 0 441.786 5.133 40 0 IKABRN CCc1ccc(OCC(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)c(Br)c1 ZINC000223285710 557456007 /nfs/dbraw/zinc/45/60/07/557456007.db2.gz GBXFXVPNFZWYEW-IBGZPJMESA-N 0 0 446.385 5.589 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223299430 557456804 /nfs/dbraw/zinc/45/68/04/557456804.db2.gz JXSKAKVMQWLERE-XMMPIXPASA-N 0 0 438.612 5.185 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223302407 557457069 /nfs/dbraw/zinc/45/70/69/557457069.db2.gz UCEOYOOHGWMXBH-QFIPXVFZSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223305220 557457182 /nfs/dbraw/zinc/45/71/82/557457182.db2.gz VKUNQCGDHFYRQE-JOCHJYFZSA-N 0 0 444.616 5.089 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223303127 557457259 /nfs/dbraw/zinc/45/72/59/557457259.db2.gz OVCQSTQGAANMMB-HSZRJFAPSA-N 0 0 438.612 5.021 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223310357 557457722 /nfs/dbraw/zinc/45/77/22/557457722.db2.gz JQTWXPLEGSDQBG-SANMLTNESA-N 0 0 444.619 5.803 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223311125 557457944 /nfs/dbraw/zinc/45/79/44/557457944.db2.gz VOVIEQDQGFKFQC-HSZRJFAPSA-N 0 0 440.653 5.259 40 0 IKABRN Cc1cc2c(cc1C)-c1c(=S)n(-c3ccc(-c4ccccc4)cc3)sc1C(C)(C)N2 ZINC000015087239 557458104 /nfs/dbraw/zinc/45/81/04/557458104.db2.gz JBVFCRBLKKMOHQ-UHFFFAOYSA-N 0 0 428.626 7.880 40 0 IKABRN C[C@H]1CCCC(=O)CCCC=Cc2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 ZINC000102495310 557458123 /nfs/dbraw/zinc/45/81/23/557458123.db2.gz ALQNIJCGTCZRDM-HCSGDKDASA-N 0 0 436.504 5.136 40 0 IKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1C(C)C ZINC000223313859 557458223 /nfs/dbraw/zinc/45/82/23/557458223.db2.gz LOLSPBTZUAUCJQ-HXUWFJFHSA-N 0 0 433.617 6.910 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000223316608 557458468 /nfs/dbraw/zinc/45/84/68/557458468.db2.gz LLOXZSYSTRCAAP-WNCULLNHSA-N 0 0 442.603 5.092 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C[C@@H]1CCCO1 ZINC000223322397 557458932 /nfs/dbraw/zinc/45/89/32/557458932.db2.gz KDYQFMFREVJYNW-WTOYTKOKSA-N 0 0 439.968 5.147 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](CC)C(=O)NC)cc1 ZINC000223320599 557458960 /nfs/dbraw/zinc/45/89/60/557458960.db2.gz CYLRFSOORQCOGA-OAQYLSRUSA-N 0 0 435.395 5.042 40 0 IKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1C(C)C ZINC000223325993 557459300 /nfs/dbraw/zinc/45/93/00/557459300.db2.gz FMJRZIANKIOQEL-AWEZNQCLSA-N 0 0 430.397 5.614 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223329688 557459713 /nfs/dbraw/zinc/45/97/13/557459713.db2.gz LBYIEAGLEXNHNK-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000015186453 557459862 /nfs/dbraw/zinc/45/98/62/557459862.db2.gz BTVVBGCHNXKVKB-UHFFFAOYSA-N 0 0 428.463 5.453 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000223333414 557459996 /nfs/dbraw/zinc/45/99/96/557459996.db2.gz SSNSSKYCSNTLDS-QGZVFWFLSA-N 0 0 435.395 5.260 40 0 IKABRN CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000223334659 557460017 /nfs/dbraw/zinc/46/00/17/557460017.db2.gz LBFPAISSMPJIQL-HSZRJFAPSA-N 0 0 441.358 5.400 40 0 IKABRN O=C(CSCc1ccccc1Br)NCCSCc1ccc(Cl)cc1 ZINC000020238166 557460103 /nfs/dbraw/zinc/46/01/03/557460103.db2.gz JBYZKCURZWDRKQ-UHFFFAOYSA-N 0 0 444.847 5.385 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCCC1 ZINC000223341912 557460326 /nfs/dbraw/zinc/46/03/26/557460326.db2.gz SWXLRPYWPRMTMO-BJKOFHAPSA-N 0 0 434.609 5.771 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1Cc1ccccc1 ZINC000223342757 557460595 /nfs/dbraw/zinc/46/05/95/557460595.db2.gz XLDGGMSAYKLENQ-DQEYMECFSA-N 0 0 442.588 5.314 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccc(C(C)C)cc2)c1 ZINC000223343974 557460627 /nfs/dbraw/zinc/46/06/27/557460627.db2.gz DMWNOXZQJZHJCY-BWAHOGKJSA-N 0 0 430.548 5.231 40 0 IKABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000223348029 557461125 /nfs/dbraw/zinc/46/11/25/557461125.db2.gz NYSTVUSQGFIGTP-XMMPIXPASA-N 0 0 434.967 5.382 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223351649 557461431 /nfs/dbraw/zinc/46/14/31/557461431.db2.gz JGRRGTVLQUDTRB-JOCHJYFZSA-N 0 0 429.004 5.221 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223354017 557461663 /nfs/dbraw/zinc/46/16/63/557461663.db2.gz HXPUQYRFFINVLW-OAQYLSRUSA-N 0 0 449.422 5.648 40 0 IKABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223354488 557461683 /nfs/dbraw/zinc/46/16/83/557461683.db2.gz UNJOXYFFQBLGTI-MHZLTWQESA-N 0 0 428.576 5.306 40 0 IKABRN CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223357987 557462055 /nfs/dbraw/zinc/46/20/55/557462055.db2.gz LOWMNKVKUAWSMO-ZEQRLZLVSA-N 0 0 444.560 5.037 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1C ZINC000223358137 557462083 /nfs/dbraw/zinc/46/20/83/557462083.db2.gz RKTAERRRESUYLC-NRFANRHFSA-N 0 0 445.003 5.058 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000223359770 557462362 /nfs/dbraw/zinc/46/23/62/557462362.db2.gz LATQKDLOGYLVFM-GOSISDBHSA-N 0 0 449.422 5.568 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1C ZINC000223359112 557462375 /nfs/dbraw/zinc/46/23/75/557462375.db2.gz DCZLFYHSODIXOI-DNQXCXABSA-N 0 0 428.561 5.255 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccco1 ZINC000223361527 557462505 /nfs/dbraw/zinc/46/25/05/557462505.db2.gz GHCQNKGNBOXQNI-YADHBBJMSA-N 0 0 435.936 5.761 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 ZINC000223361541 557462509 /nfs/dbraw/zinc/46/25/09/557462509.db2.gz LYQXCVWAHHZADN-OAQYLSRUSA-N 0 0 447.044 5.295 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccco1 ZINC000223360492 557462514 /nfs/dbraw/zinc/46/25/14/557462514.db2.gz YINKKZSBSNTKEK-VXKWHMMOSA-N 0 0 433.558 5.592 40 0 IKABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223363935 557462986 /nfs/dbraw/zinc/46/29/86/557462986.db2.gz ATNILYQIBHMTTI-GOTSBHOMSA-N 0 0 449.963 6.069 40 0 IKABRN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1Cl ZINC000223364908 557463033 /nfs/dbraw/zinc/46/30/33/557463033.db2.gz MGRQTPPWZXTVQL-DHIUTWEWSA-N 0 0 449.963 6.069 40 0 IKABRN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015624411 557463100 /nfs/dbraw/zinc/46/31/00/557463100.db2.gz LVSCNOPLRXOBKK-UHFFFAOYSA-N 0 0 444.556 5.032 40 0 IKABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000015643814 557463122 /nfs/dbraw/zinc/46/31/22/557463122.db2.gz UKSANGUTOYCQCT-UHFFFAOYSA-N 0 0 434.561 5.089 40 0 IKABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223365880 557463319 /nfs/dbraw/zinc/46/33/19/557463319.db2.gz CKXYGUPVXBTYFQ-IBGZPJMESA-N 0 0 441.786 5.133 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000223372710 557463741 /nfs/dbraw/zinc/46/37/41/557463741.db2.gz DYRIBMRVSQKERX-KCWPFWIISA-N 0 0 442.603 5.092 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1Cc1ccccc1 ZINC000223370623 557463771 /nfs/dbraw/zinc/46/37/71/557463771.db2.gz KQKADZZBKIELCK-QZTJIDSGSA-N 0 0 430.396 5.078 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1Cc1ccccc1 ZINC000223370656 557463788 /nfs/dbraw/zinc/46/37/88/557463788.db2.gz KQKADZZBKIELCK-ROUUACIJSA-N 0 0 430.396 5.078 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1nccs1 ZINC000223373471 557463965 /nfs/dbraw/zinc/46/39/65/557463965.db2.gz VLHDJCHLDVAPIK-VXKWHMMOSA-N 0 0 445.617 5.118 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1nccs1 ZINC000223373319 557464030 /nfs/dbraw/zinc/46/40/30/557464030.db2.gz VLHDJCHLDVAPIK-FGZHOGPDSA-N 0 0 445.617 5.118 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccnc1 ZINC000223374699 557464193 /nfs/dbraw/zinc/46/41/93/557464193.db2.gz CBQJTVITEXIMMD-LOSJGSFVSA-N 0 0 439.588 5.057 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000223375087 557464266 /nfs/dbraw/zinc/46/42/66/557464266.db2.gz FITLNWVVWHBOGB-HNNXBMFYSA-N 0 0 439.358 5.009 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C ZINC000223376071 557464542 /nfs/dbraw/zinc/46/45/42/557464542.db2.gz KUKYGFGFUSMPJR-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F ZINC000223376439 557464851 /nfs/dbraw/zinc/46/48/51/557464851.db2.gz MRRLVKLXEZIWOF-OAHLLOKOSA-N 0 0 439.358 5.009 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCC1 ZINC000223380685 557465081 /nfs/dbraw/zinc/46/50/81/557465081.db2.gz NSMLAEAXGDWTMS-DQEYMECFSA-N 0 0 430.621 5.788 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCC1 ZINC000223380574 557465143 /nfs/dbraw/zinc/46/51/43/557465143.db2.gz NSMLAEAXGDWTMS-RPBOFIJWSA-N 0 0 430.621 5.788 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000223385155 557465612 /nfs/dbraw/zinc/46/56/12/557465612.db2.gz IZSMOKSAPODFEK-HBVBNRCBSA-N 0 0 448.588 5.431 40 0 IKABRN CCN(c1ccc2sc(C(=O)NC3CCCCC3)cc2c1)S(=O)(=O)c1ccccc1 ZINC000223393633 557466061 /nfs/dbraw/zinc/46/60/61/557466061.db2.gz MEUDBDGDSCJRDI-UHFFFAOYSA-N 0 0 442.606 5.179 40 0 IKABRN Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223395011 557466285 /nfs/dbraw/zinc/46/62/85/557466285.db2.gz PLDRMFGGQIXAJB-DNQXCXABSA-N 0 0 428.536 5.184 40 0 IKABRN Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223394855 557466296 /nfs/dbraw/zinc/46/62/96/557466296.db2.gz SGIJWFQLIICUMN-RPWUZVMVSA-N 0 0 428.536 5.184 40 0 IKABRN Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223395353 557466528 /nfs/dbraw/zinc/46/65/28/557466528.db2.gz WULJIOPOBYMBJS-ZEQRLZLVSA-N 0 0 428.536 5.184 40 0 IKABRN COc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000223395558 557466530 /nfs/dbraw/zinc/46/65/30/557466530.db2.gz VHKWUQHWONWVCS-UHFFFAOYSA-N 0 0 427.953 5.450 40 0 IKABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223395874 557466558 /nfs/dbraw/zinc/46/65/58/557466558.db2.gz VDLIEKXWRNHCLM-RPBOFIJWSA-N 0 0 440.572 5.054 40 0 IKABRN CCCc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000223396091 557466615 /nfs/dbraw/zinc/46/66/15/557466615.db2.gz QFSAEVMYUXTTTA-UHFFFAOYSA-N 0 0 440.008 6.394 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223396112 557466629 /nfs/dbraw/zinc/46/66/29/557466629.db2.gz HFENIQGSSNTFSO-JOCHJYFZSA-N 0 0 429.004 5.221 40 0 IKABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000223404721 557467347 /nfs/dbraw/zinc/46/73/47/557467347.db2.gz OTPKMIZWOVLSHE-QHCPKHFHSA-N 0 0 441.358 5.400 40 0 IKABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000223404810 557467370 /nfs/dbraw/zinc/46/73/70/557467370.db2.gz VHJRRJZMCAVVNW-HSZRJFAPSA-N 0 0 441.358 5.400 40 0 IKABRN O=C(CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1ccc(SC(F)F)cc1 ZINC000015879616 557467951 /nfs/dbraw/zinc/46/79/51/557467951.db2.gz PERGSSVDPKZQAM-NFAYLAGKSA-N 0 0 430.358 6.064 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000015992223 557468728 /nfs/dbraw/zinc/46/87/28/557468728.db2.gz PIVIZPUPNFIYQN-UHFFFAOYSA-N 0 0 428.941 5.034 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000223413704 557468920 /nfs/dbraw/zinc/46/89/20/557468920.db2.gz HYDQKMBNSKQKNX-RPWUZVMVSA-N 0 0 432.593 5.016 40 0 IKABRN COC(=O)c1ccc(NC2CCCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223414477 557468926 /nfs/dbraw/zinc/46/89/26/557468926.db2.gz FCHMHNHQHGNMDC-UHFFFAOYSA-N 0 0 436.961 5.062 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223413432 557468970 /nfs/dbraw/zinc/46/89/70/557468970.db2.gz ZIOYZCKDKKQIBJ-VWLOTQADSA-N 0 0 434.967 5.526 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223413562 557468976 /nfs/dbraw/zinc/46/89/76/557468976.db2.gz XGJWHSHZIYNVOQ-SANMLTNESA-N 0 0 448.994 5.835 40 0 IKABRN COC(=O)c1ccc(N[C@@H](C)c2ccccc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223415091 557469160 /nfs/dbraw/zinc/46/91/60/557469160.db2.gz UYQHJDLQVFVLGA-HNNXBMFYSA-N 0 0 444.940 5.101 40 0 IKABRN COC(=O)c1ccc(N[C@H](C)c2ccccc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223415145 557469219 /nfs/dbraw/zinc/46/92/19/557469219.db2.gz UYQHJDLQVFVLGA-OAHLLOKOSA-N 0 0 444.940 5.101 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000223416635 557469422 /nfs/dbraw/zinc/46/94/22/557469422.db2.gz RINRAOIEPJBLOR-RPWUZVMVSA-N 0 0 432.593 5.180 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223417741 557469682 /nfs/dbraw/zinc/46/96/82/557469682.db2.gz JQYFZFIQXPLCJP-RPWUZVMVSA-N 0 0 434.609 5.262 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC2CCCCC2)cc1 ZINC000223421618 557470294 /nfs/dbraw/zinc/47/02/94/557470294.db2.gz PFWWEBQVNBSXOO-UHFFFAOYSA-N 0 0 430.570 5.106 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000223422678 557470427 /nfs/dbraw/zinc/47/04/27/557470427.db2.gz WSEGNBUQYMHLBG-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000223422951 557470453 /nfs/dbraw/zinc/47/04/53/557470453.db2.gz QJPYGZSPCOYCTL-PLRJNAJWSA-N 0 0 436.511 5.265 40 0 IKABRN CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223428678 557471332 /nfs/dbraw/zinc/47/13/32/557471332.db2.gz QLZLQZUPBNVTHX-QHCPKHFHSA-N 0 0 441.358 5.052 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223429833 557471359 /nfs/dbraw/zinc/47/13/59/557471359.db2.gz QGTQECSRXBSGOQ-DQEYMECFSA-N 0 0 446.620 5.570 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2cc(C)c(O)c(-c3nc4ncccc4o3)c2)cc1Cl ZINC000016269602 557471430 /nfs/dbraw/zinc/47/14/30/557471430.db2.gz ZOYGEIYAIYHILQ-UHFFFAOYSA-N 0 0 444.274 5.472 40 0 IKABRN Cc1cc(C)c([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1C ZINC000223436521 557472114 /nfs/dbraw/zinc/47/21/14/557472114.db2.gz QGTHOQCKGIGSDW-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1 ZINC000016321444 557472316 /nfs/dbraw/zinc/47/23/16/557472316.db2.gz BZUFXWQCJOIGEB-UHFFFAOYSA-N 0 0 446.315 6.074 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223441332 557472460 /nfs/dbraw/zinc/47/24/60/557472460.db2.gz DIOVLURMOAEBIS-DEOSSOPVSA-N 0 0 440.603 5.604 40 0 IKABRN Cc1ccc2nc(-c3ccc(CNC(=O)c4sc5ccccc5c4Cl)cc3)oc2c1 ZINC000016348608 557472531 /nfs/dbraw/zinc/47/25/31/557472531.db2.gz UKSZZYWUQQWOBS-UHFFFAOYSA-N 0 0 432.932 6.601 40 0 IKABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C ZINC000223450778 557473282 /nfs/dbraw/zinc/47/32/82/557473282.db2.gz LUUDKXZMQHBGBF-KRWDZBQOSA-N 0 0 432.402 5.928 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1cccnc1 ZINC000223453624 557473930 /nfs/dbraw/zinc/47/39/30/557473930.db2.gz UJMKCUDFOVPCMN-PKTZIBPZSA-N 0 0 445.979 5.093 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCC1 ZINC000223457036 557474329 /nfs/dbraw/zinc/47/43/29/557474329.db2.gz PBPKKHBZERIYGH-DNQXCXABSA-N 0 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ZINC000016693073 557475531 /nfs/dbraw/zinc/47/55/31/557475531.db2.gz QEQAATKJJWZPQX-DHZHZOJOSA-N 0 0 438.936 6.569 40 0 IKABRN CC(C)c1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000223475220 557476547 /nfs/dbraw/zinc/47/65/47/557476547.db2.gz JPRGKKLRMOUDTL-UHFFFAOYSA-N 0 0 444.641 5.336 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 ZINC000017096603 557476793 /nfs/dbraw/zinc/47/67/93/557476793.db2.gz MPPBIGYFSOVTEP-UHFFFAOYSA-N 0 0 429.545 5.801 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3o2)c1 ZINC000017096606 557476811 /nfs/dbraw/zinc/47/68/11/557476811.db2.gz OHUYXUCQGLMMJF-UHFFFAOYSA-N 0 0 429.545 5.855 40 0 IKABRN CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000017096588 557476816 /nfs/dbraw/zinc/47/68/16/557476816.db2.gz SZVUIKWLXYCVIC-UHFFFAOYSA-N 0 0 429.545 6.021 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3)nc2c1 ZINC000017096590 557476892 /nfs/dbraw/zinc/47/68/92/557476892.db2.gz XUXQKFDVEMTRQT-INIZCTEOSA-N 0 0 429.545 6.135 40 0 IKABRN CCC(=O)Nc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000017096670 557477110 /nfs/dbraw/zinc/47/71/10/557477110.db2.gz XCTSCYDSTINRDO-UHFFFAOYSA-N 0 0 429.731 5.630 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000017096643 557477121 /nfs/dbraw/zinc/47/71/21/557477121.db2.gz HWMZNLMWFXUUPR-LJQANCHMSA-N 0 0 429.589 5.859 40 0 IKABRN O=C(COc1ccc2ccccc2c1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000017096680 557477133 /nfs/dbraw/zinc/47/71/33/557477133.db2.gz FLOCVNZIEUFDDM-UHFFFAOYSA-N 0 0 429.863 5.714 40 0 IKABRN CC1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000017096646 557477163 /nfs/dbraw/zinc/47/71/63/557477163.db2.gz OTSLVULOOCZBIZ-UHFFFAOYSA-N 0 0 429.589 5.717 40 0 IKABRN CCC(=O)Nc1cccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c1 ZINC000017096671 557477186 /nfs/dbraw/zinc/47/71/86/557477186.db2.gz PNISQVYQDPARAM-UHFFFAOYSA-N 0 0 429.731 5.630 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)cc1Cl ZINC000017096737 557477451 /nfs/dbraw/zinc/47/74/51/557477451.db2.gz XCCIUXHFBHUULA-FPYGCLRLSA-N 0 0 430.154 5.282 40 0 IKABRN CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 ZINC000017096781 557477666 /nfs/dbraw/zinc/47/76/66/557477666.db2.gz DUHLEGQBURVALG-UHFFFAOYSA-N 0 0 430.335 5.258 40 0 IKABRN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 ZINC000017096933 557477814 /nfs/dbraw/zinc/47/78/14/557477814.db2.gz YYKSYLAAFVVYHS-UHFFFAOYSA-N 0 0 430.504 6.278 40 0 IKABRN CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2ccc(F)cc2)Nc2ccccc2S3)cc1 ZINC000017096923 557477856 /nfs/dbraw/zinc/47/78/56/557477856.db2.gz NQTHHMOVWIUFCK-QFIPXVFZSA-N 0 0 430.504 5.475 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 ZINC000017096935 557477893 /nfs/dbraw/zinc/47/78/93/557477893.db2.gz RQHOYTHDYFJBBG-QGZVFWFLSA-N 0 0 430.504 6.034 40 0 IKABRN COc1cc(OC)cc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 ZINC000017096969 557478144 /nfs/dbraw/zinc/47/81/44/557478144.db2.gz QHXFGFSCTQKCOF-UHFFFAOYSA-N 0 0 430.508 5.122 40 0 IKABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000017097203 557478358 /nfs/dbraw/zinc/47/83/58/557478358.db2.gz BRPCHDSJLMHPJM-UHFFFAOYSA-N 0 0 430.744 5.122 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)c(C)c3)o2)cc1Cl ZINC000017097202 557478411 /nfs/dbraw/zinc/47/84/11/557478411.db2.gz SPOZUNHOHAJQOA-JXMROGBWSA-N 0 0 430.729 6.631 40 0 IKABRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017097250 557478517 /nfs/dbraw/zinc/47/85/17/557478517.db2.gz GMVPPEUZQBZPEN-UHFFFAOYSA-N 0 0 430.916 7.129 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3)nc2c1 ZINC000017097264 557478548 /nfs/dbraw/zinc/47/85/48/557478548.db2.gz ITMZOLCJVJKYJQ-GFGNLIMNSA-N 0 0 430.935 7.314 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccncc1 ZINC000223489263 557478622 /nfs/dbraw/zinc/47/86/22/557478622.db2.gz GCBXQDIDRJONSN-DHIUTWEWSA-N 0 0 445.979 5.093 40 0 IKABRN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000017097402 557478765 /nfs/dbraw/zinc/47/87/65/557478765.db2.gz JEKHKZLZLWSMDE-UHFFFAOYSA-N 0 0 431.344 5.699 40 0 IKABRN Cc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000017097425 557478993 /nfs/dbraw/zinc/47/89/93/557478993.db2.gz NGDIDQRGLRRTIN-JXMROGBWSA-N 0 0 431.344 6.088 40 0 IKABRN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000017097423 557479071 /nfs/dbraw/zinc/47/90/71/557479071.db2.gz VHULWNRKZJGRDS-UHFFFAOYSA-N 0 0 431.344 5.699 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCC1 ZINC000223492979 557479130 /nfs/dbraw/zinc/47/91/30/557479130.db2.gz ICJJYYMFDYPCQE-ZEQRLZLVSA-N 0 0 431.609 5.183 40 0 IKABRN COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3o2)c1 ZINC000017097524 557479199 /nfs/dbraw/zinc/47/91/99/557479199.db2.gz ZNQPLUUQOGPUAU-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4)ccc3o2)c1 ZINC000017097543 557479200 /nfs/dbraw/zinc/47/92/00/557479200.db2.gz SCMPRERNOIBNAO-UHFFFAOYSA-N 0 0 431.517 5.004 40 0 IKABRN COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 ZINC000017097530 557479205 /nfs/dbraw/zinc/47/92/05/557479205.db2.gz NTGXVWWGUBUPBI-UHFFFAOYSA-N 0 0 431.517 5.247 40 0 IKABRN Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)c1 ZINC000017097554 557479240 /nfs/dbraw/zinc/47/92/40/557479240.db2.gz SIOBQTWEZZRPRN-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3O)oc2c1 ZINC000017097566 557479503 /nfs/dbraw/zinc/47/95/03/557479503.db2.gz CKSYTIBWWNUOAV-UHFFFAOYSA-N 0 0 431.517 5.252 40 0 IKABRN Cc1ccnc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000017097822 557479982 /nfs/dbraw/zinc/47/99/82/557479982.db2.gz DGFBQQBRXCRVGW-QPJJXVBHSA-N 0 0 432.332 5.483 40 0 IKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Cl ZINC000017097770 557480036 /nfs/dbraw/zinc/48/00/36/557480036.db2.gz YRMDGTSNFPWVIR-HNNXBMFYSA-N 0 0 431.989 5.244 40 0 IKABRN Cc1cccnc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000017097818 557480041 /nfs/dbraw/zinc/48/00/41/557480041.db2.gz IAYOZJFJDDFQSC-FNORWQNLSA-N 0 0 432.332 5.483 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1 ZINC000017097808 557480050 /nfs/dbraw/zinc/48/00/50/557480050.db2.gz WWYVWUVUDDFRBA-KPKJPENVSA-N 0 0 432.314 5.067 40 0 IKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000017097836 557480198 /nfs/dbraw/zinc/48/01/98/557480198.db2.gz LPONWVCOFCIWRH-UHFFFAOYSA-N 0 0 432.343 5.116 40 0 IKABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccccc1F ZINC000017097920 557480420 /nfs/dbraw/zinc/48/04/20/557480420.db2.gz LBSDXKJUEGZQDK-UHFFFAOYSA-N 0 0 432.476 5.034 40 0 IKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000017097998 557480489 /nfs/dbraw/zinc/48/04/89/557480489.db2.gz QGCXARFRFHCMQW-SFQUDFHCSA-N 0 0 432.523 7.423 40 0 IKABRN COc1cccc(OC)c1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000017097989 557480495 /nfs/dbraw/zinc/48/04/95/557480495.db2.gz YIHCWLXPEIAHEY-UHFFFAOYSA-N 0 0 432.520 5.506 40 0 IKABRN COc1ccc(-c2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1OC ZINC000017098235 557480584 /nfs/dbraw/zinc/48/05/84/557480584.db2.gz HCPGEZYUJJMCOU-UHFFFAOYSA-N 0 0 432.929 5.277 40 0 IKABRN Cc1cccc(N2C(=O)C3=C(C2=O)[C@H](c2ccc(Cl)cc2)Nc2ccccc2S3)c1 ZINC000017098243 557480610 /nfs/dbraw/zinc/48/06/10/557480610.db2.gz MQAXJEWOMVBLAE-NRFANRHFSA-N 0 0 432.932 5.735 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1C ZINC000223510072 557480703 /nfs/dbraw/zinc/48/07/03/557480703.db2.gz DIZYHALUHNZOGB-LOSJGSFVSA-N 0 0 439.588 5.057 40 0 IKABRN Cc1ccc(C(C)C)c(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000017098334 557480777 /nfs/dbraw/zinc/48/07/77/557480777.db2.gz QPLIZEWNHXYGCA-UHFFFAOYSA-N 0 0 433.331 6.807 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1Cl ZINC000017098304 557480822 /nfs/dbraw/zinc/48/08/22/557480822.db2.gz JUWCKHBMFJOZTL-UHFFFAOYSA-N 0 0 433.257 5.873 40 0 IKABRN Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 ZINC000223511758 557480893 /nfs/dbraw/zinc/48/08/93/557480893.db2.gz KZLYTWXYCMNPIG-PKTZIBPZSA-N 0 0 430.508 5.048 40 0 IKABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000017098352 557480979 /nfs/dbraw/zinc/48/09/79/557480979.db2.gz HXUQYLOOIKADED-UHFFFAOYSA-N 0 0 433.364 5.051 40 0 IKABRN CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017098348 557481018 /nfs/dbraw/zinc/48/10/18/557481018.db2.gz NZLRRXNEOLKHPH-UHFFFAOYSA-N 0 0 433.360 6.504 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccncc1 ZINC000223511973 557481129 /nfs/dbraw/zinc/48/11/29/557481129.db2.gz GXZUFTAAOTXXJH-GOTSBHOMSA-N 0 0 446.963 5.563 40 0 IKABRN CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(F)c4)c3)nc2c1 ZINC000017098441 557481208 /nfs/dbraw/zinc/48/12/08/557481208.db2.gz XOZDZDVSFGJUFA-UHFFFAOYSA-N 0 0 433.508 5.884 40 0 IKABRN COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000017098556 557481386 /nfs/dbraw/zinc/48/13/86/557481386.db2.gz KKTVCIZJHRYZIE-UHFFFAOYSA-N 0 0 433.558 5.407 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000017098553 557481465 /nfs/dbraw/zinc/48/14/65/557481465.db2.gz CPRPVHSUJVNXEO-UHFFFAOYSA-N 0 0 433.558 5.407 40 0 IKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 ZINC000017098696 557481583 /nfs/dbraw/zinc/48/15/83/557481583.db2.gz SFRFZFQVHWZFEI-UHFFFAOYSA-N 0 0 433.943 5.481 40 0 IKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 ZINC000017098698 557481590 /nfs/dbraw/zinc/48/15/90/557481590.db2.gz IGTYLWFQSNYBFB-UHFFFAOYSA-N 0 0 433.943 5.481 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 ZINC000017098673 557481597 /nfs/dbraw/zinc/48/15/97/557481597.db2.gz PEAPUGOFZDZEQC-INIZCTEOSA-N 0 0 433.939 6.414 40 0 IKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cc(Cl)ccc1Cl ZINC000017098641 557481644 /nfs/dbraw/zinc/48/16/44/557481644.db2.gz OFRLTYMJPPHCGW-UHFFFAOYSA-N 0 0 433.747 7.176 40 0 IKABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2Cl)CC1 ZINC000017098767 557481859 /nfs/dbraw/zinc/48/18/59/557481859.db2.gz VPLPKXOQBHENQS-UHFFFAOYSA-N 0 0 434.367 5.003 40 0 IKABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000017099085 557482217 /nfs/dbraw/zinc/48/22/17/557482217.db2.gz XEVKCYORRNGUOL-KRWDZBQOSA-N 0 0 434.561 5.612 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1Cl ZINC000017099223 557482238 /nfs/dbraw/zinc/48/22/38/557482238.db2.gz ZZTONSBCPUOKTG-UHFFFAOYSA-N 0 0 434.879 5.990 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000017099264 557482315 /nfs/dbraw/zinc/48/23/15/557482315.db2.gz SKRAELKIZDVXIY-MRXNPFEDSA-N 0 0 434.923 6.679 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 ZINC000017099259 557482351 /nfs/dbraw/zinc/48/23/51/557482351.db2.gz LZUYJEWWGOIPJW-INIZCTEOSA-N 0 0 434.923 6.679 40 0 IKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(OCC(C)C)cc4)c3)oc2c1 ZINC000017099263 557482421 /nfs/dbraw/zinc/48/24/21/557482421.db2.gz LLUFEDLTZYSZOI-UHFFFAOYSA-N 0 0 434.923 6.744 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000017099334 557482593 /nfs/dbraw/zinc/48/25/93/557482593.db2.gz CTMFHOQGCMFTTL-UHFFFAOYSA-N 0 0 434.952 5.573 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3Cl)oc2c1 ZINC000017099286 557482611 /nfs/dbraw/zinc/48/26/11/557482611.db2.gz FVGFTFRGEGRRQE-UHFFFAOYSA-N 0 0 434.923 6.744 40 0 IKABRN COc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1Cl ZINC000017099302 557482629 /nfs/dbraw/zinc/48/26/29/557482629.db2.gz SQXMWZPDALVCMS-UHFFFAOYSA-N 0 0 434.927 5.767 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCC1 ZINC000223532399 557482653 /nfs/dbraw/zinc/48/26/53/557482653.db2.gz LQNKQGVAASRQPD-DNQXCXABSA-N 0 0 431.609 5.183 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCC1 ZINC000223532462 557482820 /nfs/dbraw/zinc/48/28/20/557482820.db2.gz LQNKQGVAASRQPD-RPWUZVMVSA-N 0 0 431.609 5.183 40 0 IKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1cccc2ccccc21 ZINC000017099365 557482894 /nfs/dbraw/zinc/48/28/94/557482894.db2.gz BTSFBQUIWGTVRK-UHFFFAOYSA-N 0 0 435.115 5.626 40 0 IKABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 ZINC000223532894 557482903 /nfs/dbraw/zinc/48/29/03/557482903.db2.gz OXMUSGBVPXIVSL-JYBCESJWSA-N 0 0 434.561 5.022 40 0 IKABRN O=C(Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1)c1cccc(Cl)c1 ZINC000017099404 557483025 /nfs/dbraw/zinc/48/30/25/557483025.db2.gz CJSNAXVAJDHBBW-UHFFFAOYSA-N 0 0 435.310 6.651 40 0 IKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3O)nc2c1 ZINC000017099494 557483033 /nfs/dbraw/zinc/48/30/33/557483033.db2.gz CFRWVTRWGUBVFK-UHFFFAOYSA-N 0 0 435.480 5.029 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3O)nc2c1 ZINC000017099498 557483083 /nfs/dbraw/zinc/48/30/83/557483083.db2.gz YGTAXBGQIVZGOV-UHFFFAOYSA-N 0 0 435.480 5.029 40 0 IKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Br)cc(C)c1OC ZINC000017099456 557483089 /nfs/dbraw/zinc/48/30/89/557483089.db2.gz PYMAETFDCHALFV-LBPRGKRZSA-N 0 0 435.387 5.406 40 0 IKABRN Cc1cc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1C ZINC000017099432 557483097 /nfs/dbraw/zinc/48/30/97/557483097.db2.gz ZHWVXXMDIFGZCU-UHFFFAOYSA-N 0 0 435.332 5.703 40 0 IKABRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)cc1 ZINC000017099459 557483099 /nfs/dbraw/zinc/48/30/99/557483099.db2.gz UUBLTVFLMBMXDE-LBPRGKRZSA-N 0 0 435.387 5.406 40 0 IKABRN O=C(Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1)c1cccc(Cl)c1 ZINC000017099403 557483102 /nfs/dbraw/zinc/48/31/02/557483102.db2.gz UOJHJNZPCBEZGA-UHFFFAOYSA-N 0 0 435.310 6.651 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C ZINC000223540143 557483232 /nfs/dbraw/zinc/48/32/32/557483232.db2.gz ROYYEJRDHXQQBK-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN Cc1cc(NC(=O)c2cccc3c(Cl)cccc23)c(C)cc1I ZINC000017099706 557483478 /nfs/dbraw/zinc/48/34/78/557483478.db2.gz BZBQVUZULCKWDV-UHFFFAOYSA-N 0 0 435.692 5.967 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223541486 557483533 /nfs/dbraw/zinc/48/35/33/557483533.db2.gz APUIRDJZBWBBBN-FQEVSTJZSA-N 0 0 435.395 5.258 40 0 IKABRN CC(C)c1ccc(OCC(=O)NCCOc2cccc3ccccc32)c(Br)c1 ZINC000223543259 557483541 /nfs/dbraw/zinc/48/35/41/557483541.db2.gz MAMXNYQXJFISII-UHFFFAOYSA-N 0 0 442.353 5.300 40 0 IKABRN CCCCOc1cccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2C)c1 ZINC000017099648 557483519 /nfs/dbraw/zinc/48/35/19/557483519.db2.gz DVFHNRBDUKTFAC-UHFFFAOYSA-N 0 0 435.553 5.155 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000017099824 557483534 /nfs/dbraw/zinc/48/35/34/557483534.db2.gz LBIAFRKQBFTBQI-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223544871 557483795 /nfs/dbraw/zinc/48/37/95/557483795.db2.gz OWYLFDFGIZWEBZ-AREMUKBSSA-N 0 0 434.580 5.182 40 0 IKABRN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=S)NC(=O)C(C)(C)C ZINC000017100020 557483987 /nfs/dbraw/zinc/48/39/87/557483987.db2.gz NVYJJUNYWDUDGQ-UHFFFAOYSA-N 0 0 436.364 5.969 40 0 IKABRN CC1CCN(c2ccc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000017100043 557483991 /nfs/dbraw/zinc/48/39/91/557483991.db2.gz QIRPJJWSHWXMAR-UHFFFAOYSA-N 0 0 436.408 5.285 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)nc2c(C)c1 ZINC000017100032 557483998 /nfs/dbraw/zinc/48/39/98/557483998.db2.gz VZYUTMFJMJDHSS-GQCTYLIASA-N 0 0 436.389 5.746 40 0 IKABRN CCCCC(=O)NC(=S)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1OC ZINC000017094529 557484335 /nfs/dbraw/zinc/48/43/35/557484335.db2.gz HVQQJFCRVZBOCU-UHFFFAOYSA-N 0 0 425.554 5.630 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000223550549 557484693 /nfs/dbraw/zinc/48/46/93/557484693.db2.gz GIPIRUCKRXRUIY-JOCHJYFZSA-N 0 0 444.641 5.140 40 0 IKABRN CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000017094680 557484852 /nfs/dbraw/zinc/48/48/52/557484852.db2.gz SFZWPOBLIDCCOX-UHFFFAOYSA-N 0 0 425.941 5.359 40 0 IKABRN Cc1nc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1Br ZINC000017094698 557484857 /nfs/dbraw/zinc/48/48/57/557484857.db2.gz QPWAPKVIMSRANT-UHFFFAOYSA-N 0 0 426.097 5.972 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1nc2ccc(F)cc2s1 ZINC000017094743 557485087 /nfs/dbraw/zinc/48/50/87/557485087.db2.gz XVLPZLIMXAGLOI-QHHAFSJGSA-N 0 0 426.325 5.269 40 0 IKABRN Cc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@@]21Nc2ccccc2S1 ZINC000017095085 557485440 /nfs/dbraw/zinc/48/54/40/557485440.db2.gz POMSHNKGWLIECI-KAYWLYCHSA-N 0 0 426.585 6.201 40 0 IKABRN Cc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@@]21Nc2ccccc2S1 ZINC000017095083 557485492 /nfs/dbraw/zinc/48/54/92/557485492.db2.gz POMSHNKGWLIECI-RRPNLBNLSA-N 0 0 426.585 6.201 40 0 IKABRN C[C@H]1CCc2c(sc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2C(N)=O)C1 ZINC000017095078 557485530 /nfs/dbraw/zinc/48/55/30/557485530.db2.gz ARXZJDFURXKEGI-HNNXBMFYSA-N 0 0 426.582 5.037 40 0 IKABRN C[C@@H](NC(=S)NC(=O)c1cccc2c(Cl)cccc12)C12CC3CC(CC(C3)C1)C2 ZINC000017095232 557485665 /nfs/dbraw/zinc/48/56/65/557485665.db2.gz JTQJNIRPSOZYBD-ZJRYTYELSA-N 0 0 427.013 5.702 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 ZINC000223557631 557485742 /nfs/dbraw/zinc/48/57/42/557485742.db2.gz PIXQDYMWDKQPJX-OAQYLSRUSA-N 0 0 444.641 5.085 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000017095203 557485749 /nfs/dbraw/zinc/48/57/49/557485749.db2.gz VIAQJPWMHIGVPF-UHFFFAOYSA-N 0 0 426.925 5.576 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)c(C)c1 ZINC000017095178 557485756 /nfs/dbraw/zinc/48/57/56/557485756.db2.gz PEDBXWPXBVJIRG-UHFFFAOYSA-N 0 0 426.903 7.171 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc(Cl)cc(Cl)c1 ZINC000017095239 557485945 /nfs/dbraw/zinc/48/59/45/557485945.db2.gz FYOLEWNJFZWZFR-DUXPYHPUSA-N 0 0 427.114 7.212 40 0 IKABRN O=C(NCCOc1cccc2ccccc21)c1cc(Cl)ccc1OCc1ccccc1 ZINC000223559284 557485943 /nfs/dbraw/zinc/48/59/43/557485943.db2.gz SJKPHEPWPQNDCU-UHFFFAOYSA-N 0 0 431.919 5.881 40 0 IKABRN COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000017095277 557485966 /nfs/dbraw/zinc/48/59/66/557485966.db2.gz IPEIELVAXWJVDO-UHFFFAOYSA-N 0 0 427.287 6.371 40 0 IKABRN COc1c(Cl)cc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1Cl ZINC000017095275 557485979 /nfs/dbraw/zinc/48/59/79/557485979.db2.gz XBBLYLDDDDPEBM-UHFFFAOYSA-N 0 0 427.287 5.740 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1N1CCCC1 ZINC000017095312 557486135 /nfs/dbraw/zinc/48/61/35/557486135.db2.gz WANLSWNBMPPBGT-FMIVXFBMSA-N 0 0 427.331 6.506 40 0 IKABRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Cl)ccc1Cl ZINC000017095604 557486330 /nfs/dbraw/zinc/48/63/30/557486330.db2.gz MXVQCXQHRAACMC-UHFFFAOYSA-N 0 0 427.662 5.792 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1Cl ZINC000017095496 557486334 /nfs/dbraw/zinc/48/63/34/557486334.db2.gz DJILULWEAUDLEX-UHFFFAOYSA-N 0 0 427.542 6.588 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cc(Cl)ccc2Cl)c1Cl ZINC000017095497 557486337 /nfs/dbraw/zinc/48/63/37/557486337.db2.gz ZOBMZUTZOKSONL-UHFFFAOYSA-N 0 0 427.542 6.588 40 0 IKABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000017095649 557486508 /nfs/dbraw/zinc/48/65/08/557486508.db2.gz GRVYMCKFWNCHGC-UHFFFAOYSA-N 0 0 427.913 5.075 40 0 IKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000017095692 557486526 /nfs/dbraw/zinc/48/65/26/557486526.db2.gz UFXLAMPHWGUDHJ-UHFFFAOYSA-N 0 0 428.275 5.523 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1Cl ZINC000017095621 557486570 /nfs/dbraw/zinc/48/65/70/557486570.db2.gz FTOFYPGMPRRJEN-UHFFFAOYSA-N 0 0 427.759 6.144 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccccc2)cc1 ZINC000017095707 557486780 /nfs/dbraw/zinc/48/67/80/557486780.db2.gz CPUALWMQTCKZKF-UHFFFAOYSA-N 0 0 428.315 6.017 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000223564201 557486900 /nfs/dbraw/zinc/48/69/00/557486900.db2.gz KMARWZMWCCMHIE-HSZRJFAPSA-N 0 0 426.626 5.201 40 0 IKABRN O=C(NC(=S)Nc1c(O)ccc2ccccc21)c1ccc(OCc2ccccc2)cc1 ZINC000017095891 557486988 /nfs/dbraw/zinc/48/69/88/557486988.db2.gz HQTZFNMUVBCLHL-UHFFFAOYSA-N 0 0 428.513 5.251 40 0 IKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000223568466 557487001 /nfs/dbraw/zinc/48/70/01/557487001.db2.gz UOXNZXHOIVUGBW-VQTJNVASSA-N 0 0 442.559 5.462 40 0 IKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000017095928 557487032 /nfs/dbraw/zinc/48/70/32/557487032.db2.gz QHWOVUWADVIHIP-UHFFFAOYSA-N 0 0 428.532 6.670 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)nc2c1 ZINC000017095957 557487316 /nfs/dbraw/zinc/48/73/16/557487316.db2.gz FXEJILLSOOTZTE-SFHVURJKSA-N 0 0 428.532 7.048 40 0 IKABRN CCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1 ZINC000017095961 557487319 /nfs/dbraw/zinc/48/73/19/557487319.db2.gz KEUCKKLDSRMYGY-GOSISDBHSA-N 0 0 428.532 7.049 40 0 IKABRN CCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 ZINC000017095960 557487327 /nfs/dbraw/zinc/48/73/27/557487327.db2.gz KEUCKKLDSRMYGY-SFHVURJKSA-N 0 0 428.532 7.049 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 ZINC000017095943 557487328 /nfs/dbraw/zinc/48/73/28/557487328.db2.gz OSRYQJBLUSKNLI-GOSISDBHSA-N 0 0 428.532 6.643 40 0 IKABRN CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc([C@@H](C)CC)cc4)c3)nc2c1 ZINC000017095930 557487377 /nfs/dbraw/zinc/48/73/77/557487377.db2.gz ADSDQDZBCSXQDR-SFHVURJKSA-N 0 0 428.532 6.588 40 0 IKABRN CCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 ZINC000017095965 557487420 /nfs/dbraw/zinc/48/74/20/557487420.db2.gz MYVOZSDRZVKLCR-SFHVURJKSA-N 0 0 428.532 6.588 40 0 IKABRN CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 ZINC000017096001 557487747 /nfs/dbraw/zinc/48/77/47/557487747.db2.gz IGJCCECFHKUHLP-UHFFFAOYSA-N 0 0 428.536 5.893 40 0 IKABRN CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc([C@@H](C)CC)cc4)cc3)nc2c1 ZINC000017095971 557487764 /nfs/dbraw/zinc/48/77/64/557487764.db2.gz FETXDIRCBKUYFB-SFHVURJKSA-N 0 0 428.532 6.588 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000017096122 557487820 /nfs/dbraw/zinc/48/78/20/557487820.db2.gz SDIMWTLLRVZXPY-UHFFFAOYSA-N 0 0 428.598 5.063 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000017096118 557487846 /nfs/dbraw/zinc/48/78/46/557487846.db2.gz OPKXTNAJFNGRMU-INIZCTEOSA-N 0 0 428.598 5.429 40 0 IKABRN O=C(COc1ccccc1Cl)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1 ZINC000017096190 557487929 /nfs/dbraw/zinc/48/79/29/557487929.db2.gz MMMZADNXMPSVGY-UHFFFAOYSA-N 0 0 428.879 5.245 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000017096311 557488148 /nfs/dbraw/zinc/48/81/48/557488148.db2.gz AUXQGWFKLNXOSG-UHFFFAOYSA-N 0 0 429.303 5.815 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)NC3C4CC5CC(C4)CC3C5)o2)cc1Cl ZINC000017096261 557488187 /nfs/dbraw/zinc/48/81/87/557488187.db2.gz MOJBYHOYAFIWNK-UHFFFAOYSA-N 0 0 428.985 5.337 40 0 IKABRN COc1cccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000017096352 557488290 /nfs/dbraw/zinc/48/82/90/557488290.db2.gz GXKCAPIBIMQYIO-UHFFFAOYSA-N 0 0 429.328 6.531 40 0 IKABRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)CC1 ZINC000017096360 557488548 /nfs/dbraw/zinc/48/85/48/557488548.db2.gz JTJMYBYAOLQYJA-UHFFFAOYSA-N 0 0 429.347 6.742 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000017096367 557488565 /nfs/dbraw/zinc/48/85/65/557488565.db2.gz RBXZEGRSISTJDY-OAHLLOKOSA-N 0 0 429.347 6.885 40 0 IKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000017096375 557488569 /nfs/dbraw/zinc/48/85/69/557488569.db2.gz IMAXROXTZIPQDD-HNNXBMFYSA-N 0 0 429.347 6.885 40 0 IKABRN CCOc1ccccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000017096357 557488579 /nfs/dbraw/zinc/48/85/79/557488579.db2.gz KFNRRXAQWFTQEB-UHFFFAOYSA-N 0 0 429.339 5.128 40 0 IKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000017096371 557488591 /nfs/dbraw/zinc/48/85/91/557488591.db2.gz KAGBLOQYRKWJGZ-HNNXBMFYSA-N 0 0 429.347 6.885 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223583339 557488836 /nfs/dbraw/zinc/48/88/36/557488836.db2.gz KNOQGEGDPTYMEB-JOCHJYFZSA-N 0 0 428.576 5.070 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)c(Cl)c1 ZINC000017100896 557489554 /nfs/dbraw/zinc/48/95/54/557489554.db2.gz NYZRVOUTWJVXGO-UHFFFAOYSA-N 0 0 436.924 5.287 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1Cl ZINC000017100902 557489559 /nfs/dbraw/zinc/48/95/59/557489559.db2.gz XVZHRVPWWXIPAG-UHFFFAOYSA-N 0 0 436.924 5.287 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 ZINC000017100891 557489571 /nfs/dbraw/zinc/48/95/71/557489571.db2.gz UNEZYTRCEYQVSF-UHFFFAOYSA-N 0 0 436.924 5.232 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 ZINC000223589768 557489644 /nfs/dbraw/zinc/48/96/44/557489644.db2.gz NFPXAXHTSNUAMZ-SFHVURJKSA-N 0 0 433.017 5.074 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4c(O)cccc34)o2)cc1Cl ZINC000017100883 557489626 /nfs/dbraw/zinc/48/96/26/557489626.db2.gz VXTXFHYBRICDPN-UHFFFAOYSA-N 0 0 436.920 5.894 40 0 IKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000017101023 557489834 /nfs/dbraw/zinc/48/98/34/557489834.db2.gz DMIHCFMZZIAAHH-GFCCVEGCSA-N 0 0 437.030 5.382 40 0 IKABRN COc1ccc(Br)cc1C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000017101098 557489842 /nfs/dbraw/zinc/48/98/42/557489842.db2.gz CTKORLYTVHULLA-UHFFFAOYSA-N 0 0 437.293 5.196 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1Br ZINC000017101032 557489874 /nfs/dbraw/zinc/48/98/74/557489874.db2.gz RZPVTQOOWRASGG-SOFGYWHQSA-N 0 0 437.120 6.668 40 0 IKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000017101092 557489883 /nfs/dbraw/zinc/48/98/83/557489883.db2.gz ROJWLHSGBJGWBP-UHFFFAOYSA-N 0 0 437.293 5.827 40 0 IKABRN Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C)cc1I ZINC000017101148 557490065 /nfs/dbraw/zinc/49/00/65/557490065.db2.gz XJUTXQQZZAURSD-UHFFFAOYSA-N 0 0 437.321 5.223 40 0 IKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000017101351 557490102 /nfs/dbraw/zinc/49/01/02/557490102.db2.gz UZRTZJYHTUOJMO-UHFFFAOYSA-N 0 0 437.490 5.265 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223595808 557490084 /nfs/dbraw/zinc/49/00/84/557490084.db2.gz GJCWXLLSNWDVGM-QFIPXVFZSA-N 0 0 445.003 5.059 40 0 IKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(C(C)C)cc1 ZINC000017101521 557490330 /nfs/dbraw/zinc/49/03/30/557490330.db2.gz VKFUIKKHGJCYLO-SANMLTNESA-N 0 0 437.543 6.149 40 0 IKABRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc2ccccc21 ZINC000017101487 557490335 /nfs/dbraw/zinc/49/03/35/557490335.db2.gz IAHJUCBUPCOMAM-UHFFFAOYSA-N 0 0 437.524 5.453 40 0 IKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000017101679 557490337 /nfs/dbraw/zinc/49/03/37/557490337.db2.gz HULPQFVAQOAGLB-UHFFFAOYSA-N 0 0 437.710 6.508 40 0 IKABRN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc2c(Br)cccc12 ZINC000017101682 557490572 /nfs/dbraw/zinc/49/05/72/557490572.db2.gz NLXGVDRUEPSNPC-UHFFFAOYSA-N 0 0 437.721 5.522 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3O)oc2c1 ZINC000017101753 557490631 /nfs/dbraw/zinc/49/06/31/557490631.db2.gz CEKNOUHSIWWFGD-UHFFFAOYSA-N 0 0 437.908 5.289 40 0 IKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000017101805 557490648 /nfs/dbraw/zinc/49/06/48/557490648.db2.gz NWCWOKRKPLANKN-UHFFFAOYSA-N 0 0 437.952 6.161 40 0 IKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2s1 ZINC000017101937 557490739 /nfs/dbraw/zinc/49/07/39/557490739.db2.gz DZTLRBIKTJOVCE-UHFFFAOYSA-N 0 0 438.336 5.603 40 0 IKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3OC)cc2s1 ZINC000017101939 557490750 /nfs/dbraw/zinc/49/07/50/557490750.db2.gz BEUUZVAPDXVXTF-UHFFFAOYSA-N 0 0 438.336 5.603 40 0 IKABRN COc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)nc2cc1Cl ZINC000017101978 557490773 /nfs/dbraw/zinc/49/07/73/557490773.db2.gz PLGVDBHVGKGELZ-QPJJXVBHSA-N 0 0 438.361 5.138 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223605341 557491043 /nfs/dbraw/zinc/49/10/43/557491043.db2.gz QUZCQSZFWUPXPG-QHCPKHFHSA-N 0 0 438.612 5.087 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223605285 557491105 /nfs/dbraw/zinc/49/11/05/557491105.db2.gz QUZCQSZFWUPXPG-HSZRJFAPSA-N 0 0 438.612 5.087 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Br)cn2)c1Cl ZINC000017102357 557491248 /nfs/dbraw/zinc/49/12/48/557491248.db2.gz YTYWOLKSADSKEV-UHFFFAOYSA-N 0 0 438.536 5.439 40 0 IKABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1Cl ZINC000017102631 557491282 /nfs/dbraw/zinc/49/12/82/557491282.db2.gz BOQATSRIPNSVNM-UHFFFAOYSA-N 0 0 438.561 5.536 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 ZINC000223611281 557491588 /nfs/dbraw/zinc/49/15/88/557491588.db2.gz KNMVLFBPDCQPQX-XMMPIXPASA-N 0 0 440.653 5.509 40 0 IKABRN Cc1nc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)ccc1I ZINC000017102741 557491536 /nfs/dbraw/zinc/49/15/36/557491536.db2.gz 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557492049 /nfs/dbraw/zinc/49/20/49/557492049.db2.gz HVLISDCZNOWXRB-UHFFFAOYSA-N 0 0 442.353 5.300 40 0 IKABRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](C)[C@@]5(O)C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000118913588 557493496 /nfs/dbraw/zinc/49/34/96/557493496.db2.gz KEOLCBLQBIWDBI-ICIAEEIVSA-N 0 0 446.672 5.155 40 0 IKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](C)[C@@]5(O)C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000118913589 557493544 /nfs/dbraw/zinc/49/35/44/557493544.db2.gz KEOLCBLQBIWDBI-HPVRMYKESA-N 0 0 446.672 5.155 40 0 IKABRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118916304 557493837 /nfs/dbraw/zinc/49/38/37/557493837.db2.gz AHQGBTJUQBJWCN-XMLICAENSA-N 0 0 436.592 6.107 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)OC5CCCCC5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118933545 557494052 /nfs/dbraw/zinc/49/40/52/557494052.db2.gz PSZQIJKWYLUAAC-XMLICAENSA-N 0 0 442.640 6.373 40 0 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557503503 /nfs/dbraw/zinc/50/35/03/557503503.db2.gz FLTCRPOKLDDDHA-KRWDZBQOSA-N 0 0 443.572 6.444 40 0 IKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)/C=C/c2ccco2)cc1 ZINC000019639815 557503664 /nfs/dbraw/zinc/50/36/64/557503664.db2.gz HXEYERJDVOADBD-OUKQBFOZSA-N 0 0 444.314 6.010 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223704918 557504086 /nfs/dbraw/zinc/50/40/86/557504086.db2.gz ODGICDSXVVUDIH-XMMPIXPASA-N 0 0 440.653 5.509 40 0 IKABRN O=C(COc1cccc2ccccc21)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000019642551 557504129 /nfs/dbraw/zinc/50/41/29/557504129.db2.gz FXDWFAXMEBJUPW-UHFFFAOYSA-N 0 0 444.943 6.787 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000223704497 557504144 /nfs/dbraw/zinc/50/41/44/557504144.db2.gz ZYMPMJAUOBQQLA-HSZRJFAPSA-N 0 0 426.626 5.201 40 0 IKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000019642563 557504206 /nfs/dbraw/zinc/50/42/06/557504206.db2.gz ABQSXTVBXWWXCM-UHFFFAOYSA-N 0 0 444.943 7.031 40 0 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557504630 /nfs/dbraw/zinc/50/46/30/557504630.db2.gz AMHVHRDQDFEUGI-UHFFFAOYSA-N 0 0 446.506 5.432 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3)nc2c1 ZINC000019646187 557504952 /nfs/dbraw/zinc/50/49/52/557504952.db2.gz OABLOHFFJNLIEX-HNNXBMFYSA-N 0 0 447.535 6.274 40 0 IKABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 ZINC000019646737 557505110 /nfs/dbraw/zinc/50/51/10/557505110.db2.gz BBRBZAFUSNUGKU-UHFFFAOYSA-N 0 0 447.970 5.789 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000019646381 557505195 /nfs/dbraw/zinc/50/51/95/557505195.db2.gz ZIAWMVFGQJEOJF-UHFFFAOYSA-N 0 0 447.585 5.721 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223716500 557505537 /nfs/dbraw/zinc/50/55/37/557505537.db2.gz JEDCMCPBSAFOKV-FQEVSTJZSA-N 0 0 448.994 5.415 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1cccc2c(O)cccc12 ZINC000019648203 557505567 /nfs/dbraw/zinc/50/55/67/557505567.db2.gz 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5.013 40 0 IKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000223766226 557510377 /nfs/dbraw/zinc/51/03/77/557510377.db2.gz ATDNBBWDAZTBBL-LJQANCHMSA-N 0 0 433.523 5.367 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000223768932 557510746 /nfs/dbraw/zinc/51/07/46/557510746.db2.gz XRAJEQVHBITZKQ-BJKOFHAPSA-N 0 0 432.593 5.574 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 ZINC000223770415 557511006 /nfs/dbraw/zinc/51/10/06/557511006.db2.gz DUEITXJKYKTEMA-RPWUZVMVSA-N 0 0 444.535 5.197 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1 ZINC000223769457 557511011 /nfs/dbraw/zinc/51/10/11/557511011.db2.gz LQSVEVZKZZOACA-LOSJGSFVSA-N 0 0 440.572 5.366 40 0 IKABRN Cc1cc(C)cc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000019947367 557511100 /nfs/dbraw/zinc/51/11/00/557511100.db2.gz PNYDAWOJQRXGPS-UHFFFAOYSA-N 0 0 436.577 5.261 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccccc2)cc1C ZINC000019946858 557511103 /nfs/dbraw/zinc/51/11/03/557511103.db2.gz JPVWSMWWHJIHIL-UHFFFAOYSA-N 0 0 444.556 5.291 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 ZINC000223770785 557511175 /nfs/dbraw/zinc/51/11/75/557511175.db2.gz IKSAEEODPZJUOL-DNQXCXABSA-N 0 0 444.535 5.197 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cc(C)cc(C)c2)cc1 ZINC000019947530 557511447 /nfs/dbraw/zinc/51/14/47/557511447.db2.gz LUDBJTYROLJAIM-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cc(C)cc(C)c2)cc1 ZINC000019947514 557511471 /nfs/dbraw/zinc/51/14/71/557511471.db2.gz IFGNZLHQROALKJ-UHFFFAOYSA-N 0 0 436.577 5.063 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000223774962 557511527 /nfs/dbraw/zinc/51/15/27/557511527.db2.gz RFNKLZXGZNTELG-BJKOFHAPSA-N 0 0 445.519 5.666 40 0 IKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000223775000 557511541 /nfs/dbraw/zinc/51/15/41/557511541.db2.gz RFNKLZXGZNTELG-DNQXCXABSA-N 0 0 445.519 5.666 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223774799 557511565 /nfs/dbraw/zinc/51/15/65/557511565.db2.gz GWQBTMNZDXRNGH-BJKOFHAPSA-N 0 0 427.529 5.527 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 ZINC000223778231 557512062 /nfs/dbraw/zinc/51/20/62/557512062.db2.gz CJSYFYQHKXRBIU-HSZRJFAPSA-N 0 0 445.003 5.223 40 0 IKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223779772 557512239 /nfs/dbraw/zinc/51/22/39/557512239.db2.gz YOTPJFRIBXHCFV-BJKOFHAPSA-N 0 0 432.593 5.574 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223785605 557512931 /nfs/dbraw/zinc/51/29/31/557512931.db2.gz HFGGXMHRRADTEB-HSZRJFAPSA-N 0 0 429.004 5.223 40 0 IKABRN Cc1ccccc1CN(C(=O)CCc1cccc2ccccc21)[C@H](C)C(=O)NC1CCCC1 ZINC000223787938 557513387 /nfs/dbraw/zinc/51/33/87/557513387.db2.gz QKSXLTUAZSGPIC-JOCHJYFZSA-N 0 0 442.603 5.557 40 0 IKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000223789462 557513645 /nfs/dbraw/zinc/51/36/45/557513645.db2.gz ZZEOGIUQPQWBPZ-UHFFFAOYSA-N 0 0 436.895 5.520 40 0 IKABRN Cc1ccccc1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000223790786 557513846 /nfs/dbraw/zinc/51/38/46/557513846.db2.gz HQAGEMKVWOCMBD-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 ZINC000223792303 557514134 /nfs/dbraw/zinc/51/41/34/557514134.db2.gz KLUQJBOUYWBOIY-RPWUZVMVSA-N 0 0 444.560 5.100 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223793775 557514343 /nfs/dbraw/zinc/51/43/43/557514343.db2.gz FRCQHPDTTJWCHY-DNQXCXABSA-N 0 0 434.609 5.657 40 0 IKABRN Cc1cccc(CN(C(=O)CSCc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223793261 557514377 /nfs/dbraw/zinc/51/43/77/557514377.db2.gz ZWLZSYLMCOPNBR-OAQYLSRUSA-N 0 0 438.637 5.013 40 0 IKABRN Cc1ccc(SCCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223794610 557514395 /nfs/dbraw/zinc/51/43/95/557514395.db2.gz QDFOIIHVKYDNTD-NRFANRHFSA-N 0 0 438.637 5.262 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000223796934 557514579 /nfs/dbraw/zinc/51/45/79/557514579.db2.gz OSPXNDVYZVMIQC-QFIPXVFZSA-N 0 0 447.044 5.546 40 0 IKABRN Cc1cccc(CN(C(=O)CCc2cccc3ccccc32)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223806782 557515444 /nfs/dbraw/zinc/51/54/44/557515444.db2.gz NCKZJZLPWMEWCN-QFIPXVFZSA-N 0 0 442.603 5.557 40 0 IKABRN Cc1cccc(CSCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223806902 557515504 /nfs/dbraw/zinc/51/55/04/557515504.db2.gz DYKQIFQAPHVQPL-NRFANRHFSA-N 0 0 438.637 5.013 40 0 IKABRN Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223807332 557515752 /nfs/dbraw/zinc/51/57/52/557515752.db2.gz VUVJNUZCMUGMDH-QGZVFWFLSA-N 0 0 447.406 5.320 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C ZINC000223808898 557516030 /nfs/dbraw/zinc/51/60/30/557516030.db2.gz PDLJNMABLLTKLD-JOCHJYFZSA-N 0 0 445.003 5.059 40 0 IKABRN O=Cc1cc(Br)c(OCc2c(Cl)cccc2Cl)c(Br)c1 ZINC000020156223 557516577 /nfs/dbraw/zinc/51/65/77/557516577.db2.gz NPUAAJZAPVOBKM-UHFFFAOYSA-N 0 0 438.930 5.910 40 0 IKABRN COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@@H]2OC(C)=O)cc1 ZINC000036612188 557516884 /nfs/dbraw/zinc/51/68/84/557516884.db2.gz JPPVXERJZNMYHM-IWTFVHFGSA-N 0 0 446.587 6.185 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 ZINC000223815848 557516924 /nfs/dbraw/zinc/51/69/24/557516924.db2.gz FNFNTTDIRCQROR-QHCPKHFHSA-N 0 0 444.616 5.173 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223815789 557516981 /nfs/dbraw/zinc/51/69/81/557516981.db2.gz CDKIALUPLRDQEV-DEOSSOPVSA-N 0 0 442.575 5.052 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223818394 557517213 /nfs/dbraw/zinc/51/72/13/557517213.db2.gz ZBLSUAUZUYLGPU-NRFANRHFSA-N 0 0 435.395 5.260 40 0 IKABRN Cc1ccc(SCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 ZINC000223828471 557517844 /nfs/dbraw/zinc/51/78/44/557517844.db2.gz DTYMRAHNGYXVFG-JWGURIENSA-N 0 0 436.602 5.044 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223828585 557518170 /nfs/dbraw/zinc/51/81/70/557518170.db2.gz PBZJQBBQXZTLFR-INIZCTEOSA-N 0 0 433.379 5.012 40 0 IKABRN COc1cc([C@H]2O[C@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 ZINC000020228691 557518203 /nfs/dbraw/zinc/51/82/03/557518203.db2.gz OEDFWOKQVJHDQD-FPUALCIBSA-N 0 0 444.527 6.149 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223832037 557518454 /nfs/dbraw/zinc/51/84/54/557518454.db2.gz KZANTELMEHQXDR-DQEYMECFSA-N 0 0 441.556 5.917 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223835048 557518805 /nfs/dbraw/zinc/51/88/05/557518805.db2.gz BTOQBGPEXYQKSX-LJQANCHMSA-N 0 0 429.004 5.340 40 0 IKABRN O=C(CSCc1cccc(Br)c1)NCCSCc1cccc(Cl)c1 ZINC000020238277 557518972 /nfs/dbraw/zinc/51/89/72/557518972.db2.gz STBDHKMJZPSTDK-UHFFFAOYSA-N 0 0 444.847 5.385 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4ccc(Cl)cc4)cc3)sc2c1 ZINC000020238566 557518986 /nfs/dbraw/zinc/51/89/86/557518986.db2.gz RXBNSCLNTIBFOX-OAHLLOKOSA-N 0 0 439.005 7.044 40 0 IKABRN O=C(CSc1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020238411 557518989 /nfs/dbraw/zinc/51/89/89/557518989.db2.gz SYLQNGLPBSJWRL-UHFFFAOYSA-N 0 0 437.008 5.366 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223838024 557519068 /nfs/dbraw/zinc/51/90/68/557519068.db2.gz MYCNASSPLMVNMN-RPWUZVMVSA-N 0 0 432.593 5.574 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223838393 557519126 /nfs/dbraw/zinc/51/91/26/557519126.db2.gz TXPZWHJDHDZSKB-JWQCQUIFSA-N 0 0 446.620 5.964 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 ZINC000223841387 557519656 /nfs/dbraw/zinc/51/96/56/557519656.db2.gz JSNNFHGITLYIAX-GOSISDBHSA-N 0 0 439.602 5.182 40 0 IKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000020369084 557519716 /nfs/dbraw/zinc/51/97/16/557519716.db2.gz SAUMKEHNZUOYGM-UHFFFAOYSA-N 0 0 446.161 5.791 40 0 IKABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020411201 557520025 /nfs/dbraw/zinc/52/00/25/557520025.db2.gz WUDIDIDATSEZKZ-UHFFFAOYSA-N 0 0 444.531 6.668 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1 ZINC000020411186 557520051 /nfs/dbraw/zinc/52/00/51/557520051.db2.gz AZQYKRCDLPRBDR-UHFFFAOYSA-N 0 0 425.315 7.177 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000020411190 557520084 /nfs/dbraw/zinc/52/00/84/557520084.db2.gz IKWCXFJDDWHFRG-UHFFFAOYSA-N 0 0 425.315 7.177 40 0 IKABRN CCCCOC(=O)c1ccc2nc(NC(=O)COc3c(C)cc(C)cc3Cl)sc2c1 ZINC000020411550 557520266 /nfs/dbraw/zinc/52/02/66/557520266.db2.gz JTEPWSSAWRMOHO-UHFFFAOYSA-N 0 0 446.956 5.541 40 0 IKABRN CCCCOC(=O)c1ccc2nc(NC(=O)COc3cc(C)c(Cl)c(C)c3)sc2c1 ZINC000020411537 557520310 /nfs/dbraw/zinc/52/03/10/557520310.db2.gz FKYVJWJYNQZZMQ-UHFFFAOYSA-N 0 0 446.956 5.541 40 0 IKABRN Cc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020411336 557520319 /nfs/dbraw/zinc/52/03/19/557520319.db2.gz QOBITVQEZISVEG-UHFFFAOYSA-N 0 0 429.545 6.053 40 0 IKABRN CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccc(C(C)C)cc3)sc2c1 ZINC000020411521 557520344 /nfs/dbraw/zinc/52/03/44/557520344.db2.gz YPGHDVZKLGZZDU-UHFFFAOYSA-N 0 0 426.538 5.394 40 0 IKABRN Cc1cc(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc(C)c1Cl ZINC000020411842 557520473 /nfs/dbraw/zinc/52/04/73/557520473.db2.gz CZTWDOYEZOQQTC-UHFFFAOYSA-N 0 0 432.929 5.149 40 0 IKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2c1 ZINC000020411844 557520490 /nfs/dbraw/zinc/52/04/90/557520490.db2.gz HINWXPBDIZDHQD-UHFFFAOYSA-N 0 0 439.320 5.186 40 0 IKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4Cl)o3)sc2c1 ZINC000020411827 557520498 /nfs/dbraw/zinc/52/04/98/557520498.db2.gz HEPVGVMZDYIWTF-UHFFFAOYSA-N 0 0 440.908 6.027 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223848536 557520575 /nfs/dbraw/zinc/52/05/75/557520575.db2.gz SILCAQFWSFVNHM-JTSKRJEESA-N 0 0 449.422 5.648 40 0 IKABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000195528915 557521165 /nfs/dbraw/zinc/52/11/65/557521165.db2.gz FDBXCQIAUYDMBI-VNQQAFLFSA-N 0 0 430.481 5.487 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCC1 ZINC000223854047 557521172 /nfs/dbraw/zinc/52/11/72/557521172.db2.gz RYVVUFMWKCENFY-BJKOFHAPSA-N 0 0 432.593 5.498 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCC1 ZINC000223853987 557521225 /nfs/dbraw/zinc/52/12/25/557521225.db2.gz RYVVUFMWKCENFY-RPWUZVMVSA-N 0 0 432.593 5.498 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCCC1 ZINC000223854181 557521244 /nfs/dbraw/zinc/52/12/44/557521244.db2.gz MEQJGGIGYYZUGV-JWQCQUIFSA-N 0 0 446.620 5.888 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223854645 557521401 /nfs/dbraw/zinc/52/14/01/557521401.db2.gz SZMHPDOFMRDYGC-JOCHJYFZSA-N 0 0 449.422 5.568 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000223858380 557521621 /nfs/dbraw/zinc/52/16/21/557521621.db2.gz KAAMVHWCYGJLHV-QFIPXVFZSA-N 0 0 449.422 5.650 40 0 IKABRN CC(C)(C)c1ccc(OCc2nn(CN3CCCCC3)c(=S)n2-c2ccccc2)cc1 ZINC000002684324 557521895 /nfs/dbraw/zinc/52/18/95/557521895.db2.gz BCHRKRGMABDYTO-UHFFFAOYSA-N 0 0 436.625 5.723 40 0 IKABRN Cc1cccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)c1 ZINC000019635577 557522442 /nfs/dbraw/zinc/52/24/42/557522442.db2.gz GGLOEQIOCDESRI-UHFFFAOYSA-N 0 0 442.412 6.718 40 0 IKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223866928 557522586 /nfs/dbraw/zinc/52/25/86/557522586.db2.gz JFRWJHQLHHJACE-BJKOFHAPSA-N 0 0 426.545 5.063 40 0 IKABRN Cc1ccc(SCCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223869229 557523079 /nfs/dbraw/zinc/52/30/79/557523079.db2.gz WOBGAXDRQSXFMT-IBGZPJMESA-N 0 0 442.600 5.092 40 0 IKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)cc1 ZINC000223871762 557523518 /nfs/dbraw/zinc/52/35/18/557523518.db2.gz WUMNYRGWEBEGFM-DHIUTWEWSA-N 0 0 445.569 5.709 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl ZINC000223871819 557523552 /nfs/dbraw/zinc/52/35/52/557523552.db2.gz DTAYLXGCGCCXSP-CQSZACIVSA-N 0 0 441.786 5.133 40 0 IKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000223872573 557523719 /nfs/dbraw/zinc/52/37/19/557523719.db2.gz CEWYZRWJSNFESR-PKTZIBPZSA-N 0 0 447.947 5.878 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223877366 557524473 /nfs/dbraw/zinc/52/44/73/557524473.db2.gz DDRGUMNMKNMGGV-OAQYLSRUSA-N 0 0 446.566 5.291 40 0 IKABRN C[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223897518 557526524 /nfs/dbraw/zinc/52/65/24/557526524.db2.gz KTEHDDXWHGTORP-AWEZNQCLSA-N 0 0 442.924 5.033 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223898673 557526530 /nfs/dbraw/zinc/52/65/30/557526530.db2.gz CAVHVAXNWGDDBK-FQEVSTJZSA-N 0 0 446.566 5.388 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223900599 557526804 /nfs/dbraw/zinc/52/68/04/557526804.db2.gz BEHKGRBDWUDWIM-NRFANRHFSA-N 0 0 435.395 5.260 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223903022 557526926 /nfs/dbraw/zinc/52/69/26/557526926.db2.gz BJCGCNRZYHJYGK-KKSFZXQISA-N 0 0 435.395 5.258 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223903417 557526943 /nfs/dbraw/zinc/52/69/43/557526943.db2.gz ZKFQDAVHELNBNY-VGOFRKELSA-N 0 0 449.422 5.648 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223903075 557526959 /nfs/dbraw/zinc/52/69/59/557526959.db2.gz BJCGCNRZYHJYGK-HRAATJIYSA-N 0 0 435.395 5.258 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000223904409 557527181 /nfs/dbraw/zinc/52/71/81/557527181.db2.gz BKIWSKYHHCYGAJ-LOSJGSFVSA-N 0 0 445.636 5.631 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000223904548 557527185 /nfs/dbraw/zinc/52/71/85/557527185.db2.gz RGEONJKIYUGPHT-DQEYMECFSA-N 0 0 439.588 5.115 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223910556 557527624 /nfs/dbraw/zinc/52/76/24/557527624.db2.gz NDUAWNBYTCVVLG-JWQCQUIFSA-N 0 0 440.572 5.585 40 0 IKABRN COc1ccccc1Oc1ccc(NC(=S)NCc2ccc(-c3ccccc3)o2)cn1 ZINC000223912262 557527888 /nfs/dbraw/zinc/52/78/88/557527888.db2.gz LRHBMZAKEPGFTN-UHFFFAOYSA-N 0 0 431.517 5.629 40 0 IKABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2Cc3ccccc3C2)nc1 ZINC000223911800 557527896 /nfs/dbraw/zinc/52/78/96/557527896.db2.gz VXLDPBUHTLJPIV-UHFFFAOYSA-N 0 0 426.545 5.348 40 0 IKABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCCC2)nc1 ZINC000223915887 557528302 /nfs/dbraw/zinc/52/83/02/557528302.db2.gz XZWBPSVMNGRPJB-UHFFFAOYSA-N 0 0 426.973 5.472 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223915706 557528366 /nfs/dbraw/zinc/52/83/66/557528366.db2.gz XJEOJCKKUOOREW-BJKOFHAPSA-N 0 0 431.609 5.241 40 0 IKABRN Cc1ccccc1Nc1ccc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 ZINC000223917471 557528487 /nfs/dbraw/zinc/52/84/87/557528487.db2.gz ZHWPAKZDMDKNJY-UHFFFAOYSA-N 0 0 448.979 6.534 40 0 IKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223916252 557528523 /nfs/dbraw/zinc/52/85/23/557528523.db2.gz SINQWJCVEGWKEJ-UHFFFAOYSA-N 0 0 444.512 5.532 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 ZINC000223923139 557529450 /nfs/dbraw/zinc/52/94/50/557529450.db2.gz OXYCLGMRYBHHHB-OAHLLOKOSA-N 0 0 439.408 5.029 40 0 IKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 ZINC000003865109 557529927 /nfs/dbraw/zinc/52/99/27/557529927.db2.gz SMNNPRYAEDCRGM-XXXAISIISA-N 0 0 447.531 5.964 40 0 IKABRN Cc1c(Br)cnc(NC(=S)NCc2ccc(Cl)cc2)c1Br ZINC000223929139 557530000 /nfs/dbraw/zinc/53/00/00/557530000.db2.gz IFTQMWREJWNVQT-UHFFFAOYSA-N 0 0 449.599 5.055 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000223940202 557531704 /nfs/dbraw/zinc/53/17/04/557531704.db2.gz DLMRXZZATISWKX-UHFFFAOYSA-N 0 0 442.540 5.715 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000223940056 557531719 /nfs/dbraw/zinc/53/17/19/557531719.db2.gz SGLRWVUKLWUQDW-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000223943288 557532251 /nfs/dbraw/zinc/53/22/51/557532251.db2.gz QOVCXMCTHPBSHR-KRWDZBQOSA-N 0 0 447.406 5.402 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)c1C ZINC000223945477 557532553 /nfs/dbraw/zinc/53/25/53/557532553.db2.gz JFUQDGWRSJBCOK-UHFFFAOYSA-N 0 0 430.614 5.357 40 0 IKABRN CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000223947915 557532662 /nfs/dbraw/zinc/53/26/62/557532662.db2.gz QYYGVKJHRXBCLZ-FQEVSTJZSA-N 0 0 430.614 5.359 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)c(C)c1 ZINC000223952519 557533448 /nfs/dbraw/zinc/53/34/48/557533448.db2.gz GGHJCLZBWKCTCT-XMMPIXPASA-N 0 0 436.577 5.294 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)cc1C ZINC000223952657 557533535 /nfs/dbraw/zinc/53/35/35/557533535.db2.gz IVOQYDADEVOUJG-XMMPIXPASA-N 0 0 436.577 5.294 40 0 IKABRN CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223960463 557534776 /nfs/dbraw/zinc/53/47/76/557534776.db2.gz NOFKITJUDFEZCI-IIBYNOLFSA-N 0 0 435.395 5.258 40 0 IKABRN CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223960349 557534829 /nfs/dbraw/zinc/53/48/29/557534829.db2.gz NOFKITJUDFEZCI-HRAATJIYSA-N 0 0 435.395 5.258 40 0 IKABRN CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223960588 557534857 /nfs/dbraw/zinc/53/48/57/557534857.db2.gz GLIHESMPKKBUMH-HTAPYJJXSA-N 0 0 449.422 5.648 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(NC(C)(C)C)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000004371546 557535642 /nfs/dbraw/zinc/53/56/42/557535642.db2.gz BMFRSUUPDIARMS-YMTBTCCCSA-N 0 0 429.626 7.437 40 0 IKABRN O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214877347 557535707 /nfs/dbraw/zinc/53/57/07/557535707.db2.gz VDLLAGLZOKSANS-OVCLIPMQSA-N 0 0 443.149 5.992 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(NC(C)(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000004371551 557535719 /nfs/dbraw/zinc/53/57/19/557535719.db2.gz BMFRSUUPDIARMS-MYKNIMNWSA-N 0 0 429.626 7.437 40 0 IKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000223969050 557536035 /nfs/dbraw/zinc/53/60/35/557536035.db2.gz CJRWIXROZDVVFO-RPWUZVMVSA-N 0 0 445.592 5.134 40 0 IKABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000223969185 557536448 /nfs/dbraw/zinc/53/64/48/557536448.db2.gz CJRWIXROZDVVFO-DNQXCXABSA-N 0 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5.174 40 0 IKABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000224882677 557662121 /nfs/dbraw/zinc/66/21/21/557662121.db2.gz STLFOQHPASTRLD-PMACEKPBSA-N 0 0 442.559 5.462 40 0 IKABRN Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000224885232 557662299 /nfs/dbraw/zinc/66/22/99/557662299.db2.gz BNKUPIATYIOAQD-PKTZIBPZSA-N 0 0 446.963 5.408 40 0 IKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000224884662 557662382 /nfs/dbraw/zinc/66/23/82/557662382.db2.gz AKRXNXKMEHKTMG-UHFFFAOYSA-N 0 0 447.284 5.743 40 0 IKABRN O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(C(F)(F)F)cc1 ZINC000224886598 557662805 /nfs/dbraw/zinc/66/28/05/557662805.db2.gz BMFDTDZYKYQIMC-UHFFFAOYSA-N 0 0 439.231 5.694 40 0 IKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)ccc1F ZINC000224889347 557663171 /nfs/dbraw/zinc/66/31/71/557663171.db2.gz ALQDPUBNKRYHTN-ZWKOTPCHSA-N 0 0 448.386 5.530 40 0 IKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000224891787 557663510 /nfs/dbraw/zinc/66/35/10/557663510.db2.gz XYGOLODUAROOPB-UHFFFAOYSA-N 0 0 430.118 6.527 40 0 IKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(OCc2ccccc2)cc1 ZINC000224891861 557663688 /nfs/dbraw/zinc/66/36/88/557663688.db2.gz BEADPEODVULITI-UHFFFAOYSA-N 0 0 432.907 6.145 40 0 IKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000224892293 557663719 /nfs/dbraw/zinc/66/37/19/557663719.db2.gz XLQVPYJUKKPLPC-UHFFFAOYSA-N 0 0 429.225 6.239 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224894405 557663860 /nfs/dbraw/zinc/66/38/60/557663860.db2.gz HMEMWJWJLQEDHT-UHFFFAOYSA-N 0 0 442.824 6.933 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 ZINC000224895859 557664138 /nfs/dbraw/zinc/66/41/38/557664138.db2.gz CIHOPQGWEGSHAV-UHFFFAOYSA-N 0 0 440.499 6.218 40 0 IKABRN COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc4c(c3)OCCO4)o2)c1 ZINC000224901507 557664668 /nfs/dbraw/zinc/66/46/68/557664668.db2.gz UDNJXJPHHFFIQF-UHFFFAOYSA-N 0 0 428.444 5.041 40 0 IKABRN COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3OC)o2)c1 ZINC000224901616 557664721 /nfs/dbraw/zinc/66/47/21/557664721.db2.gz JNPLKQOYHUHGMF-UHFFFAOYSA-N 0 0 434.879 5.932 40 0 IKABRN COC(=O)c1ccccc1NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 ZINC000224901789 557664734 /nfs/dbraw/zinc/66/47/34/557664734.db2.gz NISJUJWGGHJFNV-UHFFFAOYSA-N 0 0 428.444 5.056 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000224903217 557664826 /nfs/dbraw/zinc/66/48/26/557664826.db2.gz ZLDNWVGGTWAQCY-QGZVFWFLSA-N 0 0 435.395 5.096 40 0 IKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000224903244 557664891 /nfs/dbraw/zinc/66/48/91/557664891.db2.gz ZLDNWVGGTWAQCY-KRWDZBQOSA-N 0 0 435.395 5.096 40 0 IKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)ccc1F ZINC000224905383 557665079 /nfs/dbraw/zinc/66/50/79/557665079.db2.gz MWWXBSOMWCNZEA-ZEQRLZLVSA-N 0 0 434.584 6.013 40 0 IKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)ccc1F ZINC000224905719 557665200 /nfs/dbraw/zinc/66/52/00/557665200.db2.gz VSDIARPTOXWWRV-DQEYMECFSA-N 0 0 442.563 5.805 40 0 IKABRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)ccc1F ZINC000224905845 557665206 /nfs/dbraw/zinc/66/52/06/557665206.db2.gz VSDIARPTOXWWRV-JWQCQUIFSA-N 0 0 442.563 5.805 40 0 IKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)ccc1F ZINC000224906476 557665413 /nfs/dbraw/zinc/66/54/13/557665413.db2.gz DEPNPCIAJSWEMK-BJKOFHAPSA-N 0 0 446.526 5.636 40 0 IKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Br)cc3)o2)cc1 ZINC000224908555 557665512 /nfs/dbraw/zinc/66/55/12/557665512.db2.gz BKKMMFUGCMLUIK-UHFFFAOYSA-N 0 0 449.304 6.032 40 0 IKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 ZINC000224909505 557665768 /nfs/dbraw/zinc/66/57/68/557665768.db2.gz OLOWZNABYDFPOL-UHFFFAOYSA-N 0 0 438.405 6.288 40 0 IKABRN COC(=O)c1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 ZINC000224911114 557666147 /nfs/dbraw/zinc/66/61/47/557666147.db2.gz OLIOCVSHEDGABP-UHFFFAOYSA-N 0 0 428.444 5.056 40 0 IKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000224911849 557666208 /nfs/dbraw/zinc/66/62/08/557666208.db2.gz LCAXYFTXSVOFAB-CQSZACIVSA-N 0 0 441.786 5.133 40 0 IKABRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)ccc1F ZINC000224914710 557666650 /nfs/dbraw/zinc/66/66/50/557666650.db2.gz DSRXGEKQICJWDM-DNQXCXABSA-N 0 0 434.584 6.013 40 0 IKABRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc4ccccc43)o2)cc1 ZINC000224917531 557666726 /nfs/dbraw/zinc/66/67/26/557666726.db2.gz IHBBQESEHVOXCU-UHFFFAOYSA-N 0 0 434.495 6.813 40 0 IKABRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(C)cccc3CC)o2)cc1 ZINC000224917179 557666823 /nfs/dbraw/zinc/66/68/23/557666823.db2.gz DLOFQQMSPGLRRT-UHFFFAOYSA-N 0 0 426.516 6.530 40 0 IKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)ccc1Br ZINC000224918059 557666980 /nfs/dbraw/zinc/66/69/80/557666980.db2.gz QWENBBRNYQWTHC-ZWKOTPCHSA-N 0 0 430.396 5.391 40 0 IKABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)s1 ZINC000224918458 557666984 /nfs/dbraw/zinc/66/69/84/557666984.db2.gz OMTXAPCWESOWEA-OALUTQOASA-N 0 0 444.423 5.700 40 0 IKABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 ZINC000224917865 557667009 /nfs/dbraw/zinc/66/70/09/557667009.db2.gz YDLZSECYZIMSEC-RBUKOAKNSA-N 0 0 428.355 5.231 40 0 IKABRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 ZINC000224918393 557667010 /nfs/dbraw/zinc/66/70/10/557667010.db2.gz MMUKNVBCWVIUES-UHFFFAOYSA-N 0 0 432.907 6.621 40 0 IKABRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3OC)o2)cc1 ZINC000224920111 557667102 /nfs/dbraw/zinc/66/71/02/557667102.db2.gz SHZBLFPNSDPBKR-UHFFFAOYSA-N 0 0 448.906 6.322 40 0 IKABRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(OC)c(OC)c3)o2)cc1 ZINC000224919876 557667113 /nfs/dbraw/zinc/66/71/13/557667113.db2.gz RNGBYHOUNTVLQG-UHFFFAOYSA-N 0 0 444.487 5.677 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)[nH]1 ZINC000224920000 557667147 /nfs/dbraw/zinc/66/71/47/557667147.db2.gz CWSKAVFULBSMDC-UXHICEINSA-N 0 0 441.398 5.275 40 0 IKABRN O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000224926557 557667801 /nfs/dbraw/zinc/66/78/01/557667801.db2.gz UHLYMSYYVRSOJW-UHFFFAOYSA-N 0 0 432.395 5.444 40 0 IKABRN O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224926674 557667824 /nfs/dbraw/zinc/66/78/24/557667824.db2.gz IUPHBSGFRYWDSA-UHFFFAOYSA-N 0 0 432.395 5.444 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000224926241 557667883 /nfs/dbraw/zinc/66/78/83/557667883.db2.gz LDRKYSVVXLZKOG-UHFFFAOYSA-N 0 0 427.262 6.707 40 0 IKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C)c3C)o2)c(OC)c1 ZINC000224931141 557668209 /nfs/dbraw/zinc/66/82/09/557668209.db2.gz MAWPQHBMHMHOQJ-UHFFFAOYSA-N 0 0 428.488 5.895 40 0 IKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(C)ccc3C)o2)c(OC)c1 ZINC000224931254 557668272 /nfs/dbraw/zinc/66/82/72/557668272.db2.gz CCUIJYHJIYXSEC-UHFFFAOYSA-N 0 0 428.488 5.895 40 0 IKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(C)cc(C)c3)o2)c(OC)c1 ZINC000224931486 557668386 /nfs/dbraw/zinc/66/83/86/557668386.db2.gz PTCARPRCVJBBPX-UHFFFAOYSA-N 0 0 428.488 5.895 40 0 IKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Cl)c3)o2)c(OC)c1 ZINC000224932425 557668419 /nfs/dbraw/zinc/66/84/19/557668419.db2.gz AZPXQBUCAAMWCU-UHFFFAOYSA-N 0 0 434.879 5.932 40 0 IKABRN COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)cc1 ZINC000224933970 557668618 /nfs/dbraw/zinc/66/86/18/557668618.db2.gz TWYBBNBNPMYDIB-UHFFFAOYSA-N 0 0 430.460 5.287 40 0 IKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc4c(c3)OCO4)o2)c(OC)c1 ZINC000224934428 557668824 /nfs/dbraw/zinc/66/88/24/557668824.db2.gz HUWJVHDLBIUSDU-UHFFFAOYSA-N 0 0 444.443 5.007 40 0 IKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C(C)=O)c3)o2)c(OC)c1 ZINC000224935041 557668841 /nfs/dbraw/zinc/66/88/41/557668841.db2.gz AESWQPZFQKXYHX-UHFFFAOYSA-N 0 0 442.471 5.481 40 0 IKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3SC)o2)c(OC)c1 ZINC000224937458 557669002 /nfs/dbraw/zinc/66/90/02/557669002.db2.gz MPJXGVJRWFDBRA-UHFFFAOYSA-N 0 0 446.528 6.000 40 0 IKABRN CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224937386 557669013 /nfs/dbraw/zinc/66/90/13/557669013.db2.gz GJXPETZVIUMGDU-UHFFFAOYSA-N 0 0 436.360 5.788 40 0 IKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(F)cc3)o2)c(OC)c1 ZINC000224938896 557669084 /nfs/dbraw/zinc/66/90/84/557669084.db2.gz QUZWYQAAENDVQY-UHFFFAOYSA-N 0 0 432.451 5.095 40 0 IKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000224936984 557669113 /nfs/dbraw/zinc/66/91/13/557669113.db2.gz KACJOZLHPWVXQA-HNNXBMFYSA-N 0 0 425.579 5.115 40 0 IKABRN CCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC000224941477 557669533 /nfs/dbraw/zinc/66/95/33/557669533.db2.gz PKYNJQDWVJRGTJ-UHFFFAOYSA-N 0 0 447.332 6.586 40 0 IKABRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000224943399 557669672 /nfs/dbraw/zinc/66/96/72/557669672.db2.gz BMBXKMIIKGRTKS-DEOSSOPVSA-N 0 0 440.653 5.099 40 0 IKABRN Cc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000224949242 557670243 /nfs/dbraw/zinc/67/02/43/557670243.db2.gz NNHXUKAHPMHHIJ-UHFFFAOYSA-N 0 0 447.332 6.010 40 0 IKABRN O=C(NCc1ccccc1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224949181 557670255 /nfs/dbraw/zinc/67/02/55/557670255.db2.gz XYGRYGKOQKYXAZ-UHFFFAOYSA-N 0 0 433.305 5.701 40 0 IKABRN Cc1ccc(C)c(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)c1 ZINC000224950351 557670397 /nfs/dbraw/zinc/67/03/97/557670397.db2.gz DJJVIJSNVZUBHX-UHFFFAOYSA-N 0 0 447.332 6.640 40 0 IKABRN O=C(Nc1ccccc1F)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224950892 557670443 /nfs/dbraw/zinc/67/04/43/557670443.db2.gz VEEAEYHMTXKPKW-UHFFFAOYSA-N 0 0 437.268 6.163 40 0 IKABRN Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)c(C)c1 ZINC000224950297 557670488 /nfs/dbraw/zinc/67/04/88/557670488.db2.gz VIOLAHKXNLOKSO-UHFFFAOYSA-N 0 0 447.332 6.640 40 0 IKABRN COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000224952691 557670658 /nfs/dbraw/zinc/67/06/58/557670658.db2.gz QYQLGSVISIFFOL-UHFFFAOYSA-N 0 0 449.304 6.032 40 0 IKABRN CN(Cc1ccccc1)C(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224954023 557670754 /nfs/dbraw/zinc/67/07/54/557670754.db2.gz ATEAVMSPUMLTBK-UHFFFAOYSA-N 0 0 447.332 6.043 40 0 IKABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C ZINC000224955485 557670979 /nfs/dbraw/zinc/67/09/79/557670979.db2.gz BMWKUBVQKBHMBR-FGZHOGPDSA-N 0 0 441.000 5.359 40 0 IKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000224957595 557671238 /nfs/dbraw/zinc/67/12/38/557671238.db2.gz UJGDUYOPZPWKEZ-UHFFFAOYSA-N 0 0 449.576 5.038 40 0 IKABRN O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224960741 557671351 /nfs/dbraw/zinc/67/13/51/557671351.db2.gz ARDJNPFRQBFAJJ-UHFFFAOYSA-N 0 0 443.717 7.221 40 0 IKABRN COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000224962028 557671632 /nfs/dbraw/zinc/67/16/32/557671632.db2.gz KLDJGKKFTBPNGV-UHFFFAOYSA-N 0 0 434.879 5.932 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224960850 557671648 /nfs/dbraw/zinc/67/16/48/557671648.db2.gz KFZLUUGVESQNQW-UHFFFAOYSA-N 0 0 443.717 7.221 40 0 IKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc(I)c1 ZINC000224961291 557671666 /nfs/dbraw/zinc/67/16/66/557671666.db2.gz IOOHRPHIUZNCMW-UHFFFAOYSA-N 0 0 445.325 5.836 40 0 IKABRN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000224962849 557671724 /nfs/dbraw/zinc/67/17/24/557671724.db2.gz MOQCPKPNOUHQJN-UHFFFAOYSA-N 0 0 431.879 5.873 40 0 IKABRN COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1Cl ZINC000224962317 557671788 /nfs/dbraw/zinc/67/17/88/557671788.db2.gz SAPUONLHNVYRQZ-UHFFFAOYSA-N 0 0 439.298 6.576 40 0 IKABRN C[C@@H](CNC(=O)c1cccc(I)c1)Cc1cccc2ccccc21 ZINC000224966923 557672336 /nfs/dbraw/zinc/67/23/36/557672336.db2.gz QIQXLCPKXFOAEQ-OAHLLOKOSA-N 0 0 429.301 5.053 40 0 IKABRN C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 ZINC000224966473 557672367 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LPKMEEADNBIYIS-BMRADRMJSA-N 0 0 433.463 6.372 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(I)cc1Cl ZINC000059477516 557824938 /nfs/dbraw/zinc/82/49/38/557824938.db2.gz NNOHCHDTQQUFJT-DHZHZOJOSA-N 0 0 449.675 5.857 40 0 IKABRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000059483211 557825075 /nfs/dbraw/zinc/82/50/75/557825075.db2.gz BGKWPUZWFWVCRT-HHHXNRCGSA-N 0 0 442.603 7.324 40 0 IKABRN c1ccc(-c2[nH]c3ccccc3c2C2N(c3ccccc3)CCCN2c2ccccc2)cc1 ZINC000059488026 557825449 /nfs/dbraw/zinc/82/54/49/557825449.db2.gz WPKNKZSZGSSZKJ-UHFFFAOYSA-N 0 0 429.567 7.250 40 0 IKABRN COc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N=C(c3ccccc3)S2)cc1 ZINC000059488719 557825796 /nfs/dbraw/zinc/82/57/96/557825796.db2.gz HAOCVUPWBGQENG-FQEVSTJZSA-N 0 0 437.362 6.097 40 0 IKABRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000059498061 557826346 /nfs/dbraw/zinc/82/63/46/557826346.db2.gz BCSAKRZDAVUEEM-HHHXNRCGSA-N 0 0 428.576 7.150 40 0 IKABRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000059498063 557826351 /nfs/dbraw/zinc/82/63/51/557826351.db2.gz BCSAKRZDAVUEEM-MHZLTWQESA-N 0 0 428.576 7.150 40 0 IKABRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000059500416 557826471 /nfs/dbraw/zinc/82/64/71/557826471.db2.gz GNTDGAJRAGDPMV-VUUXHMSQSA-N 0 0 448.349 5.954 40 0 IKABRN O=C(c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1)N1CCCC1 ZINC000059843054 557827671 /nfs/dbraw/zinc/82/76/71/557827671.db2.gz PVHWRSZHXVLGND-UHFFFAOYSA-N 0 0 440.124 5.800 40 0 IKABRN O=C(c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1)N1CCCC1 ZINC000059843011 557827685 /nfs/dbraw/zinc/82/76/85/557827685.db2.gz ZDEMPCRXBMHJGE-UHFFFAOYSA-N 0 0 440.124 5.800 40 0 IKABRN CCN(CC)C(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000059843049 557827702 /nfs/dbraw/zinc/82/77/02/557827702.db2.gz SLDVSEXXNVYBTP-UHFFFAOYSA-N 0 0 442.140 6.046 40 0 IKABRN COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000059959040 557827896 /nfs/dbraw/zinc/82/78/96/557827896.db2.gz KWKKLQHKJVGPOH-NDENLUEZSA-N 0 0 437.854 5.411 40 0 IKABRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000231425709 557836106 /nfs/dbraw/zinc/83/61/06/557836106.db2.gz WGFJHBZAJBVLTD-UHFFFAOYSA-N 0 0 440.348 5.615 40 0 IKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000123294063 557837166 /nfs/dbraw/zinc/83/71/66/557837166.db2.gz YWMXOBLUILSCFX-GQLJJMEESA-N 0 0 446.628 5.345 40 0 IKABRN CC(=O)O[C@@H]1C=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000123237924 557837209 /nfs/dbraw/zinc/83/72/09/557837209.db2.gz XKOUVMYXXFCCBC-GQRDYSQKSA-N 0 0 428.701 7.815 40 0 IKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000123322001 557837481 /nfs/dbraw/zinc/83/74/81/557837481.db2.gz FVYCOKNQUSFTBH-AFZDBXOZSA-N 0 0 448.644 5.137 40 0 IKABRN O[C@@H](Cn1c2ccccc2nc1C(F)(F)F)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000028297137 557840667 /nfs/dbraw/zinc/84/06/67/557840667.db2.gz NPYBJKAIWJSSGQ-CQSZACIVSA-N 0 0 447.888 5.603 40 0 IKABRN CC(=O)N[C@H]1C[C@H]2[C@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC[C@@H]12 ZINC000253505686 560038302 /nfs/dbraw/zinc/03/83/02/560038302.db2.gz ZVBBVQAJSUFYKD-JKBVASRTSA-N 0 0 429.733 7.612 40 0 biogenic,in-vitro IKABRN C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@]2(C)Cc3sc(-c4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000003840623 560190137 /nfs/dbraw/zinc/19/01/37/560190137.db2.gz JFAIKPVNVLPUTI-RSLISJKCSA-N 0 0 438.637 5.122 40 0 biogenic,in-vitro IKABRN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3CC(=O)[C@@]2(O)C1 ZINC000004104758 560196951 /nfs/dbraw/zinc/19/69/51/560196951.db2.gz MCXULCLKYCWUMP-NQHPMUQMSA-N 0 0 432.689 6.417 40 0 biogenic,in-vitro IKABRN O=C(C1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(/C=C/c3ccc(Cl)cc3)c12 ZINC000005441156 560202150 /nfs/dbraw/zinc/20/21/50/560202150.db2.gz QMNISLAOZDLMIL-ZORGVRQLSA-N 0 0 436.983 5.198 40 0 biogenic,in-vitro IKABRN Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)C1 ZINC000008624039 560210076 /nfs/dbraw/zinc/21/00/76/560210076.db2.gz OBHWJQWTIIRDSC-YLJYHZDGSA-N 0 0 446.517 5.552 40 0 biogenic,in-vitro IKABRN CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)Nc4cccc(F)c4)C2)C3)cc1 ZINC000015672324 560230451 /nfs/dbraw/zinc/23/04/51/560230451.db2.gz XMQIEASEZFTFLL-FUHWJXTLSA-N 0 0 449.551 5.028 40 0 biogenic,in-vitro IKABRN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3o2)cc1 ZINC000008860091 562965249 /nfs/dbraw/zinc/96/52/49/562965249.db2.gz WKLKIUIJGJSSCD-IBGZPJMESA-N 0 0 449.557 5.368 40 0 IKABRN C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)CO ZINC000028876559 563067613 /nfs/dbraw/zinc/06/76/13/563067613.db2.gz AOXXVRDKZLRGTJ-AZIDVCJLSA-N 0 0 440.712 7.228 40 0 biogenic IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2ccccc2F)c1C ZINC000026770893 568738754 /nfs/dbraw/zinc/73/87/54/568738754.db2.gz OTLJSXJXZACBRV-XMMPIXPASA-N 0 0 430.548 6.958 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2Cl)c2ccccc2)c1C ZINC000026770806 568738763 /nfs/dbraw/zinc/73/87/63/568738763.db2.gz TZZCWGGTTDNXFJ-XMMPIXPASA-N 0 0 447.003 7.472 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2cccc(Cl)c2)c1C ZINC000026770902 568738769 /nfs/dbraw/zinc/73/87/69/568738769.db2.gz UUGPYEIUDUAKPM-DEOSSOPVSA-N 0 0 447.003 7.472 40 0 IKABRN COc1ccc(N[C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000026770766 568738772 /nfs/dbraw/zinc/73/87/72/568738772.db2.gz RUHHGNGKCGHWLP-RUZDIDTESA-N 0 0 442.584 6.827 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(Cl)c2)c2ccccc2)c1C ZINC000026770784 568738782 /nfs/dbraw/zinc/73/87/82/568738782.db2.gz ILLISAUVLKWISO-XMMPIXPASA-N 0 0 447.003 7.472 40 0 IKABRN COc1cccc([C@H](Nc2ccccc2)c2c(C)c(C)sc2NC(=O)c2ccccc2)c1 ZINC000026770913 568738785 /nfs/dbraw/zinc/73/87/85/568738785.db2.gz NPKSETQPHDCGMP-VWLOTQADSA-N 0 0 442.584 6.827 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2ccccc2Cl)c1C ZINC000026770900 568738789 /nfs/dbraw/zinc/73/87/89/568738789.db2.gz QQYWRKNLWDONPM-XMMPIXPASA-N 0 0 447.003 7.472 40 0 IKABRN COc1cccc([C@@H](Nc2ccccc2)c2c(C)c(C)sc2NC(=O)c2ccccc2)c1 ZINC000026770911 568738798 /nfs/dbraw/zinc/73/87/98/568738798.db2.gz NPKSETQPHDCGMP-RUZDIDTESA-N 0 0 442.584 6.827 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2C)c2ccccc2)c1C ZINC000026770814 568738820 /nfs/dbraw/zinc/73/88/20/568738820.db2.gz GOBQIOHKAYANQG-RUZDIDTESA-N 0 0 426.585 7.127 40 0 IKABRN COc1cccc(N[C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000026770795 568738840 /nfs/dbraw/zinc/73/88/40/568738840.db2.gz OUXACDDJWBDHJA-RUZDIDTESA-N 0 0 442.584 6.827 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccc(C)c(C)c2)c2ccccc2)c1C ZINC000026770831 568738871 /nfs/dbraw/zinc/73/88/71/568738871.db2.gz SBBDVKHHXOYRGZ-AREMUKBSSA-N 0 0 440.612 7.436 40 0 IKABRN COc1ccc(N[C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccncc2)cc1 ZINC000026770934 568738937 /nfs/dbraw/zinc/73/89/37/568738937.db2.gz NBRUDUVEDBEQGO-DEOSSOPVSA-N 0 0 443.572 6.222 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccc(F)cc2)c2cccs2)c1C ZINC000026770946 568739044 /nfs/dbraw/zinc/73/90/44/568739044.db2.gz MFXFNXUNPANSSE-QFIPXVFZSA-N 0 0 436.577 7.019 40 0 IKABRN CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000026780378 568739062 /nfs/dbraw/zinc/73/90/62/568739062.db2.gz XRXNVLYFDWQKBV-QFIPXVFZSA-N 0 0 442.619 5.101 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccc(F)cc2)c2cccs2)c1C ZINC000026770948 568739064 /nfs/dbraw/zinc/73/90/64/568739064.db2.gz MFXFNXUNPANSSE-JOCHJYFZSA-N 0 0 436.577 7.019 40 0 IKABRN CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000026780380 568739066 /nfs/dbraw/zinc/73/90/66/568739066.db2.gz XRXNVLYFDWQKBV-JOCHJYFZSA-N 0 0 442.619 5.101 40 0 IKABRN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1cc(C)cc(C)c1 ZINC000001944153 568742334 /nfs/dbraw/zinc/74/23/34/568742334.db2.gz UGFSWFZQTDRHIS-UHFFFAOYSA-N 0 0 439.533 5.235 40 0 IKABRN CCOP(=O)(OCC)c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)o1 ZINC000044831237 568755000 /nfs/dbraw/zinc/75/50/00/568755000.db2.gz ZYFDKKGYVZEZOX-UHFFFAOYSA-N 0 0 426.453 5.196 40 0 IKABRN COC(=O)c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000044199911 568760280 /nfs/dbraw/zinc/76/02/80/568760280.db2.gz LBVROFBGYQGSQU-UHFFFAOYSA-N 0 0 434.511 5.231 40 0 IKABRN Nc1c(Br)cc2nc(-c3ccc(Cl)c(Cl)c3)oc2c1Br ZINC000070461363 568782820 /nfs/dbraw/zinc/78/28/20/568782820.db2.gz ALUCJNSGLIIOJM-UHFFFAOYSA-N 0 0 436.918 5.909 40 0 IKABRN Nc1c(Br)cc2nc(-c3ccc(Br)cc3)oc2c1Br ZINC000070461355 568782856 /nfs/dbraw/zinc/78/28/56/568782856.db2.gz UDQXXYIZQVHQAQ-UHFFFAOYSA-N 0 0 446.924 5.365 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1Br ZINC000072229974 568783232 /nfs/dbraw/zinc/78/32/32/568783232.db2.gz TZFMVTMMBSTZBW-FQEVSTJZSA-N 0 0 446.728 5.445 40 0 IKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000072229911 568783235 /nfs/dbraw/zinc/78/32/35/568783235.db2.gz JKSLZFQEEHPTQR-QHCPKHFHSA-N 0 0 438.310 6.587 40 0 IKABRN COc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000001381411 568783864 /nfs/dbraw/zinc/78/38/64/568783864.db2.gz IFMTVUKNOYGRRK-UHFFFAOYSA-N 0 0 437.952 5.477 40 0 IKABRN CC[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000865627 568787497 /nfs/dbraw/zinc/78/74/97/568787497.db2.gz FMHHFDNLURANAG-BZUAXINKSA-N 0 0 440.897 5.602 40 0 IKABRN COc1cc(/C=C/c2ccccc2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000001744194 568787892 /nfs/dbraw/zinc/78/78/92/568787892.db2.gz ABBMRUVVKHTDCZ-DQBULIGTSA-N 0 0 425.311 6.791 40 0 IKABRN Cc1ccc(Br)cc1SCC(=O)Oc1c(C)cc(Br)cc1C ZINC000001791488 568788005 /nfs/dbraw/zinc/78/80/05/568788005.db2.gz IEOPFDUDCOQKOD-UHFFFAOYSA-N 0 0 444.188 5.835 40 0 IKABRN CCOc1ccc(-c2c(C)sc(NC(=O)c3ccccc3OCC)c2C(=O)OC)cc1 ZINC000001791121 568788009 /nfs/dbraw/zinc/78/80/09/568788009.db2.gz DJPBUJOOVVDRSW-UHFFFAOYSA-N 0 0 439.533 5.560 40 0 IKABRN Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000001838909 568788013 /nfs/dbraw/zinc/78/80/13/568788013.db2.gz LUTVREOTUYVIKD-VWLOTQADSA-N 0 0 435.907 5.535 40 0 IKABRN O=C(c1cccs1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000001049643 568788067 /nfs/dbraw/zinc/78/80/67/568788067.db2.gz URCBFPMQBJCRMP-NRFANRHFSA-N 0 0 426.463 6.036 40 0 IKABRN O=C(Nc1ccc(Br)cc1Br)c1cccc(Br)c1 ZINC000001434618 568788218 /nfs/dbraw/zinc/78/82/18/568788218.db2.gz GGQPKZZFCLSNMP-UHFFFAOYSA-N 0 0 433.925 5.226 40 0 IKABRN CCCCCOc1ccc(/C=C/C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1OC ZINC000001807742 568788290 /nfs/dbraw/zinc/78/82/90/568788290.db2.gz WRTICHIPCGPKOC-GXDHUFHOSA-N 0 0 448.515 5.478 40 0 IKABRN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001911806 568788406 /nfs/dbraw/zinc/78/84/06/568788406.db2.gz VBAPMYPPQSPHJX-UHFFFAOYSA-N 0 0 441.980 6.795 40 0 IKABRN CCCOc1ccc(/C=C/C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1OC ZINC000001904526 568788459 /nfs/dbraw/zinc/78/84/59/568788459.db2.gz HNBSICWXXWNZPR-MHWRWJLKSA-N 0 0 446.499 5.460 40 0 IKABRN CCc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 ZINC000001863150 568788541 /nfs/dbraw/zinc/78/85/41/568788541.db2.gz GFMVMEJVXMHRIQ-MUUNZHRXSA-N 0 0 443.543 5.752 40 0 IKABRN CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000001916399 568788774 /nfs/dbraw/zinc/78/87/74/568788774.db2.gz OWKOSGZFHRYXHF-UHFFFAOYSA-N 0 0 445.625 6.219 40 0 IKABRN CC[C@@H](C)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc([C@H](C)CC)cc3)n2)cc1 ZINC000002755527 568789129 /nfs/dbraw/zinc/78/91/29/568789129.db2.gz QITZFBWGQLGXPS-RTBURBONSA-N 0 0 429.564 6.613 40 0 IKABRN CCOc1ccc(-c2csc(NC(=O)COc3ccccc3Cl)c2C(=O)OC)cc1 ZINC000002889767 568789565 /nfs/dbraw/zinc/78/95/65/568789565.db2.gz YIJKDITZKYUOAJ-UHFFFAOYSA-N 0 0 445.924 5.271 40 0 IKABRN CCCOc1ccc(-c2csc(NC(=O)c3ccccc3Cl)c2C(=O)OC)cc1 ZINC000002889681 568789589 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CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000010315280 569222751 /nfs/dbraw/zinc/22/27/51/569222751.db2.gz LZTRGGHFGPGAKJ-UHFFFAOYSA-N 0 0 436.577 5.356 40 0 IKABRN Cc1cc(C)c(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010326284 569223038 /nfs/dbraw/zinc/22/30/38/569223038.db2.gz NDSRITNWEKMFGU-IBGZPJMESA-N 0 0 434.561 5.004 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010325392 569223041 /nfs/dbraw/zinc/22/30/41/569223041.db2.gz IQDXMEQZZQHWPG-INIZCTEOSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010325387 569223060 /nfs/dbraw/zinc/22/30/60/569223060.db2.gz DRAXYVMENSPEAR-MRXNPFEDSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010325381 569223064 /nfs/dbraw/zinc/22/30/64/569223064.db2.gz DRAXYVMENSPEAR-INIZCTEOSA-N 0 0 440.952 5.041 40 0 IKABRN CCCCc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1 ZINC000010326258 569223076 /nfs/dbraw/zinc/22/30/76/569223076.db2.gz GAHGYUXDHKFNPF-IBGZPJMESA-N 0 0 448.588 5.421 40 0 IKABRN Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1Cl ZINC000010325406 569223080 /nfs/dbraw/zinc/22/30/80/569223080.db2.gz ZGJUHARLSVCRAG-INIZCTEOSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4c(C)cc(C)cc4C)cc3C[C@H]2C)cc1 ZINC000010327157 569223143 /nfs/dbraw/zinc/22/31/43/569223143.db2.gz VEHOVCJAHNAKGE-HXUWFJFHSA-N 0 0 448.588 5.312 40 0 IKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(C)cc4C)cc3C[C@H]2C)cc1 ZINC000010326572 569223158 /nfs/dbraw/zinc/22/31/58/569223158.db2.gz AENXCNBLGSIZRH-LJQANCHMSA-N 0 0 434.561 5.004 40 0 IKABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3C[C@H]2C)cc1 ZINC000010326622 569223172 /nfs/dbraw/zinc/22/31/72/569223172.db2.gz JJSUNRFRTYPKNE-LJQANCHMSA-N 0 0 448.588 5.511 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2C)cc1 ZINC000010333225 569223334 /nfs/dbraw/zinc/22/33/34/569223334.db2.gz MBKWMAMBBRSISO-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)cc1 ZINC000010332966 569223340 /nfs/dbraw/zinc/22/33/40/569223340.db2.gz GFGPXWKWEPUBIR-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2)cc1)c1cccc(Cl)c1Cl ZINC000010338241 569223551 /nfs/dbraw/zinc/22/35/51/569223551.db2.gz JOYQMMPZDMFBIK-UHFFFAOYSA-N 0 0 449.359 5.212 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2C)cc1 ZINC000010357355 569223594 /nfs/dbraw/zinc/22/35/94/569223594.db2.gz NJSKPWWYHMIQKE-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010360435 569223757 /nfs/dbraw/zinc/22/37/57/569223757.db2.gz AZMLINMSNIXEPP-UHFFFAOYSA-N 0 0 444.512 5.532 40 0 IKABRN Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1NS(C)(=O)=O ZINC000010361471 569223765 /nfs/dbraw/zinc/22/37/65/569223765.db2.gz NZTZKYXGTKWNHG-UHFFFAOYSA-N 0 0 440.590 5.220 40 0 IKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010365750 569223847 /nfs/dbraw/zinc/22/38/47/569223847.db2.gz OWCKRTARODBWMP-UHFFFAOYSA-N 0 0 446.931 5.006 40 0 IKABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000010364225 569223864 /nfs/dbraw/zinc/22/38/64/569223864.db2.gz BDKXSCRWGCDVJF-UHFFFAOYSA-N 0 0 448.519 5.197 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010362525 569223869 /nfs/dbraw/zinc/22/38/69/569223869.db2.gz WEKWVGUFEHVADE-UHFFFAOYSA-N 0 0 446.931 5.006 40 0 IKABRN Cc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000010370933 569224152 /nfs/dbraw/zinc/22/41/52/569224152.db2.gz RCXXBSHGEFIKIH-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)S(C)(=O)=O)c1 ZINC000010433900 569224209 /nfs/dbraw/zinc/22/42/09/569224209.db2.gz VHLBMPZUDGDPMF-UHFFFAOYSA-N 0 0 436.577 5.337 40 0 IKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)S(C)(=O)=O)c1 ZINC000010433963 569224267 /nfs/dbraw/zinc/22/42/67/569224267.db2.gz NJPQFBSWTFRLSB-UHFFFAOYSA-N 0 0 436.577 5.337 40 0 IKABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000010434250 569224382 /nfs/dbraw/zinc/22/43/82/569224382.db2.gz VIZPMMGZLRIBMA-UHFFFAOYSA-N 0 0 449.787 5.140 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2)cc1 ZINC000011196695 569224609 /nfs/dbraw/zinc/22/46/09/569224609.db2.gz AIHXENAZDIYQEE-UHFFFAOYSA-N 0 0 434.952 5.627 40 0 IKABRN Cc1cccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C(C)(C)C)N4)C2)c1 ZINC000012160732 569224955 /nfs/dbraw/zinc/22/49/55/569224955.db2.gz NGXURAVDXYYDHZ-IHPCNDPISA-N 0 0 448.533 5.084 40 0 IKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1Cl ZINC000012249519 569225069 /nfs/dbraw/zinc/22/50/69/569225069.db2.gz MNUVSNUYZIHJCP-UHFFFAOYSA-N 0 0 444.727 5.340 40 0 IKABRN O=C(Nc1ccccc1I)c1sc2cc(Cl)ccc2c1Cl ZINC000014429697 569225107 /nfs/dbraw/zinc/22/51/07/569225107.db2.gz HHNCLMIJCLJXKZ-UHFFFAOYSA-N 0 0 448.112 6.065 40 0 IKABRN COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000015223550 569225266 /nfs/dbraw/zinc/22/52/66/569225266.db2.gz UWYNSVNJEYSOTD-RCCKNPSSSA-N 0 0 433.305 5.292 40 0 IKABRN CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000015529148 569225489 /nfs/dbraw/zinc/22/54/89/569225489.db2.gz VOHKMIBXVJMHHI-UHFFFAOYSA-N 0 0 426.563 5.078 40 0 IKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000015653695 569225711 /nfs/dbraw/zinc/22/57/11/569225711.db2.gz DIBIXNYQPWZPKG-UHFFFAOYSA-N 0 0 445.268 5.503 40 0 IKABRN O=C(c1ccc(F)cc1)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019687731 569227397 /nfs/dbraw/zinc/22/73/97/569227397.db2.gz AGHIGFRJYIEZOG-JOCHJYFZSA-N 0 0 444.428 5.044 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3ccc4c(c3)C[C@@H](C)O4)c2)cc1 ZINC000019690664 569227597 /nfs/dbraw/zinc/22/75/97/569227597.db2.gz GHSOSVZEPXRKMO-NIYFSFCBSA-N 0 0 442.559 5.295 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3ccc4c(c3)C[C@H](C)O4)c2)cc1 ZINC000019690662 569227601 /nfs/dbraw/zinc/22/76/01/569227601.db2.gz GHSOSVZEPXRKMO-AFMDSPMNSA-N 0 0 442.559 5.295 40 0 IKABRN Cc1ccn2cc(C(=O)N3CCC(c4cc(-c5ccc(F)cc5)cc(C)n4)CC3)nc2c1 ZINC000019691210 569227669 /nfs/dbraw/zinc/22/76/69/569227669.db2.gz ZXZXMMWRQDAVPQ-UHFFFAOYSA-N 0 0 428.511 5.172 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)n1 ZINC000019691231 569227685 /nfs/dbraw/zinc/22/76/85/569227685.db2.gz ULWYXNLSWYGTGN-UHFFFAOYSA-N 0 0 442.538 5.411 40 0 IKABRN COc1ccc(C(=O)N2CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC2)c(OC)c1 ZINC000019691161 569227698 /nfs/dbraw/zinc/22/76/98/569227698.db2.gz YTHOQASASOCGGV-UHFFFAOYSA-N 0 0 434.511 5.233 40 0 IKABRN COc1ccc(CC(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1OC ZINC000019691103 569227714 /nfs/dbraw/zinc/22/77/14/569227714.db2.gz KBBQKVFCLCGFEY-UHFFFAOYSA-N 0 0 430.548 5.023 40 0 IKABRN O=C(c1cc2ccc(F)cc2[nH]1)N1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 ZINC000019692223 569227778 /nfs/dbraw/zinc/22/77/78/569227778.db2.gz OTGRIRPLZNVMSD-DEOSSOPVSA-N 0 0 449.913 5.160 40 0 IKABRN CCn1nc2c(c1C(=O)N1CCC(c3cc(-c4ccccc4)cc(C)n3)CC1)CCCC2 ZINC000019691412 569227832 /nfs/dbraw/zinc/22/78/32/569227832.db2.gz FMPSWDNQHOPQNC-UHFFFAOYSA-N 0 0 428.580 5.172 40 0 IKABRN COc1cccc(-c2ccc([C@H]3CN(C(=O)c4cc5ccc(Cl)cc5[nH]4)CCO3)nc2)c1 ZINC000019693105 569228577 /nfs/dbraw/zinc/22/85/77/569228577.db2.gz XUNFHMRZEFEJAI-XMMPIXPASA-N 0 0 447.922 5.106 40 0 IKABRN O=C(CC1CCCCC1)N1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000019693222 569228718 /nfs/dbraw/zinc/22/87/18/569228718.db2.gz RWTGCZWYTRGBKP-IBGZPJMESA-N 0 0 433.474 5.033 40 0 IKABRN CC(C)c1ccc(OCc2cc([C@H]3CCN(C(=O)c4cc5ccc(F)cc5[nH]4)C3)[nH]n2)cc1 ZINC000019704644 569233431 /nfs/dbraw/zinc/23/34/31/569233431.db2.gz COLKMBOSOLDSKW-IBGZPJMESA-N 0 0 446.526 5.362 40 0 IKABRN Cc1nc([C@@]2(O)CCCN(C(=O)CC3CCCCC3)CC2)sc1COc1ccccc1 ZINC000019705178 569233989 /nfs/dbraw/zinc/23/39/89/569233989.db2.gz HFRPNOWHUAOTDD-RUZDIDTESA-N 0 0 442.625 5.201 40 0 IKABRN CCN(C(=O)c1cnc(C)cn1)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 ZINC000019711969 569235040 /nfs/dbraw/zinc/23/50/40/569235040.db2.gz ILQXMTIYZNUKMF-LADGPHEKSA-N 0 0 437.490 5.113 40 0 IKABRN Cc1nc([C@H]2CCCCN2C(=O)C2CCCCC2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019764846 569238688 /nfs/dbraw/zinc/23/86/88/569238688.db2.gz JBRQVIGIGPARER-OAQYLSRUSA-N 0 0 440.975 5.325 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2)cc1 ZINC000019855788 569239712 /nfs/dbraw/zinc/23/97/12/569239712.db2.gz ICDFGSHQOOWGOE-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN Cc1c(NC(=O)c2ccc(CSCc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000020238986 569241122 /nfs/dbraw/zinc/24/11/22/569241122.db2.gz QLGQUWBNWXJTPK-UHFFFAOYSA-N 0 0 443.572 5.170 40 0 IKABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000023682157 569241874 /nfs/dbraw/zinc/24/18/74/569241874.db2.gz BRKOXQXFTFJQLQ-UHFFFAOYSA-N 0 0 437.517 5.035 40 0 IKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)ccc21 ZINC000026111091 569242121 /nfs/dbraw/zinc/24/21/21/569242121.db2.gz MDVDZTKLTYFADV-UHFFFAOYSA-N 0 0 433.360 6.063 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C(=O)N1CCC(C)CC1 ZINC000026118910 569242494 /nfs/dbraw/zinc/24/24/94/569242494.db2.gz LTJVHBFJMSCYHD-UHFFFAOYSA-N 0 0 446.638 5.007 40 0 IKABRN COc1ccc(C(C)C)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000026843848 569242627 /nfs/dbraw/zinc/24/26/27/569242627.db2.gz IAZXYTQGKKVMHA-UHFFFAOYSA-N 0 0 426.321 5.441 40 0 IKABRN CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028207113 569242748 /nfs/dbraw/zinc/24/27/48/569242748.db2.gz YGXRFKDFEIPKQD-LJQANCHMSA-N 0 0 448.588 5.421 40 0 IKABRN CCCN(c1ccc2sc(C(=O)NC(C)(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209225 569242919 /nfs/dbraw/zinc/24/29/19/569242919.db2.gz BSPBDLWIUJUOMN-UHFFFAOYSA-N 0 0 444.622 5.343 40 0 IKABRN CCCN(c1ccc2sc(C(=O)N[C@H](C)CC)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209224 569242941 /nfs/dbraw/zinc/24/29/41/569242941.db2.gz XMZAXRFSRINMTN-QGZVFWFLSA-N 0 0 444.622 5.343 40 0 IKABRN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000028210399 569243064 /nfs/dbraw/zinc/24/30/64/569243064.db2.gz DFTQISFIAISPEB-UHFFFAOYSA-N 0 0 433.920 5.650 40 0 IKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)Nc1ccccc1Cl ZINC000032692486 569243577 /nfs/dbraw/zinc/24/35/77/569243577.db2.gz IBRLIUXDZLVMAL-UHFFFAOYSA-N 0 0 444.727 5.340 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2-c2ccccc2)c1 ZINC000032686236 569243578 /nfs/dbraw/zinc/24/35/78/569243578.db2.gz FXEDPIIDEDRMMJ-UHFFFAOYSA-N 0 0 442.588 6.097 40 0 IKABRN CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000033374924 569243652 /nfs/dbraw/zinc/24/36/52/569243652.db2.gz XIAXKIZHPQHPEQ-SFHVURJKSA-N 0 0 449.916 5.051 40 0 IKABRN COc1c(Br)cc(C(=O)Nc2cccc(C)c2)cc1OCc1ccccc1 ZINC000033386017 569243656 /nfs/dbraw/zinc/24/36/56/569243656.db2.gz KPAAZBLDADTGHV-UHFFFAOYSA-N 0 0 426.310 5.597 40 0 IKABRN CCCOc1c(I)cc(C(=O)Nc2ccc(C)cc2)cc1OCC ZINC000033386463 569243679 /nfs/dbraw/zinc/24/36/79/569243679.db2.gz CKOKHZIXRNQKGN-UHFFFAOYSA-N 0 0 439.293 5.039 40 0 IKABRN O=C(COc1ccc(CNc2ccccc2)cc1Br)Nc1ccc(F)cc1 ZINC000033375944 569243686 /nfs/dbraw/zinc/24/36/86/569243686.db2.gz XEIYLDWPQZEXGE-UHFFFAOYSA-N 0 0 429.289 5.218 40 0 IKABRN S=C(c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)N1CCCC1 ZINC000033369945 569243691 /nfs/dbraw/zinc/24/36/91/569243691.db2.gz CQZIERUHLIYASX-UHFFFAOYSA-N 0 0 445.209 6.106 40 0 IKABRN C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1 ZINC000033397218 569243838 /nfs/dbraw/zinc/24/38/38/569243838.db2.gz UCHDKJIISZBCOC-LDADJPATSA-N 0 0 430.323 5.250 40 0 IKABRN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000033404270 569243862 /nfs/dbraw/zinc/24/38/62/569243862.db2.gz FCAMQEAZQNTNOR-CYBMUJFWSA-N 0 0 435.380 5.388 40 0 IKABRN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000033404271 569243880 /nfs/dbraw/zinc/24/38/80/569243880.db2.gz FCAMQEAZQNTNOR-ZDUSSCGKSA-N 0 0 435.380 5.388 40 0 IKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000033392771 569243909 /nfs/dbraw/zinc/24/39/09/569243909.db2.gz IEPDMQSPDKBPAP-CYBMUJFWSA-N 0 0 435.380 5.388 40 0 IKABRN CCCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2C)cc1OCC ZINC000033467606 569244093 /nfs/dbraw/zinc/24/40/93/569244093.db2.gz MZTKEEUICYDLAO-UHFFFAOYSA-N 0 0 426.738 5.851 40 0 IKABRN Clc1ccc(CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)cc1 ZINC000033437595 569244124 /nfs/dbraw/zinc/24/41/24/569244124.db2.gz IFSRBNKLAMUZOM-UHFFFAOYSA-N 0 0 429.756 6.334 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1 ZINC000033493062 569244220 /nfs/dbraw/zinc/24/42/20/569244220.db2.gz UYTKGJVLQPVRPB-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nn12 ZINC000033516128 569244260 /nfs/dbraw/zinc/24/42/60/569244260.db2.gz ILRZQZDAZCEBET-UHFFFAOYSA-N 0 0 432.336 5.283 40 0 IKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(Cl)cc1Cl ZINC000033547530 569244332 /nfs/dbraw/zinc/24/43/32/569244332.db2.gz FSDQNPMPAYRQRV-UHFFFAOYSA-N 0 0 442.799 5.764 40 0 IKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 ZINC000033547073 569244338 /nfs/dbraw/zinc/24/43/38/569244338.db2.gz TUUBPWOMVGWYTN-UHFFFAOYSA-N 0 0 431.989 5.246 40 0 IKABRN Cc1cccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033547269 569244415 /nfs/dbraw/zinc/24/44/15/569244415.db2.gz PTJBAPZURZBDBT-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)o1 ZINC000033560793 569244506 /nfs/dbraw/zinc/24/45/06/569244506.db2.gz CDWMLCKOKHTONL-VCHYOVAHSA-N 0 0 443.864 5.216 40 0 IKABRN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000033582214 569244666 /nfs/dbraw/zinc/24/46/66/569244666.db2.gz SCHMHFQHGBGZIJ-CYBMUJFWSA-N 0 0 435.380 5.214 40 0 IKABRN Cc1c(Cl)cccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000033582674 569244672 /nfs/dbraw/zinc/24/46/72/569244672.db2.gz GTPOKFWUTGXINQ-UHFFFAOYSA-N 0 0 429.781 6.297 40 0 IKABRN O=C(c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000033584399 569244719 /nfs/dbraw/zinc/24/47/19/569244719.db2.gz ZBSNJFGNHJYQEJ-HXUWFJFHSA-N 0 0 433.515 5.250 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Br)c(C)c1 ZINC000033579526 569244737 /nfs/dbraw/zinc/24/47/37/569244737.db2.gz WWOIHVFLMRCKLV-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000033599717 569244833 /nfs/dbraw/zinc/24/48/33/569244833.db2.gz OCQHDBKAHXKJBZ-UHFFFAOYSA-N 0 0 440.790 5.461 40 0 IKABRN CCc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000033614674 569244975 /nfs/dbraw/zinc/24/49/75/569244975.db2.gz RKVKWVXTJDBATK-UHFFFAOYSA-N 0 0 429.903 6.157 40 0 IKABRN COC(=O)c1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000033625072 569245026 /nfs/dbraw/zinc/24/50/26/569245026.db2.gz ZFNHXJHXMFPIJG-UHFFFAOYSA-N 0 0 439.345 5.122 40 0 IKABRN Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)c1 ZINC000033621760 569245035 /nfs/dbraw/zinc/24/50/35/569245035.db2.gz VSSMHSOCSVHHJX-ZDUSSCGKSA-N 0 0 435.380 5.214 40 0 IKABRN CCOc1cc(C(=S)N2CCCCC2)cc(Br)c1OCc1ccc(C)cc1 ZINC000033645947 569245218 /nfs/dbraw/zinc/24/52/18/569245218.db2.gz OGPJKMFFVHJTSG-UHFFFAOYSA-N 0 0 448.426 5.897 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000033653077 569245379 /nfs/dbraw/zinc/24/53/79/569245379.db2.gz CNJNVUAFHBDCIU-OAQYLSRUSA-N 0 0 447.343 5.613 40 0 IKABRN COc1c(Cl)cc(C(=O)NCc2cccc3ccccc32)cc1OCc1ccccc1 ZINC000033659995 569245459 /nfs/dbraw/zinc/24/54/59/569245459.db2.gz NPVGUOMHEFAEPK-UHFFFAOYSA-N 0 0 431.919 6.011 40 0 IKABRN CCCOc1c(Br)cc(C(=O)NCc2cccc3ccccc32)cc1OCC ZINC000033662637 569245633 /nfs/dbraw/zinc/24/56/33/569245633.db2.gz QAXLLCUDWKYIIX-UHFFFAOYSA-N 0 0 442.353 5.720 40 0 IKABRN COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000033697380 569245852 /nfs/dbraw/zinc/24/58/52/569245852.db2.gz VSRLAALVHZDKCA-UHFFFAOYSA-N 0 0 428.891 5.426 40 0 IKABRN CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1=O ZINC000033704622 569245981 /nfs/dbraw/zinc/24/59/81/569245981.db2.gz JBIOWDSIIBTIOV-QPNANDPSSA-N 0 0 448.544 5.311 40 0 IKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000033710944 569245987 /nfs/dbraw/zinc/24/59/87/569245987.db2.gz JVAFFSIOPYEOTE-OAQYLSRUSA-N 0 0 440.952 5.687 40 0 IKABRN Cc1ccc(CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)cc1 ZINC000033714051 569246000 /nfs/dbraw/zinc/24/60/00/569246000.db2.gz TVRJREHFLFHIEK-CYBMUJFWSA-N 0 0 435.380 5.214 40 0 IKABRN Cc1ccc(C)c(NC(=O)COc2ccc(CNc3ccc(C)c(Cl)c3)cc2Cl)c1 ZINC000033715907 569246158 /nfs/dbraw/zinc/24/61/58/569246158.db2.gz CULPUGGAYMCYFN-UHFFFAOYSA-N 0 0 443.374 6.548 40 0 IKABRN CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000033737167 569246340 /nfs/dbraw/zinc/24/63/40/569246340.db2.gz CZCGDHJYZMZMEI-UHFFFAOYSA-N 0 0 428.891 5.507 40 0 IKABRN COc1cc(C(=S)N2CCCCC2)c(Br)cc1OCc1ccc(F)cc1 ZINC000033737187 569246385 /nfs/dbraw/zinc/24/63/85/569246385.db2.gz PPNBOVAWTHZUFC-UHFFFAOYSA-N 0 0 438.362 5.337 40 0 IKABRN CCOc1c(Cl)cc(C(=O)NCc2cccc3ccccc32)cc1OCc1ccccc1 ZINC000033768683 569246555 /nfs/dbraw/zinc/24/65/55/569246555.db2.gz IDDGNZAQDHKQJZ-UHFFFAOYSA-N 0 0 445.946 6.401 40 0 IKABRN COc1cc(C(=O)Nc2ccccc2Br)ccc1OCc1ccc(C)cc1 ZINC000033763246 569246587 /nfs/dbraw/zinc/24/65/87/569246587.db2.gz QQLZHLTXUUAZJU-UHFFFAOYSA-N 0 0 426.310 5.597 40 0 IKABRN CCOc1cc(CNc2cccc(Cl)c2)cc(I)c1OCC ZINC000033761047 569246593 /nfs/dbraw/zinc/24/65/93/569246593.db2.gz MSXQEUQNMLDTTG-UHFFFAOYSA-N 0 0 431.701 5.354 40 0 IKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1 ZINC000033781824 569246701 /nfs/dbraw/zinc/24/67/01/569246701.db2.gz DZKOVLFKTWYFMP-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)o2)cc1C ZINC000033803574 569246960 /nfs/dbraw/zinc/24/69/60/569246960.db2.gz TWFNOTNMAUJGRN-UHFFFAOYSA-N 0 0 444.918 6.721 40 0 IKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2cccc(C)c2C)cc1 ZINC000033825306 569246980 /nfs/dbraw/zinc/24/69/80/569246980.db2.gz DADXQBALNZZAKA-UHFFFAOYSA-N 0 0 444.394 5.770 40 0 IKABRN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Br)cc1 ZINC000033804089 569246984 /nfs/dbraw/zinc/24/69/84/569246984.db2.gz ZLAMQWBJQCEBGV-UHFFFAOYSA-N 0 0 443.197 6.327 40 0 IKABRN COc1c(Br)cc(C(=O)Nc2ccccc2Cl)cc1OCc1ccccc1 ZINC000033789604 569246992 /nfs/dbraw/zinc/24/69/92/569246992.db2.gz JKZCGYWTBUJLJX-UHFFFAOYSA-N 0 0 446.728 5.942 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c1 ZINC000034690008 569247199 /nfs/dbraw/zinc/24/71/99/569247199.db2.gz WSNJESNPPQDFLY-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN Cc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000034688211 569247256 /nfs/dbraw/zinc/24/72/56/569247256.db2.gz PQTVGHIDEIYCJC-UHFFFAOYSA-N 0 0 442.968 5.099 40 0 IKABRN C/C=C/[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C ZINC000034237915 569247282 /nfs/dbraw/zinc/24/72/82/569247282.db2.gz RTCKAOKDXNYXEH-UCOVSWHWSA-N 0 0 431.620 5.959 40 0 IKABRN COc1cc(C(=S)N2CCC(C)CC2)c(Br)cc1OCc1ccccc1 ZINC000034706196 569247400 /nfs/dbraw/zinc/24/74/00/569247400.db2.gz OTTJRELVSILPDG-UHFFFAOYSA-N 0 0 434.399 5.444 40 0 IKABRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000034718379 569247404 /nfs/dbraw/zinc/24/74/04/569247404.db2.gz PKVYDOMKIPLBOC-UHFFFAOYSA-N 0 0 449.765 7.149 40 0 IKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)C1=O ZINC000034721555 569247446 /nfs/dbraw/zinc/24/74/46/569247446.db2.gz IYTUUYXFTVWQJB-VYVDHXHBSA-N 0 0 438.549 5.156 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)cc1Cl ZINC000034720515 569247510 /nfs/dbraw/zinc/24/75/10/569247510.db2.gz HZUJZEJYSUHETR-UHFFFAOYSA-N 0 0 433.310 6.071 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5cc(Cl)ccc5o4)c3)o2)cc1C ZINC000034720369 569247519 /nfs/dbraw/zinc/24/75/19/569247519.db2.gz LQHAGBBZGKJNRA-UHFFFAOYSA-N 0 0 442.902 7.277 40 0 IKABRN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1sc2cc(Cl)ccc2c1Cl ZINC000034888493 569247912 /nfs/dbraw/zinc/24/79/12/569247912.db2.gz UEFCMIIDFRDPBD-UHFFFAOYSA-N 0 0 449.306 6.354 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000034890303 569247917 /nfs/dbraw/zinc/24/79/17/569247917.db2.gz VVYVSLHQHRURSA-KPKJPENVSA-N 0 0 436.294 6.419 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OCc1ccccc1 ZINC000034889121 569247919 /nfs/dbraw/zinc/24/79/19/569247919.db2.gz ZIQCPLWOKGQDHJ-UHFFFAOYSA-N 0 0 436.722 6.487 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 ZINC000034933881 569248105 /nfs/dbraw/zinc/24/81/05/569248105.db2.gz FFQWJFWUZNKFCB-UHFFFAOYSA-N 0 0 448.906 5.282 40 0 IKABRN CN(C(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 ZINC000035131912 569248246 /nfs/dbraw/zinc/24/82/46/569248246.db2.gz SZTNJDGUSPXRJA-UHFFFAOYSA-N 0 0 430.511 6.632 40 0 IKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 ZINC000035124596 569248263 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O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(Br)cc1 ZINC000035264148 569248511 /nfs/dbraw/zinc/24/85/11/569248511.db2.gz MYCCAFXUZMTDRY-UHFFFAOYSA-N 0 0 429.701 5.607 40 0 IKABRN COc1ccc(COc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCCC5)cc2)cc1 ZINC000035316388 569248570 /nfs/dbraw/zinc/24/85/70/569248570.db2.gz GALGAJBPBRNLJS-UHFFFAOYSA-N 0 0 432.545 5.508 40 0 IKABRN CCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1OCC ZINC000035376292 569248647 /nfs/dbraw/zinc/24/86/47/569248647.db2.gz LQQGYXLPFIWTED-UHFFFAOYSA-N 0 0 435.314 5.066 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C\C2=C(C)CCCC2(C)C)cc1 ZINC000095908362 569250170 /nfs/dbraw/zinc/25/01/70/569250170.db2.gz VRSMJNVXOITYPE-SECULHMASA-N 0 0 447.619 7.333 40 0 IKABRN CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000107583684 569250470 /nfs/dbraw/zinc/25/04/70/569250470.db2.gz VOKZGKKZLOIRRX-UHFFFAOYSA-N 0 0 448.773 6.419 40 0 IKABRN CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000107604234 569250549 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438.531 5.220 40 0 IKABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3nccc4ccccc43)o2)c1 ZINC000257273698 569277677 /nfs/dbraw/zinc/27/76/77/569277677.db2.gz NHTSTADUDJGFNJ-HSZRJFAPSA-N 0 0 427.504 5.190 40 0 IKABRN CN(C)c1cccc(C(=O)N2CCC[C@H]2c2cccc(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000257275173 569277711 /nfs/dbraw/zinc/27/77/11/569277711.db2.gz NOEWGMVSQRVTRU-QHCPKHFHSA-N 0 0 439.481 5.811 40 0 IKABRN CCCC(=O)N[C@@]1(C)C[C@@H](c2cc(Br)ccc2OC)O[C@H]2C[C@@H](C)CC[C@@H]21 ZINC000257276274 569277757 /nfs/dbraw/zinc/27/77/57/569277757.db2.gz NTBNVUBPNGSGKL-HRXUQERBSA-N 0 0 438.406 5.399 40 0 IKABRN COc1ccccc1CCC(=O)N1CCC[C@H](c2ccc(Cc3cccc(C)c3)cn2)C1 ZINC000257277798 569277802 /nfs/dbraw/zinc/27/78/02/569277802.db2.gz NZKHDTLEEMVUKD-VWLOTQADSA-N 0 0 428.576 5.328 40 0 IKABRN Cc1cc2occ(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)c2cc1C ZINC000257278186 569277803 /nfs/dbraw/zinc/27/78/03/569277803.db2.gz OBFGIMIJDOLZPR-IYARVYRRSA-N 0 0 449.576 5.794 40 0 IKABRN COc1ccccc1CCC(=O)N1CCC[C@@H](c2ccc(Cc3cccc(C)c3)cn2)C1 ZINC000257277797 569277826 /nfs/dbraw/zinc/27/78/26/569277826.db2.gz NZKHDTLEEMVUKD-RUZDIDTESA-N 0 0 428.576 5.328 40 0 IKABRN CCOc1ccccc1Cc1ccc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc1 ZINC000257276680 569277849 /nfs/dbraw/zinc/27/78/49/569277849.db2.gz NURWZUCLZSWOPN-HSZRJFAPSA-N 0 0 432.539 5.159 40 0 IKABRN O=C(c1ccc2ncccc2c1)N1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 ZINC000257276718 569277851 /nfs/dbraw/zinc/27/78/51/569277851.db2.gz NUWAXSDVXJIHJU-RUZDIDTESA-N 0 0 443.934 5.088 40 0 IKABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)o2)c1 ZINC000257277893 569277877 /nfs/dbraw/zinc/27/78/77/569277877.db2.gz NZXWQIQNCXSOMH-QHCPKHFHSA-N 0 0 433.483 5.262 40 0 IKABRN O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2cccc3cccnc32)C1 ZINC000257283370 569277930 /nfs/dbraw/zinc/27/79/30/569277930.db2.gz OXZLOINBFFSXBL-QFIPXVFZSA-N 0 0 436.555 5.084 40 0 IKABRN CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000257283978 569277957 /nfs/dbraw/zinc/27/79/57/569277957.db2.gz PATHIMKSZICNNL-IBGZPJMESA-N 0 0 436.577 5.369 40 0 IKABRN CCNc1nc(C)c(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)s1 ZINC000257281075 569277986 /nfs/dbraw/zinc/27/79/86/569277986.db2.gz ONMJXFPPRPYKMD-SFHVURJKSA-N 0 0 444.988 5.483 40 0 IKABRN Cc1ncsc1-c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)ccn1 ZINC000257287278 569278077 /nfs/dbraw/zinc/27/80/77/569278077.db2.gz PPGGRYFJDGLTFA-QFIPXVFZSA-N 0 0 444.560 5.460 40 0 IKABRN Cc1ccc([C@@H](C)C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3ccncc3)CC2)cc1 ZINC000257285636 569278102 /nfs/dbraw/zinc/27/81/02/569278102.db2.gz PIBVMDRIXJEHFY-ZILOHOTNSA-N 0 0 428.580 5.349 40 0 IKABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2cccc3ncccc23)CC1 ZINC000257286062 569278111 /nfs/dbraw/zinc/27/81/11/569278111.db2.gz PKAQBQVTSLCZKL-FQEVSTJZSA-N 0 0 438.531 5.302 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)C2)n1 ZINC000257289821 569278219 /nfs/dbraw/zinc/27/82/19/569278219.db2.gz QAHWDNBPMOAHQT-CVDCTZTESA-N 0 0 443.522 5.028 40 0 IKABRN O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257290246 569278241 /nfs/dbraw/zinc/27/82/41/569278241.db2.gz QCDRBIPAODLBJP-IBGZPJMESA-N 0 0 431.923 5.487 40 0 IKABRN CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000257302836 569278495 /nfs/dbraw/zinc/27/84/95/569278495.db2.gz SERDTRQQCRJSHA-DEOSSOPVSA-N 0 0 444.619 5.387 40 0 IKABRN O=C([O-])c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)nc1CCCc1ccccc1 ZINC000257298246 569278588 /nfs/dbraw/zinc/27/85/88/569278588.db2.gz RKVRHOWZIHUIHM-RUZDIDTESA-N 0 0 434.967 5.946 40 0 IKABRN Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](Cc2cccc3cccnc32)CC1 ZINC000257306673 569278651 /nfs/dbraw/zinc/27/86/51/569278651.db2.gz SVHQWQBRSQATTE-QFIPXVFZSA-N 0 0 438.575 5.273 40 0 IKABRN COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)ccc1OC(C)C ZINC000257303813 569278662 /nfs/dbraw/zinc/27/86/62/569278662.db2.gz SIUWOEMSNZTPHL-MMMUJPEDSA-N 0 0 429.601 5.137 40 0 IKABRN 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/nfs/dbraw/zinc/27/91/12/569279112.db2.gz VNFWJYWVGZSEQD-RUZDIDTESA-N 0 0 425.576 5.075 40 0 IKABRN CN1CCCc2cc(C(=O)N3CCC[C@H](c4ccc(Cc5ccccc5)cn4)C3)ccc21 ZINC000257318283 569279141 /nfs/dbraw/zinc/27/91/41/569279141.db2.gz VNFWJYWVGZSEQD-VWLOTQADSA-N 0 0 425.576 5.075 40 0 IKABRN COc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ncc(Cc5ccccc5Cl)o4)C3)cc21 ZINC000257322461 569279222 /nfs/dbraw/zinc/27/92/22/569279222.db2.gz WGBXSLJAAJFBMA-KRWDZBQOSA-N 0 0 449.938 5.429 40 0 IKABRN COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc5c(cccc5C)[nH]4)C3)o2)c1 ZINC000257321770 569279223 /nfs/dbraw/zinc/27/92/23/569279223.db2.gz WDECCRKBXGYXGR-IBGZPJMESA-N 0 0 429.520 5.084 40 0 IKABRN Cc1nc(Nc2cc(C)nc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)c2)sc1C ZINC000257321718 569279270 /nfs/dbraw/zinc/27/92/70/569279270.db2.gz WCXATXSDPYWSQB-XMMPIXPASA-N 0 0 445.592 5.329 40 0 IKABRN O=C([O-])c1sc2ccccc2c1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000257321199 569279291 /nfs/dbraw/zinc/27/92/91/569279291.db2.gz WAOSIKXTRICSMO-GOSISDBHSA-N 0 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569279650 /nfs/dbraw/zinc/27/96/50/569279650.db2.gz YWLUXEHAZPRRCC-QHCPKHFHSA-N 0 0 448.473 5.301 40 0 IKABRN Cc1ccn2cc(C(=O)N3CCC[C@H](c4cc(-c5ccc(F)cc5)cc(C)n4)C3)nc2c1 ZINC000257338818 569279695 /nfs/dbraw/zinc/27/96/95/569279695.db2.gz YZBNQMAUKYRRGV-FQEVSTJZSA-N 0 0 428.511 5.172 40 0 IKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4nc5cc(F)ccc5[nH]4)C3)c2)cc1 ZINC000257340559 569279781 /nfs/dbraw/zinc/27/97/81/569279781.db2.gz ZGROGCHBZYHMPO-GOSISDBHSA-N 0 0 444.510 5.101 40 0 IKABRN Cc1ccc(C2(C(=O)N3CCC[C@@H](Cc4ccc5cnccc5c4)CC3)CCOCC2)cc1 ZINC000257340611 569279834 /nfs/dbraw/zinc/27/98/34/569279834.db2.gz ZGWNHFLQCIRJQY-HSZRJFAPSA-N 0 0 442.603 5.463 40 0 IKABRN CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)s1 ZINC000257341337 569279846 /nfs/dbraw/zinc/27/98/46/569279846.db2.gz ZJXOQHWJHHBJBN-GOSISDBHSA-N 0 0 444.988 5.483 40 0 IKABRN CC1(C)Oc2ccc(OCc3ccccc3)cc2[C@H]2O[C@@H](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000257343536 569279915 /nfs/dbraw/zinc/27/99/15/569279915.db2.gz 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CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000257350517 569280702 /nfs/dbraw/zinc/28/07/02/569280702.db2.gz YAXRKAKOIWXVHL-CAICUZAUSA-N 0 0 440.712 7.982 40 0 IKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000257752787 569281024 /nfs/dbraw/zinc/28/10/24/569281024.db2.gz ZCBDFGFNCFLBOL-MKMJMBCESA-N 0 0 426.729 8.335 40 0 IKABRN Cc1cc(C)cc(N(CCCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000260508190 569281178 /nfs/dbraw/zinc/28/11/78/569281178.db2.gz PXTRVMBXVLNHSU-HXUWFJFHSA-N 0 0 444.641 5.025 40 0 IKABRN Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCCC[C@H]3C)n2)cc1 ZINC000260712549 569281443 /nfs/dbraw/zinc/28/14/43/569281443.db2.gz IWJBCCXYKSFMPY-LJQANCHMSA-N 0 0 447.608 5.443 40 0 IKABRN CC(C)Oc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Br ZINC000260756089 569281558 /nfs/dbraw/zinc/28/15/58/569281558.db2.gz DDZAAXPGHQTUCB-UPRAQXHNSA-N 0 0 432.387 5.221 40 0 IKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N21 ZINC000260772310 569281587 /nfs/dbraw/zinc/28/15/87/569281587.db2.gz NHRWOYZUSOUURW-YHYVQYDKSA-N 0 0 437.653 6.362 40 0 IKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3nc4ccccc4s3)N21 ZINC000260769160 569281599 /nfs/dbraw/zinc/28/15/99/569281599.db2.gz KGVHHYQGTAGNLT-NQERJWCQSA-N 0 0 431.590 5.461 40 0 IKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Br)c2)S1 ZINC000260769365 569281616 /nfs/dbraw/zinc/28/16/16/569281616.db2.gz LTXHGWZFKUHNND-JSNMRZPZSA-N 0 0 439.382 5.224 40 0 IKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccc(Cl)cc3)cc2)S1 ZINC000260771990 569281637 /nfs/dbraw/zinc/28/16/37/569281637.db2.gz MCODFFANQSAFPS-UJUVCNOISA-N 0 0 438.021 6.476 40 0 IKABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc(Cl)c1OCC ZINC000260783809 569281686 /nfs/dbraw/zinc/28/16/86/569281686.db2.gz UIVBBVXNWZSUCK-CWFSZBLJSA-N 0 0 431.989 5.512 40 0 IKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N21 ZINC000260781623 569281741 /nfs/dbraw/zinc/28/17/41/569281741.db2.gz UCMDXYYSHYYMSJ-OREJSRFESA-N 0 0 444.387 6.628 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1C1CCCCC1 ZINC000260911655 569281970 /nfs/dbraw/zinc/28/19/70/569281970.db2.gz COWJWFKIRMTNBW-FGCOXFRFSA-N 0 0 438.641 5.157 40 0 IKABRN CCc1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc1 ZINC000017920852 569282214 /nfs/dbraw/zinc/28/22/14/569282214.db2.gz YZORGGDPVBBSOO-HJOGWXRNSA-N 0 0 446.934 5.262 40 0 IKABRN Oc1cc(-c2ccc(Br)cc2)c(O)c2c1C1c3ccccc3C2c2ccccc21 ZINC000261828071 569282330 /nfs/dbraw/zinc/28/23/30/569282330.db2.gz AASOJMDITGCZSX-UHFFFAOYSA-N 0 0 441.324 6.515 40 0 IKABRN CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253623358 569284447 /nfs/dbraw/zinc/28/44/47/569284447.db2.gz MJVCJGGOYKSADY-QHLQNQHSSA-N 0 0 430.673 5.640 40 0 biogenic IKABRN FC(F)(F)Oc1ccccc1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000328958965 569285082 /nfs/dbraw/zinc/28/50/82/569285082.db2.gz ARLWFDFDNPSSML-UHFFFAOYSA-N 0 0 428.458 5.374 40 0 IKABRN Cc1cc(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)ccc1Br ZINC000328969091 569285126 /nfs/dbraw/zinc/28/51/26/569285126.db2.gz DCWHOYIUFSMZMG-FQEVSTJZSA-N 0 0 441.373 5.387 40 0 IKABRN CC[C@@H](C)Nc1nc(Nc2cc(C)cc(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328965287 569285122 /nfs/dbraw/zinc/28/51/22/569285122.db2.gz CCTLZBFEPZASAR-MRXNPFEDSA-N 0 0 430.474 5.457 40 0 IKABRN CCc1cc(N2CCc3cc(Br)ccc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000328977629 569285152 /nfs/dbraw/zinc/28/51/52/569285152.db2.gz FUGJEUFEOHWOES-UHFFFAOYSA-N 0 0 443.776 5.761 40 0 IKABRN Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)c1 ZINC000328972147 569285176 /nfs/dbraw/zinc/28/51/76/569285176.db2.gz DUDXAZNKGIGANU-UHFFFAOYSA-N 0 0 442.485 5.161 40 0 IKABRN Cc1nc(Nc2cccc(Cl)c2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000328990377 569285242 /nfs/dbraw/zinc/28/52/42/569285242.db2.gz IORMHBNBSYSFCH-UHFFFAOYSA-N 0 0 434.849 5.643 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2ccc(F)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328991176 569285251 /nfs/dbraw/zinc/28/52/51/569285251.db2.gz IRZALHRHLQYHBG-LBPRGKRZSA-N 0 0 438.400 5.118 40 0 IKABRN FC(F)(F)Sc1cccc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)c1 ZINC000329003870 569285258 /nfs/dbraw/zinc/28/52/58/569285258.db2.gz KOSHBBVCXJVYHY-UHFFFAOYSA-N 0 0 436.425 5.439 40 0 IKABRN CC[C@@H](C)Nc1nc(Nc2c(C)cccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328995887 569285271 /nfs/dbraw/zinc/28/52/71/569285271.db2.gz JIXDYTUNUVLDGB-MRXNPFEDSA-N 0 0 430.474 5.457 40 0 IKABRN Oc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c1 ZINC000328995116 569285274 /nfs/dbraw/zinc/28/52/74/569285274.db2.gz JGCGNSRLSJDZBE-UHFFFAOYSA-N 0 0 444.457 5.080 40 0 IKABRN CCc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000328987663 569285286 /nfs/dbraw/zinc/28/52/86/569285286.db2.gz IDFAFXZEFAZNDS-UHFFFAOYSA-N 0 0 428.458 5.075 40 0 IKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000329005730 569285291 /nfs/dbraw/zinc/28/52/91/569285291.db2.gz KYSGYTFLTXWWOK-UHFFFAOYSA-N 0 0 433.865 5.153 40 0 IKABRN CC[C@@H](C)Nc1nc(Nc2c(C)cc(C)cc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328989046 569285293 /nfs/dbraw/zinc/28/52/93/569285293.db2.gz IIBMNENHLZPPJY-QGZVFWFLSA-N 0 0 444.501 5.765 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2c(C)cc(C)cc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328989042 569285294 /nfs/dbraw/zinc/28/52/94/569285294.db2.gz IIBMNENHLZPPJY-KRWDZBQOSA-N 0 0 444.501 5.765 40 0 IKABRN FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C3CC3)n1)C2 ZINC000328992524 569285303 /nfs/dbraw/zinc/28/53/03/569285303.db2.gz IWISTKILVVBOOZ-UHFFFAOYSA-N 0 0 426.442 5.559 40 0 IKABRN FC(F)(F)Oc1cccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c1 ZINC000328984902 569285316 /nfs/dbraw/zinc/28/53/16/569285316.db2.gz HQJXDXFFAGDFFH-UHFFFAOYSA-N 0 0 428.458 5.374 40 0 IKABRN COc1cc2c(cc1OC)CN(c1cc(Nc3cccc(Cl)c3)nc(C(C)C)n1)CC2 ZINC000329014344 569285353 /nfs/dbraw/zinc/28/53/53/569285353.db2.gz MUSXAEZLYPJULN-UHFFFAOYSA-N 0 0 438.959 5.577 40 0 IKABRN FC(F)(F)c1cc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)ccc1Cl ZINC000329022641 569285413 /nfs/dbraw/zinc/28/54/13/569285413.db2.gz OOIZSWRFWXBLMS-UHFFFAOYSA-N 0 0 447.892 5.543 40 0 IKABRN CC(C)c1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000329031203 569285425 /nfs/dbraw/zinc/28/54/25/569285425.db2.gz QHODKPDEAOPZRA-UHFFFAOYSA-N 0 0 436.987 5.787 40 0 IKABRN CC(C)Nc1nc(Nc2cc(Cl)ccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329051474 569285537 /nfs/dbraw/zinc/28/55/37/569285537.db2.gz UXYGKVGBXIJXGA-UHFFFAOYSA-N 0 0 440.828 5.242 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329056659 569285558 /nfs/dbraw/zinc/28/55/58/569285558.db2.gz VSYYQFYJESCMSD-LBPRGKRZSA-N 0 0 438.400 5.118 40 0 IKABRN Cc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329044243 569285561 /nfs/dbraw/zinc/28/55/61/569285561.db2.gz SVNKGJJQHFRMDJ-UHFFFAOYSA-N 0 0 428.458 5.293 40 0 IKABRN CCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329036054 569285564 /nfs/dbraw/zinc/28/55/64/569285564.db2.gz RHWQNAICNOBRMM-UHFFFAOYSA-N 0 0 426.364 5.200 40 0 IKABRN Fc1ccc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)c(Br)c1 ZINC000329063325 569285586 /nfs/dbraw/zinc/28/55/86/569285586.db2.gz XCQGMHBFOAHTAM-UHFFFAOYSA-N 0 0 446.629 5.883 40 0 IKABRN Cc1c(F)cccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329037941 569285613 /nfs/dbraw/zinc/28/56/13/569285613.db2.gz RPTGUXNLDJLUNX-UHFFFAOYSA-N 0 0 446.448 5.432 40 0 IKABRN CC[C@@H](C)Nc1nc(Nc2cccc(F)c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329037550 569285618 /nfs/dbraw/zinc/28/56/18/569285618.db2.gz RORRLKOWJVSZRK-CYBMUJFWSA-N 0 0 434.437 5.288 40 0 IKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000329071569 569285657 /nfs/dbraw/zinc/28/56/57/569285657.db2.gz ZQZPVHHNCRJQBK-UHFFFAOYSA-N 0 0 433.865 5.153 40 0 IKABRN FC(F)(F)c1cc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)ccc1Cl ZINC000329071175 569285705 /nfs/dbraw/zinc/28/57/05/569285705.db2.gz ZNIHYUROJMXUIG-UHFFFAOYSA-N 0 0 433.865 5.153 40 0 IKABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1 ZINC000329069007 569285715 /nfs/dbraw/zinc/28/57/15/569285715.db2.gz YUCMDKRYWZLZML-UHFFFAOYSA-N 0 0 437.385 5.465 40 0 IKABRN FC(F)(F)c1ccc(-c2nc(Cl)cc(NCc3ccccc3Br)n2)cc1 ZINC000329066578 569285724 /nfs/dbraw/zinc/28/57/24/569285724.db2.gz YBGNCNVXBIODPX-UHFFFAOYSA-N 0 0 442.666 5.612 40 0 IKABRN FC(F)(F)c1cccc(Cl)c1Nc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000329071639 569285749 /nfs/dbraw/zinc/28/57/49/569285749.db2.gz ZRZWQAIPHVHRQY-UHFFFAOYSA-N 0 0 447.892 5.543 40 0 IKABRN COc1cc(/C=C/C(=O)OC(C)C)cc(Br)c1OCc1ccccc1Cl ZINC000062715918 569288732 /nfs/dbraw/zinc/28/87/32/569288732.db2.gz HYOSOATVCWIODM-CMDGGOBGSA-N 0 0 439.733 5.655 40 0 IKABRN Cc1ccc2sc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cccs4)cc3)nc2c1 ZINC000008816052 569290787 /nfs/dbraw/zinc/29/07/87/569290787.db2.gz SSZGUOJBZBTMDG-IBGZPJMESA-N 0 0 447.585 5.577 40 0 IKABRN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)C[C@@H](O)[C@H]2[C@@H]1c1ccccc1OC ZINC000008837860 569291146 /nfs/dbraw/zinc/29/11/46/569291146.db2.gz ASEVQPKUGBNXIJ-NPAAKHOSSA-N 0 0 448.607 6.233 40 0 IKABRN O=c1oc2ccccc2cc1C1=Nc2ccccc2N[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000008863727 569291549 /nfs/dbraw/zinc/29/15/49/569291549.db2.gz QYDJEDKLYIFGMR-NRFANRHFSA-N 0 0 435.310 6.778 40 0 IKABRN O=c1oc2ccccc2cc1C1=Nc2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000008863729 569291568 /nfs/dbraw/zinc/29/15/68/569291568.db2.gz QYDJEDKLYIFGMR-OAQYLSRUSA-N 0 0 435.310 6.778 40 0 IKABRN CC[C@H](C)c1ccc(-n2c3nnc(SCc4cc(C)on4)n3c3ccccc3c2=O)cc1 ZINC000009127234 569293962 /nfs/dbraw/zinc/29/39/62/569293962.db2.gz FXKZVXXSDPTZCC-HNNXBMFYSA-N 0 0 445.548 5.136 40 0 IKABRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1=O ZINC000009304730 569295299 /nfs/dbraw/zinc/29/52/99/569295299.db2.gz LNTRJTHXPKASLK-GVAUOCQISA-N 0 0 440.543 5.344 40 0 IKABRN Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000009319144 569295426 /nfs/dbraw/zinc/29/54/26/569295426.db2.gz MCAJYCWBANOJCU-XWGVYQGASA-N 0 0 446.934 5.316 40 0 IKABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009358280 569295816 /nfs/dbraw/zinc/29/58/16/569295816.db2.gz IBKYNEFOMSOAHD-HBMCJLEFSA-N 0 0 439.298 5.045 40 0 IKABRN Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1=O ZINC000009459791 569296416 /nfs/dbraw/zinc/29/64/16/569296416.db2.gz DNRSHPPENRRNNQ-WWNPGLIZSA-N 0 0 432.907 5.008 40 0 IKABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](OC)CC(=O)O3)[C@H]21 ZINC000065748722 569297097 /nfs/dbraw/zinc/29/70/97/569297097.db2.gz OLSYISKGDWQZSZ-RVTXAWHXSA-N 0 0 432.601 5.240 40 0 in-vitro IKABRN CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070687375 569315468 /nfs/dbraw/zinc/31/54/68/569315468.db2.gz MJVCJGGOYKSADY-AZKLTKATSA-N 0 0 430.673 5.640 40 0 biogenic IKABRN c1ccc(N[C@@H]([C@@H](Nc2ccccc2)n2nnc3ccccc32)n2nnc3ccccc32)cc1 ZINC000018322955 569316285 /nfs/dbraw/zinc/31/62/85/569316285.db2.gz SPFMPCBCDSGWKT-WMPKNSHKSA-N 0 0 446.518 5.098 40 0 IKABRN CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)n1 ZINC000019694233 569326633 /nfs/dbraw/zinc/32/66/33/569326633.db2.gz ZKOKIJONMJTXHG-JOCHJYFZSA-N 0 0 446.570 5.078 40 0 IKABRN Cc1nnc2n1C[C@@H](c1cccc(C(=O)NCc3cccc(Oc4ccccc4)c3)c1)CC2 ZINC000019698228 569326911 /nfs/dbraw/zinc/32/69/11/569326911.db2.gz MWKKOBATRCKJNF-QHCPKHFHSA-N 0 0 438.531 5.039 40 0 IKABRN Cc1nc([C@@H]2CCCCN2Cc2ccc(F)cc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019703732 569327235 /nfs/dbraw/zinc/32/72/35/569327235.db2.gz NFIUWGSJXKLXQO-DEOSSOPVSA-N 0 0 444.554 5.131 40 0 IKABRN Cc1ccc(/C=C2/SC(=O)N([C@@H](N3CCCCC3)C(Cl)(Cl)Cl)C2=O)cc1 ZINC000020266045 569358670 /nfs/dbraw/zinc/35/86/70/569358670.db2.gz BAKFGHKRERNNBA-WSYSLRRZSA-N 0 0 433.788 5.214 40 0 IKABRN Cc1ccccc1Cn1c2c(-c3ccc(F)cc3)sc(=S)n2c2ccccc2c1=O ZINC000020378418 569362408 /nfs/dbraw/zinc/36/24/08/569362408.db2.gz QIPVRLJOYACREH-UHFFFAOYSA-N 0 0 432.545 6.208 40 0 IKABRN Cc1ccc(Cn2c3c(-c4ccc(Cl)cc4)sc(=S)n3c3ccccc3c2=O)cc1 ZINC000020378370 569362409 /nfs/dbraw/zinc/36/24/09/569362409.db2.gz HQTXBVJIJGQLIK-UHFFFAOYSA-N 0 0 449.000 6.722 40 0 IKABRN Cc1c2ccccc2oc1-c1nnc2sc(C=C(c3ccccc3)c3ccccc3)nn21 ZINC000096194391 569386185 /nfs/dbraw/zinc/38/61/85/569386185.db2.gz FKXUMLJEMYDQAT-UHFFFAOYSA-N 0 0 434.524 6.496 40 0 IKABRN Cc1c2ccccc2oc1-c1nnc2sc(CC(c3ccccc3)c3ccccc3)nn21 ZINC000096194292 569386194 /nfs/dbraw/zinc/38/61/94/569386194.db2.gz FZGQYEJJJVFZTA-UHFFFAOYSA-N 0 0 436.540 6.282 40 0 IKABRN O=C(CCCCCN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000096194483 569386280 /nfs/dbraw/zinc/38/62/80/569386280.db2.gz LEOHDNSDWNZMBY-UHFFFAOYSA-N 0 0 440.543 5.072 40 0 IKABRN C[C@]1([C@@H]2Cc3ccccc3C(=O)O2)Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000096306120 569392147 /nfs/dbraw/zinc/39/21/47/569392147.db2.gz AMQREPVATSAXGL-YTMVLYRLSA-N 0 0 447.534 5.919 40 0 IKABRN C[C@@]1([C@@H]2Cc3ccccc3C(=O)O2)Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000096306121 569392169 /nfs/dbraw/zinc/39/21/69/569392169.db2.gz AMQREPVATSAXGL-LMSSTIIKSA-N 0 0 447.534 5.919 40 0 IKABRN C[C@]1([C@H]2Cc3ccccc3C(=O)O2)Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000096306122 569392199 /nfs/dbraw/zinc/39/21/99/569392199.db2.gz AMQREPVATSAXGL-PXJZQJOASA-N 0 0 447.534 5.919 40 0 IKABRN O=C(c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CCCCCC1 ZINC000002474673 569404423 /nfs/dbraw/zinc/40/44/23/569404423.db2.gz NNYZHYNXLTWYPL-CABCVRRESA-N 0 0 426.870 5.213 40 0 IKABRN COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1ccccc1C(C)C ZINC000028284495 569409569 /nfs/dbraw/zinc/40/95/69/569409569.db2.gz XCOBVRUDPRYLCK-UHFFFAOYSA-N 0 0 439.533 5.351 40 0 IKABRN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1cc(C(C)=O)ccc1OC ZINC000028296489 569409700 /nfs/dbraw/zinc/40/97/00/569409700.db2.gz PNWSTAGPLIPUNE-UHFFFAOYSA-N 0 0 432.398 5.385 40 0 IKABRN CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000028527176 569410559 /nfs/dbraw/zinc/41/05/59/569410559.db2.gz BITMWSWZCWYRSI-UHFFFAOYSA-N 0 0 439.947 5.295 40 0 IKABRN Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000028527496 569410645 /nfs/dbraw/zinc/41/06/45/569410645.db2.gz QNDQIYJUVURKSI-UHFFFAOYSA-N 0 0 444.366 5.858 40 0 IKABRN COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(Cl)c2C)c1 ZINC000028534822 569410934 /nfs/dbraw/zinc/41/09/34/569410934.db2.gz BFTRCPYCSPOVJD-UHFFFAOYSA-N 0 0 439.947 5.214 40 0 IKABRN Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1C(=O)c1cccs1 ZINC000028535405 569410963 /nfs/dbraw/zinc/41/09/63/569410963.db2.gz TVAXMOITFIOIFU-UHFFFAOYSA-N 0 0 430.316 5.533 40 0 IKABRN CCCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)c2C(=O)OC)cc1 ZINC000002889663 569424358 /nfs/dbraw/zinc/42/43/58/569424358.db2.gz DYQHEVADHAPOEG-UHFFFAOYSA-N 0 0 429.925 5.896 40 0 IKABRN CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)C1 ZINC000227056192 569431483 /nfs/dbraw/zinc/43/14/83/569431483.db2.gz KWLHNLSVNFCTMO-CVBYOTHMSA-N 0 0 425.956 5.106 40 0 IKABRN Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc(OCc4ccccc4)cc3)nn21 ZINC000227143145 569431549 /nfs/dbraw/zinc/43/15/49/569431549.db2.gz OGLLULMUIJPYSF-UHFFFAOYSA-N 0 0 438.516 5.055 40 0 IKABRN Cc1ccc(Nc2nc(N(c3ccccc3)c3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000003043150 569438519 /nfs/dbraw/zinc/43/85/19/569438519.db2.gz IHQMVTZLVXRFTF-UHFFFAOYSA-N 0 0 436.563 6.384 40 0 IKABRN O=C(C[C@@H](Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000003068007 569439789 /nfs/dbraw/zinc/43/97/89/569439789.db2.gz CHVYOAYQRNFOKD-HXUWFJFHSA-N 0 0 449.175 7.182 40 0 IKABRN O=C(C[C@H](Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000003068006 569439809 /nfs/dbraw/zinc/43/98/09/569439809.db2.gz CHVYOAYQRNFOKD-FQEVSTJZSA-N 0 0 449.175 7.182 40 0 IKABRN O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000003106844 569440294 /nfs/dbraw/zinc/44/02/94/569440294.db2.gz ZJHWUEYNXOYDMU-AWEZNQCLSA-N 0 0 446.976 6.185 40 0 IKABRN O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000003106843 569440321 /nfs/dbraw/zinc/44/03/21/569440321.db2.gz ZJHWUEYNXOYDMU-CQSZACIVSA-N 0 0 446.976 6.185 40 0 IKABRN CC(C)Sc1nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2s1 ZINC000003107041 569440332 /nfs/dbraw/zinc/44/03/32/569440332.db2.gz LJFPBVKKEKOJPT-UHFFFAOYSA-N 0 0 427.378 6.121 40 0 IKABRN Ic1ccccc1C1N(c2ccccc2)CCN1c1ccccc1 ZINC000003126782 569440630 /nfs/dbraw/zinc/44/06/30/569440630.db2.gz QUNQJARMEGVTTB-UHFFFAOYSA-N 0 0 426.301 5.317 40 0 IKABRN Cc1ccccc1Oc1cc(Oc2ccccc2C)cc(N2C(=O)c3ccccc3C2=O)c1 ZINC000003146088 569440911 /nfs/dbraw/zinc/44/09/11/569440911.db2.gz MBQUYZRRTHMOTE-UHFFFAOYSA-N 0 0 435.479 6.689 40 0 IKABRN O=C(c1ccccc1)c1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1 ZINC000003171834 569441211 /nfs/dbraw/zinc/44/12/11/569441211.db2.gz LEVXACYCGIKDER-UHFFFAOYSA-N 0 0 439.514 6.878 40 0 IKABRN COc1cc(/C=C/C(=O)N2CCC[C@@H]3CCC[C@@H](C)[C@@H]32)ccc1OCc1c(C)noc1C ZINC000057991505 569444290 /nfs/dbraw/zinc/44/42/90/569444290.db2.gz SWKLBDWPNPBGNR-ZHEJOGCNSA-N 0 0 438.568 5.319 40 0 IKABRN O=C(Nc1ccccc1-c1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000003324118 569446161 /nfs/dbraw/zinc/44/61/61/569446161.db2.gz QONNFOGPMHGNOI-UHFFFAOYSA-N 0 0 434.926 7.475 40 0 IKABRN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000004073920 569458648 /nfs/dbraw/zinc/45/86/48/569458648.db2.gz BZNIIOGSANMIET-LTPUILILSA-N 0 0 442.728 7.238 40 0 biogenic IKABRN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000004073918 569458676 /nfs/dbraw/zinc/45/86/76/569458676.db2.gz BZNIIOGSANMIET-XOZCFOERSA-N 0 0 442.728 7.238 40 0 biogenic IKABRN CC(=O)OC(C)(C)C(=O)CC/C(C)=C/CC/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000008878577 569481293 /nfs/dbraw/zinc/48/12/93/569481293.db2.gz FVTRTSUTOCAZPJ-GZDKYGJJSA-N 0 0 440.536 5.536 40 0 biogenic IKABRN CCOc1cc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc(OCC)c1OCC ZINC000009030210 569497049 /nfs/dbraw/zinc/49/70/49/569497049.db2.gz CEANZPNXGGHAIM-UHFFFAOYSA-N 0 0 432.826 5.202 40 0 IKABRN COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)N1CCOCC1 ZINC000015441152 569515726 /nfs/dbraw/zinc/51/57/26/569515726.db2.gz UEOLLPLCBQJTLR-QHCPKHFHSA-N 0 0 436.577 5.047 40 0 IKABRN Cc1cccc(Cn2c3ccccc3nc2SCC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000041076829 569526532 /nfs/dbraw/zinc/52/65/32/569526532.db2.gz UAGVTEVUEYAILV-UHFFFAOYSA-N 0 0 429.589 6.247 40 0 IKABRN CCCOc1c(Br)cc(CNc2ccc(Br)cc2C)cc1OC ZINC000390470066 569532482 /nfs/dbraw/zinc/53/24/82/569532482.db2.gz BGRCTIWUQNJJOZ-UHFFFAOYSA-N 0 0 443.179 5.930 40 0 IKABRN CC(C)(C)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329069095 569582918 /nfs/dbraw/zinc/58/29/18/569582918.db2.gz YUWNCNZQHARLLT-UHFFFAOYSA-N 0 0 434.437 6.004 40 0 IKABRN FC(F)(F)Oc1ccc(Nc2cc(Cl)nc(-c3cccnc3)n2)cc1Br ZINC000328956484 569582941 /nfs/dbraw/zinc/58/29/41/569582941.db2.gz AGIQSXMHUSKMKW-UHFFFAOYSA-N 0 0 445.626 5.597 40 0 IKABRN FC(F)(F)Oc1ccc(Nc2cc(Cl)nc(-c3ccccc3)n2)cc1Br ZINC000329068341 569582953 /nfs/dbraw/zinc/58/29/53/569582953.db2.gz YPUIBDNVHPLMOY-UHFFFAOYSA-N 0 0 444.638 6.202 40 0 IKABRN CC(C)(C)Nc1nc(Nc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329005942 569583025 /nfs/dbraw/zinc/58/30/25/569583025.db2.gz LAXRGFLPNPQSIS-UHFFFAOYSA-N 0 0 436.865 6.650 40 0 IKABRN Cc1c(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)cccc1C(F)(F)F ZINC000328980358 569583133 /nfs/dbraw/zinc/58/31/33/569583133.db2.gz GLLBXQDTTROPLY-FQEVSTJZSA-N 0 0 430.474 5.643 40 0 IKABRN Cc1cc(C)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)c(C)c1 ZINC000329055525 569583219 /nfs/dbraw/zinc/58/32/19/569583219.db2.gz VPBUKDQQSWACNT-UHFFFAOYSA-N 0 0 444.501 6.921 40 0 IKABRN Cc1cc(Br)ccc1Nc1cc(C(F)(F)F)nc(NC2CCCCC2)n1 ZINC000328993761 569583226 /nfs/dbraw/zinc/58/32/26/569583226.db2.gz JBEHXMISNPENMG-UHFFFAOYSA-N 0 0 429.284 6.055 40 0 IKABRN CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(Nc2ccccc2)n1 ZINC000329003902 569583438 /nfs/dbraw/zinc/58/34/38/569583438.db2.gz KPEXYBVAJPVAOI-UHFFFAOYSA-N 0 0 428.458 5.805 40 0 IKABRN O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000001839012 569583501 /nfs/dbraw/zinc/58/35/01/569583501.db2.gz MKAYWUYQKXLJDE-UHFFFAOYSA-N 0 0 437.521 5.141 40 0 IKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(OC)cc3s2)c1 ZINC000032127816 569583633 /nfs/dbraw/zinc/58/36/33/569583633.db2.gz ZUXUEJIUFKWQAC-UHFFFAOYSA-N 0 0 449.985 5.264 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccccc3Cl)sc2c1 ZINC000032118725 569583643 /nfs/dbraw/zinc/58/36/43/569583643.db2.gz HQCIXBGPAMXKJA-UHFFFAOYSA-N 0 0 433.986 5.184 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(OCCC)c3)sc2c1 ZINC000032119027 569583698 /nfs/dbraw/zinc/58/36/98/569583698.db2.gz AHGFYUUYHGIQDO-UHFFFAOYSA-N 0 0 427.595 5.555 40 0 IKABRN CCCOc1cccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)c1 ZINC000032127428 569583836 /nfs/dbraw/zinc/58/38/36/569583836.db2.gz VHKXPAUVASGNAW-UHFFFAOYSA-N 0 0 440.377 5.519 40 0 IKABRN Cc1cc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)ccc1Br ZINC000328969026 569583949 /nfs/dbraw/zinc/58/39/49/569583949.db2.gz DCBIHUOQVHYBOR-UHFFFAOYSA-N 0 0 438.373 6.098 40 0 IKABRN CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329008489 569584008 /nfs/dbraw/zinc/58/40/08/569584008.db2.gz LREDLQPNWNEWNP-UHFFFAOYSA-N 0 0 442.363 6.236 40 0 IKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000329015331 569584034 /nfs/dbraw/zinc/58/40/34/569584034.db2.gz NAHMCDVFUUHSPI-UHFFFAOYSA-N 0 0 429.446 5.844 40 0 IKABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329066910 569584094 /nfs/dbraw/zinc/58/40/94/569584094.db2.gz YEPVMEYPJDQCCP-HXUWFJFHSA-N 0 0 430.474 5.643 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000032126987 569584188 /nfs/dbraw/zinc/58/41/88/569584188.db2.gz DONZGYGFVIEAJE-UHFFFAOYSA-N 0 0 426.350 5.047 40 0 IKABRN Cc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)c1C ZINC000329019794 569584400 /nfs/dbraw/zinc/58/44/00/569584400.db2.gz NXWJBQFPISUTNA-UHFFFAOYSA-N 0 0 430.474 6.613 40 0 IKABRN COc1cc2sc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)nc2cc1Cl ZINC000032126646 569584452 /nfs/dbraw/zinc/58/44/52/569584452.db2.gz OMXKFHSXSCNKRE-UHFFFAOYSA-N 0 0 446.768 5.392 40 0 IKABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000022528703 569584762 /nfs/dbraw/zinc/58/47/62/569584762.db2.gz PTMLRNKCFLVZTF-UHFFFAOYSA-N 0 0 449.557 5.107 40 0 IKABRN CCc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)(C)C)n1 ZINC000329016417 569584860 /nfs/dbraw/zinc/58/48/60/569584860.db2.gz NGCGWKDVRUEFEQ-UHFFFAOYSA-N 0 0 444.501 6.867 40 0 IKABRN CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118913877 291395677 /nfs/dbraw/zinc/39/56/77/291395677.db2.gz KSPIGVXMBWTYCY-SJQQJJQDSA-N 0 0 429.733 7.612 40 0 biogenic,in-vitro IKABRN CC(=O)OCC(=O)C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004104895 291395684 /nfs/dbraw/zinc/39/56/84/291395684.db2.gz JSVYRMIOVGLIBW-VOCLXHTQSA-N 0 0 432.601 5.099 40 0 biogenic,in-vitro IKABRN CC1(C)CC[C@]23CO[C@H]1[C@H]2[C@H]1CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]2(C)[C@]1(C)CC3 ZINC000004903516 291397785 /nfs/dbraw/zinc/39/77/85/291397785.db2.gz XGDVSJLOTVQNKY-KDEVIXCCSA-N 0 0 440.712 7.446 40 0 IKABRN CCCCO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000005792871 291403560 /nfs/dbraw/zinc/40/35/60/291403560.db2.gz RNIJCNIWUSGVHJ-DEZGFPEKSA-N 0 0 442.772 9.213 40 0 biogenic,in-vitro IKABRN COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNc4ccccn4)C=C3C)o2)cc1 ZINC000030883332 291406481 /nfs/dbraw/zinc/40/64/81/291406481.db2.gz GVODQICXKIBFIW-FUDKSRODSA-N 0 0 432.568 5.649 40 0 biogenic,in-vitro IKABRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@H]1C=C[C@@H](OC(=O)N[C@H](C)c2ccccc2)C1 ZINC000008624079 291410056 /nfs/dbraw/zinc/41/00/56/291410056.db2.gz HBIPYUGMVCEIFV-FRGLQRNOSA-N 0 0 449.982 6.350 40 0 biogenic,in-vitro IKABRN CCc1ccc2nc(SCC(=O)N(C)c3nc(-c4ccccc4)cs3)c(C)cc2c1 ZINC000006135380 193880711 /nfs/dbraw/zinc/88/07/11/193880711.db2.gz JKJYIRUNESVZMZ-UHFFFAOYSA-N 0 0 433.602 5.984 40 0 IKABRN CC(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2ccccc2c1=O ZINC000006190532 193889227 /nfs/dbraw/zinc/88/92/27/193889227.db2.gz BRQALNOCDWVUFL-UHFFFAOYSA-N 0 0 436.364 5.090 40 0 IKABRN Cc1ccc(NC(=S)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)c(C)c1 ZINC000006195400 193890594 /nfs/dbraw/zinc/89/05/94/193890594.db2.gz VSNNCDHDQXGQIQ-UHFFFAOYSA-N 0 0 449.576 5.015 40 0 IKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NC3CCCCC3)cc2c1 ZINC000006197821 193891361 /nfs/dbraw/zinc/89/13/61/193891361.db2.gz VLRIBXUTYXHGNP-UHFFFAOYSA-N 0 0 433.621 5.300 40 0 IKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000096234449 193939873 /nfs/dbraw/zinc/93/98/73/193939873.db2.gz JJPUHLUMBWPLRI-KRWDZBQOSA-N 0 0 436.364 5.573 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 ZINC000223220832 193953667 /nfs/dbraw/zinc/95/36/67/193953667.db2.gz PDEGRWKRBAQDSZ-QHCPKHFHSA-N 0 0 440.653 5.259 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223329741 193967390 /nfs/dbraw/zinc/96/73/90/193967390.db2.gz LBYIEAGLEXNHNK-KRWDZBQOSA-N 0 0 435.395 5.178 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223328670 193967394 /nfs/dbraw/zinc/96/73/94/193967394.db2.gz QMUQCDOPKAGYCN-HNNXBMFYSA-N 0 0 439.358 5.009 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223282644 193962029 /nfs/dbraw/zinc/96/20/29/193962029.db2.gz QVYSFIRXRMLPGA-OAHLLOKOSA-N 0 0 439.358 5.009 40 0 IKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1C(C)C ZINC000223327780 193966985 /nfs/dbraw/zinc/96/69/85/193966985.db2.gz DXGOJDOLDOOQQX-QGZVFWFLSA-N 0 0 448.401 5.763 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc21 ZINC000223302108 193964478 /nfs/dbraw/zinc/96/44/78/193964478.db2.gz CLFYLNFNUNSYAJ-XMMPIXPASA-N 0 0 446.591 5.249 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223329830 193967225 /nfs/dbraw/zinc/96/72/25/193967225.db2.gz ATOQJNUZLLZQLB-GOSISDBHSA-N 0 0 449.422 5.486 40 0 IKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1C(C)C ZINC000223313920 193965735 /nfs/dbraw/zinc/96/57/35/193965735.db2.gz LOLSPBTZUAUCJQ-FQEVSTJZSA-N 0 0 433.617 6.910 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 ZINC000223330582 193967707 /nfs/dbraw/zinc/96/77/07/193967707.db2.gz GTOXHRJUZWPTDF-LJQANCHMSA-N 0 0 439.408 5.029 40 0 IKABRN CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223354616 193970475 /nfs/dbraw/zinc/97/04/75/193970475.db2.gz IHGHTEDRBXGBTK-MHZLTWQESA-N 0 0 428.576 5.162 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C ZINC000223358004 193970727 /nfs/dbraw/zinc/97/07/27/193970727.db2.gz OGVAKSURSUJATP-NRFANRHFSA-N 0 0 445.003 5.058 40 0 IKABRN CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223357874 193970784 /nfs/dbraw/zinc/97/07/84/193970784.db2.gz LOWMNKVKUAWSMO-RPWUZVMVSA-N 0 0 444.560 5.037 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223359815 193971015 /nfs/dbraw/zinc/97/10/15/193971015.db2.gz DNPPQIHGYQMSLB-QFIPXVFZSA-N 0 0 429.004 5.221 40 0 IKABRN Fc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl ZINC000408603164 193972650 /nfs/dbraw/zinc/97/26/50/193972650.db2.gz BCECGPKLNWGPJE-UHFFFAOYSA-N 0 0 445.148 7.630 40 0 IKABRN Cc1ccc(NC(=O)COc2cccc(CNc3ccc(Br)cc3C)c2)cc1 ZINC000408611856 193978527 /nfs/dbraw/zinc/97/85/27/193978527.db2.gz RWHWWVXFIAUFNS-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN Clc1ccc(NCc2ccccc2OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408613582 193979773 /nfs/dbraw/zinc/97/97/73/193979773.db2.gz YLHLAAAPRXOWEZ-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cc2c(ccc3ccccc23)o1 ZINC000408616539 193982359 /nfs/dbraw/zinc/98/23/59/193982359.db2.gz AGRHRHXOWVTTJD-UHFFFAOYSA-N 0 0 430.356 6.556 40 0 IKABRN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000918304 132234131 /nfs/dbraw/zinc/23/41/31/132234131.db2.gz OOQHCHRXDFMUNN-LBPRGKRZSA-N 0 0 444.388 5.129 40 0 IKABRN COc1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C(=O)C2(Cl)Cl)cc1 ZINC000001584234 132245874 /nfs/dbraw/zinc/24/58/74/132245874.db2.gz YBWYFVVHSPQRSV-UHFFFAOYSA-N 0 0 431.102 5.046 40 0 IKABRN CN[P@](=O)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2C)CC1 ZINC000008617783 132288886 /nfs/dbraw/zinc/28/88/86/132288886.db2.gz CMHPBWSNDXVJQX-MHZLTWQESA-N 0 0 448.718 5.484 40 0 IKABRN S=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000009876716 132330762 /nfs/dbraw/zinc/33/07/62/132330762.db2.gz YWXZXPLPLHXGHI-UHFFFAOYSA-N 0 0 435.207 5.819 40 0 IKABRN CCCCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000011565898 132338032 /nfs/dbraw/zinc/33/80/32/132338032.db2.gz KNWUFIFROHUOCH-UHFFFAOYSA-N 0 0 444.641 5.117 40 0 IKABRN Cc1cccc(N2CCN(C(=O)c3cc4sccc4n3Cc3ccccc3)CC2)c1C ZINC000013083050 132344213 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ZINC000020610512 520870680 /nfs/dbraw/zinc/87/06/80/520870680.db2.gz KOWDXYVMDIKGQF-UHFFFAOYSA-N 0 0 428.536 5.975 40 0 IKABRN CCCCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Br)cc32)cc1 ZINC000012487098 520872897 /nfs/dbraw/zinc/87/28/97/520872897.db2.gz PYLNFHNPMRVYIP-UHFFFAOYSA-N 0 0 448.364 6.062 40 0 IKABRN CCCCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3c4ccccc4ccc32)cc1 ZINC000012485220 520873305 /nfs/dbraw/zinc/87/33/05/520873305.db2.gz YTRKROOZSZEJGF-UHFFFAOYSA-N 0 0 449.554 6.461 40 0 IKABRN CCCCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Br)cc32)cc1 ZINC000012485152 520873833 /nfs/dbraw/zinc/87/38/33/520873833.db2.gz FZXJZYUWCYIEGI-UHFFFAOYSA-N 0 0 449.352 5.457 40 0 IKABRN CC1=C[C@@H](CNC(=O)Nc2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442799 520880926 /nfs/dbraw/zinc/88/09/26/520880926.db2.gz NGIDFQFBAZNMCF-FUDKSRODSA-N 0 0 445.567 5.350 40 0 biogenic,in-vitro IKABRN CCCCOc1ccc([C@@H]2C(C(=O)OCC)C(C)=Nc3nc4ccccc4n32)cc1OCC ZINC000020672339 520895480 /nfs/dbraw/zinc/89/54/80/520895480.db2.gz NNKQHBUKBTXYAI-XMMPIXPASA-N 0 0 449.551 5.466 40 0 IKABRN CCCCOc1ccc([C@H]2C(C(=O)OC)C(C)=Nc3nc4ccccc4n32)cc1OCC ZINC000020672355 520897042 /nfs/dbraw/zinc/89/70/42/520897042.db2.gz XAYWVPAXYFLXSW-QHCPKHFHSA-N 0 0 435.524 5.076 40 0 IKABRN CCCCOc1ccc([C@H]2C(C(=O)OCC)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000020633483 520897516 /nfs/dbraw/zinc/89/75/16/520897516.db2.gz VPCFFWFWBASHCN-QHCPKHFHSA-N 0 0 435.524 5.076 40 0 IKABRN CCCCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000015015931 520899127 /nfs/dbraw/zinc/89/91/27/520899127.db2.gz WQIAPOZBZNCNRY-QHCPKHFHSA-N 0 0 444.560 6.096 40 0 IKABRN CCCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020610518 520899961 /nfs/dbraw/zinc/89/99/61/520899961.db2.gz AWUTXRFIRTZZBV-UHFFFAOYSA-N 0 0 428.536 5.975 40 0 IKABRN CCCCOc1cccc([C@@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)c1 ZINC000020672436 520906334 /nfs/dbraw/zinc/90/63/34/520906334.db2.gz GWMUCMMHVPWRAZ-XMMPIXPASA-N 0 0 433.552 5.847 40 0 IKABRN CCCCOc1cccc([C@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)c1 ZINC000020672439 520909628 /nfs/dbraw/zinc/90/96/28/520909628.db2.gz GWMUCMMHVPWRAZ-DEOSSOPVSA-N 0 0 433.552 5.847 40 0 IKABRN CCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(Cl)cc32)cc1OCC ZINC000012485964 520931635 /nfs/dbraw/zinc/93/16/35/520931635.db2.gz XLHAAOKPXUMBSR-UHFFFAOYSA-N 0 0 425.941 5.633 40 0 IKABRN CCOc1ccc(C2=NNC(c3ccccc3)=Nc3c4ccccc4ccc32)cc1OCC ZINC000012485996 520931694 /nfs/dbraw/zinc/93/16/94/520931694.db2.gz FLAATWFMHOGGMS-UHFFFAOYSA-N 0 0 435.527 6.071 40 0 IKABRN CCOc1ccc(C2=Nc3ccccc3C(c3ccc(-c4ccc(OC)cc4)cc3)=NN2)cc1 ZINC000012497724 520931924 /nfs/dbraw/zinc/93/19/24/520931924.db2.gz FOZHWFXZSPGYDS-UHFFFAOYSA-N 0 0 447.538 6.195 40 0 IKABRN CCOc1ccc(C2=Nc3ccc(C)cc3C(c3ccc(OCC)c(OCC)c3)=NN2)cc1 ZINC000012707458 520932112 /nfs/dbraw/zinc/93/21/12/520932112.db2.gz KNNOPEUWJLKYOG-UHFFFAOYSA-N 0 0 443.547 5.625 40 0 IKABRN CCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1OCC ZINC000022520764 520943199 /nfs/dbraw/zinc/94/31/99/520943199.db2.gz PKDMHDJUNCGKND-SFHVURJKSA-N 0 0 429.557 5.091 40 0 IKABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccc(C(C)C)cc2)cc1OCC ZINC000022072971 520956943 /nfs/dbraw/zinc/95/69/43/520956943.db2.gz DAAWJQBQHRECPB-UHFFFAOYSA-N 0 0 447.579 5.909 40 0 IKABRN CCCCSc1nnc2c(n1)O[C@H](c1cccn1C)Nc1ccc(Br)cc1-2 ZINC000015015863 520981106 /nfs/dbraw/zinc/98/11/06/520981106.db2.gz WCFVBSYEVDUIER-QGZVFWFLSA-N 0 0 446.374 5.035 40 0 IKABRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2)CC1 ZINC000016609319 521044177 /nfs/dbraw/zinc/04/41/77/521044177.db2.gz DYJZPSWWTRUJQA-UHFFFAOYSA-N 0 0 429.347 6.742 40 0 IKABRN CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(C)c2)cc1 ZINC000020970369 521051775 /nfs/dbraw/zinc/05/17/75/521051775.db2.gz FDCJUMKVODWMHX-VWLOTQADSA-N 0 0 438.531 5.671 40 0 IKABRN CCOc1ccc(NC(=O)Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)cc1 ZINC000016769196 521078385 /nfs/dbraw/zinc/07/83/85/521078385.db2.gz VIAWXVHBDKSUEA-UHFFFAOYSA-N 0 0 444.560 5.031 40 0 IKABRN CCOc1ccc(NC(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1 ZINC000012878231 521088597 /nfs/dbraw/zinc/08/85/97/521088597.db2.gz MWHFHJXROGFJSO-UHFFFAOYSA-N 0 0 442.972 5.216 40 0 IKABRN CCOc1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2Cl)cc1OCC ZINC000015966496 521222365 /nfs/dbraw/zinc/22/23/65/521222365.db2.gz WLFWXAIWNZODBG-GFCCVEGCSA-N 0 0 426.738 5.391 40 0 IKABRN CCOc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(C(C)C)cc1)=N2 ZINC000012707502 521285733 /nfs/dbraw/zinc/28/57/33/521285733.db2.gz LDBQPGXNMNMHFI-UHFFFAOYSA-N 0 0 443.547 5.660 40 0 IKABRN CCOc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(Cl)cc1)=N2 ZINC000012486138 521286333 /nfs/dbraw/zinc/28/63/33/521286333.db2.gz GJUDVGPFSAEEIX-UHFFFAOYSA-N 0 0 435.911 5.190 40 0 IKABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)cn2C ZINC000022237361 521295635 /nfs/dbraw/zinc/29/56/35/521295635.db2.gz WXYYPIHQFVKKFE-UHFFFAOYSA-N 0 0 448.906 5.635 40 0 IKABRN CCC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C(C)(C)O2 ZINC000012876086 521350248 /nfs/dbraw/zinc/35/02/48/521350248.db2.gz KFERRFRUTYAKNS-UHFFFAOYSA-N 0 0 432.923 5.102 40 0 IKABRN CCOC(=O)c1c(C)c(C(=O)CC)sc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000020572828 521384647 /nfs/dbraw/zinc/38/46/47/521384647.db2.gz MACLXJLFJRGVLK-UHFFFAOYSA-N 0 0 446.912 5.387 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(C)c1 ZINC000020453165 521514415 /nfs/dbraw/zinc/51/44/15/521514415.db2.gz DONVIGZCQVTJHD-UHFFFAOYSA-N 0 0 428.532 5.377 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000013632314 521544285 /nfs/dbraw/zinc/54/42/85/521544285.db2.gz WWOZGRLMYAZHQI-UHFFFAOYSA-N 0 0 425.937 6.061 40 0 IKABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)nn12 ZINC000020609747 521572701 /nfs/dbraw/zinc/57/27/01/521572701.db2.gz IPIWHKORJFMWDX-UHFFFAOYSA-N 0 0 432.336 5.364 40 0 IKABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)nn12 ZINC000020609634 521575063 /nfs/dbraw/zinc/57/50/63/521575063.db2.gz NKEDWLRWTXMIFG-UHFFFAOYSA-N 0 0 432.336 5.364 40 0 IKABRN CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1CSc1ccc(C)cc1 ZINC000020633620 521606060 /nfs/dbraw/zinc/60/60/60/521606060.db2.gz QEATVCSGJLWYJJ-UHFFFAOYSA-N 0 0 436.512 5.016 40 0 IKABRN CCSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000020458620 521778383 /nfs/dbraw/zinc/77/83/83/521778383.db2.gz VLWILTWKBVXHBK-UHFFFAOYSA-N 0 0 426.563 5.160 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000020488078 521778505 /nfs/dbraw/zinc/77/85/05/521778505.db2.gz LFPFGQZZKKSWNW-UHFFFAOYSA-N 0 0 426.563 5.160 40 0 IKABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000020611406 521835189 /nfs/dbraw/zinc/83/51/89/521835189.db2.gz LKUWILPZORMIKI-UHFFFAOYSA-N 0 0 437.883 5.591 40 0 IKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000016194548 521836290 /nfs/dbraw/zinc/83/62/90/521836290.db2.gz MLPZMAKJWJKBAG-DHZHZOJOSA-N 0 0 438.314 6.197 40 0 IKABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)CSc1ccccc1 ZINC000020611397 521837394 /nfs/dbraw/zinc/83/73/94/521837394.db2.gz LYBSUZARXZRGNU-UHFFFAOYSA-N 0 0 425.897 5.283 40 0 IKABRN CCc1ccccc1NC(=S)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000012877511 521908163 /nfs/dbraw/zinc/90/81/63/521908163.db2.gz WBBKHYBJRPRMKU-UHFFFAOYSA-N 0 0 426.586 5.031 40 0 IKABRN CCc1ccccc1NC(=S)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000012878292 521908608 /nfs/dbraw/zinc/90/86/08/521908608.db2.gz IDUSDWUYIJEBAN-UHFFFAOYSA-N 0 0 443.041 5.545 40 0 IKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020460307 521924185 /nfs/dbraw/zinc/92/41/85/521924185.db2.gz HCAPIFJCZCCPER-LJQANCHMSA-N 0 0 444.575 6.205 40 0 IKABRN COc1cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)ccc1OCc1ccccc1 ZINC000016214837 521966748 /nfs/dbraw/zinc/96/67/48/521966748.db2.gz CQBYOGOXAOFDBD-JLPGSUDCSA-N 0 0 435.479 5.772 40 0 IKABRN CC[C@@H](C)N(C(=O)NCCCCCCNC(=O)N([C@H](C)CC)[C@@H](C)CC)[C@H](C)CC ZINC000245231687 522034229 /nfs/dbraw/zinc/03/42/29/522034229.db2.gz IKUIGTIMDRBBOP-YSFYHYPLSA-N 0 0 426.690 5.764 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4F)c3)nc2c1 ZINC000016611255 522043497 /nfs/dbraw/zinc/04/34/97/522043497.db2.gz FICGUGZDWXHWBG-HNNXBMFYSA-N 0 0 447.535 6.274 40 0 IKABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000020452939 522047851 /nfs/dbraw/zinc/04/78/51/522047851.db2.gz ZHXSQNRVVHBEQZ-UHFFFAOYSA-N 0 0 441.574 5.016 40 0 IKABRN CC[C@@H](C)N(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022256896 522103345 /nfs/dbraw/zinc/10/33/45/522103345.db2.gz BLTXPGCUISWJCC-GOSISDBHSA-N 0 0 427.570 5.158 40 0 IKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)c1 ZINC000020611296 522269551 /nfs/dbraw/zinc/26/95/51/522269551.db2.gz AZFQFWKCNKWHSL-QGZVFWFLSA-N 0 0 430.508 5.167 40 0 IKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020610643 522269913 /nfs/dbraw/zinc/26/99/13/522269913.db2.gz CLXFGSBKJHEUFT-GOSISDBHSA-N 0 0 428.536 5.974 40 0 IKABRN COc1cc(C2=NNC(c3cccnc3)=Nc3ccccc32)ccc1OCc1ccccc1 ZINC000012707452 522307254 /nfs/dbraw/zinc/30/72/54/522307254.db2.gz FIPFCCOAOGNHDE-UHFFFAOYSA-N 0 0 434.499 5.103 40 0 IKABRN COc1cc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)ccc1OC(C)C ZINC000020456694 522413948 /nfs/dbraw/zinc/41/39/48/522413948.db2.gz QJWPVFAESVRBGZ-UHFFFAOYSA-N 0 0 428.381 5.339 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nc2c1 ZINC000016610874 522430622 /nfs/dbraw/zinc/43/06/22/522430622.db2.gz CAFSBVIKCYLGTK-OAHLLOKOSA-N 0 0 449.348 7.023 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)CC(C)C)c3)nc2c1 ZINC000001860052 522431710 /nfs/dbraw/zinc/43/17/10/522431710.db2.gz CMFWDOTVJBCNJF-CQSZACIVSA-N 0 0 444.000 6.521 40 0 IKABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000020491154 522534665 /nfs/dbraw/zinc/53/46/65/522534665.db2.gz DNBSGTDOAJINHB-QFIPXVFZSA-N 0 0 442.968 5.046 40 0 IKABRN CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C)cc1 ZINC000020493883 522536173 /nfs/dbraw/zinc/53/61/73/522536173.db2.gz VLHAEXNGHOSRCR-RPLLCQBOSA-N 0 0 444.600 5.650 40 0 IKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1cccc2ccccc21 ZINC000020672791 522714547 /nfs/dbraw/zinc/71/45/47/522714547.db2.gz OGBLLPCIEOJGLU-UHFFFAOYSA-N 0 0 441.922 5.721 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1)c1ccccc1 ZINC000020490758 522783655 /nfs/dbraw/zinc/78/36/55/522783655.db2.gz GCMABXYHEABXLK-JOCHJYFZSA-N 0 0 436.577 5.294 40 0 IKABRN CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C)cc1 ZINC000020493881 522790292 /nfs/dbraw/zinc/79/02/92/522790292.db2.gz VLHAEXNGHOSRCR-SHQCIBLASA-N 0 0 444.600 5.650 40 0 IKABRN CC[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000020456720 522794801 /nfs/dbraw/zinc/79/48/01/522794801.db2.gz AJWBXNVTPBKFMH-HSZRJFAPSA-N 0 0 436.577 5.010 40 0 IKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000020494844 522877162 /nfs/dbraw/zinc/87/71/62/522877162.db2.gz YQMGSFDCGBEPMN-QFIPXVFZSA-N 0 0 448.415 6.354 40 0 IKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000022528592 522882995 /nfs/dbraw/zinc/88/29/95/522882995.db2.gz ICVDSLUDZYPJKL-SFHVURJKSA-N 0 0 432.800 5.854 40 0 IKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020493907 522884305 /nfs/dbraw/zinc/88/43/05/522884305.db2.gz QYAUFZGTAPNHAB-NRFANRHFSA-N 0 0 428.315 6.021 40 0 IKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020488010 522887362 /nfs/dbraw/zinc/88/73/62/522887362.db2.gz AFPILAFGQVCARA-QFIPXVFZSA-N 0 0 442.481 5.365 40 0 IKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(I)cc1 ZINC000022529466 522888449 /nfs/dbraw/zinc/88/84/49/522888449.db2.gz FESHMKOUVRWILH-SFHVURJKSA-N 0 0 431.273 5.241 40 0 IKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000020485243 522888655 /nfs/dbraw/zinc/88/86/55/522888655.db2.gz AMTIJGRHXOLVAQ-DEOSSOPVSA-N 0 0 430.548 5.698 40 0 IKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000020460926 522897502 /nfs/dbraw/zinc/89/75/02/522897502.db2.gz APTKIHAGEOAOAX-JTSKRJEESA-N 0 0 436.939 5.627 40 0 IKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1 ZINC000020453901 522920457 /nfs/dbraw/zinc/92/04/57/522920457.db2.gz OHHOJDOFNFUUPR-HNNXBMFYSA-N 0 0 431.726 5.454 40 0 IKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000022511623 523039953 /nfs/dbraw/zinc/03/99/53/523039953.db2.gz IMXRRWYJOMVXLA-HXUWFJFHSA-N 0 0 426.409 5.817 40 0 IKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000022534272 523046096 /nfs/dbraw/zinc/04/60/96/523046096.db2.gz LQERHBDYKCHIPT-HHHXNRCGSA-N 0 0 443.518 6.032 40 0 IKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000022528036 523046374 /nfs/dbraw/zinc/04/63/74/523046374.db2.gz LGROSKJOHNDUMR-HHHXNRCGSA-N 0 0 441.596 7.237 40 0 IKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000020459430 523046386 /nfs/dbraw/zinc/04/63/86/523046386.db2.gz MFYMRANJYXBBFY-AREMUKBSSA-N 0 0 438.527 5.566 40 0 IKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000020494846 523046782 /nfs/dbraw/zinc/04/67/82/523046782.db2.gz IVHJEULMHYJXQN-XMMPIXPASA-N 0 0 431.919 7.082 40 0 IKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000022528587 523051211 /nfs/dbraw/zinc/05/12/11/523051211.db2.gz ICVDSLUDZYPJKL-GOSISDBHSA-N 0 0 432.800 5.854 40 0 IKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCSCc1c(F)cccc1Cl ZINC000020494601 523054354 /nfs/dbraw/zinc/05/43/54/523054354.db2.gz CJGOCBIKUJKUID-OAQYLSRUSA-N 0 0 431.960 5.839 40 0 IKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 ZINC000020610586 523060528 /nfs/dbraw/zinc/06/05/28/523060528.db2.gz YLJMIKLQCORBSB-UHFFFAOYSA-N 0 0 436.515 5.958 40 0 IKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1 ZINC000016284276 523060746 /nfs/dbraw/zinc/06/07/46/523060746.db2.gz BVYQNMLCJIYVLD-UHFFFAOYSA-N 0 0 441.965 5.547 40 0 IKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000020459258 523061771 /nfs/dbraw/zinc/06/17/71/523061771.db2.gz XUKMXTGFHJPUSW-JOCHJYFZSA-N 0 0 425.981 6.737 40 0 IKABRN COc1ccc(-c2ccc(C3=NNC(c4ccc(C(C)C)cc4)=Nc4ccccc43)cc2)cc1 ZINC000012497720 523131574 /nfs/dbraw/zinc/13/15/74/523131574.db2.gz NRKYOJAPHJMDCJ-UHFFFAOYSA-N 0 0 445.566 6.920 40 0 IKABRN COc1ccc(-c2ccc(C3=NNC(c4ccc(OC)cc4)=Nc4ccc(C)cc43)cc2)cc1 ZINC000012497655 523131606 /nfs/dbraw/zinc/13/16/06/523131606.db2.gz VDXHCBPQSSTUDW-UHFFFAOYSA-N 0 0 447.538 6.113 40 0 IKABRN COc1ccc(-c2ccc(C3=NNC(c4ccc(OC)cc4)=Nc4ccccc43)cc2)cc1 ZINC000012497651 523132916 /nfs/dbraw/zinc/13/29/16/523132916.db2.gz WXLNNYNKKPBUGV-UHFFFAOYSA-N 0 0 433.511 5.805 40 0 IKABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)c1ccccc1 ZINC000035311658 523196605 /nfs/dbraw/zinc/19/66/05/523196605.db2.gz RROJTYMUUWBABL-UHFFFAOYSA-N 0 0 435.578 5.009 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)c3sc(Nc4ccc(F)cc4)nc3C)ccc21 ZINC000022246073 523277060 /nfs/dbraw/zinc/27/70/60/523277060.db2.gz GPMJFGKXTNFVFW-UHFFFAOYSA-N 0 0 444.535 6.714 40 0 IKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000022509062 523277695 /nfs/dbraw/zinc/27/76/95/523277695.db2.gz TUOLJPCNKILRRK-UHFFFAOYSA-N 0 0 442.540 6.408 40 0 IKABRN CCn1cc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022606078 523342532 /nfs/dbraw/zinc/34/25/32/523342532.db2.gz CLHPVLVHSAJEHQ-MRXNPFEDSA-N 0 0 430.470 5.456 40 0 IKABRN CCn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c2cc(Cl)ccc21 ZINC000022234895 523344940 /nfs/dbraw/zinc/34/49/40/523344940.db2.gz GYCNMQBFOPDYKA-UHFFFAOYSA-N 0 0 429.225 5.599 40 0 IKABRN CCn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2cc(OC)ccc21 ZINC000022235973 523344961 /nfs/dbraw/zinc/34/49/61/523344961.db2.gz FLTMJDGUNSZLPC-UHFFFAOYSA-N 0 0 448.906 5.728 40 0 IKABRN CCn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236782 523345012 /nfs/dbraw/zinc/34/50/12/523345012.db2.gz NENSUBMCVNRCSV-UHFFFAOYSA-N 0 0 429.225 5.599 40 0 IKABRN CCn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2ccccc21 ZINC000022234581 523345244 /nfs/dbraw/zinc/34/52/44/523345244.db2.gz LTOIKUORDNOKQN-UHFFFAOYSA-N 0 0 428.332 5.311 40 0 IKABRN CCn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2cc(OC)ccc21 ZINC000022235970 523347072 /nfs/dbraw/zinc/34/70/72/523347072.db2.gz HLOJJKYWBVCQRA-UHFFFAOYSA-N 0 0 430.529 5.434 40 0 IKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000020611278 523347266 /nfs/dbraw/zinc/34/72/66/523347266.db2.gz FKOZKHIKIZZJFS-VGOFMYFVSA-N 0 0 426.520 5.513 40 0 IKABRN CCn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236761 523348243 /nfs/dbraw/zinc/34/82/43/523348243.db2.gz NEFUGJKQMWGORF-UHFFFAOYSA-N 0 0 439.231 5.055 40 0 IKABRN COc1ccc(-n2nc(Nc3cccc(C(F)(F)F)c3)c3c2CC(C)(C)CC3=O)cc1 ZINC000020797045 523348119 /nfs/dbraw/zinc/34/81/19/523348119.db2.gz BMTJORRXYQICEV-UHFFFAOYSA-N 0 0 429.442 5.798 40 0 IKABRN COc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1Cl ZINC000020610736 523349050 /nfs/dbraw/zinc/34/90/50/523349050.db2.gz XPCKLQABXOEDEQ-UHFFFAOYSA-N 0 0 447.709 5.642 40 0 IKABRN COc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1Cl ZINC000020610730 523350088 /nfs/dbraw/zinc/35/00/88/523350088.db2.gz VCXMCNONMIOSIL-UHFFFAOYSA-N 0 0 447.709 5.642 40 0 IKABRN CCc1c(C)sc2nc(C)nc(SCC(=O)N3c4ccc(F)cc4CC[C@H]3C)c12 ZINC000012500062 523721106 /nfs/dbraw/zinc/72/11/06/523721106.db2.gz FEOWFEHHVBARQL-GFCCVEGCSA-N 0 0 429.586 5.470 40 0 IKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)Nc1ccccc1OC ZINC000035311773 523742140 /nfs/dbraw/zinc/74/21/40/523742140.db2.gz SHXOYYWZMMODMP-UHFFFAOYSA-N 0 0 427.932 5.194 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223178328 523769530 /nfs/dbraw/zinc/76/95/30/523769530.db2.gz DLIKGWCLVMYOCR-HXUWFJFHSA-N 0 0 435.395 5.258 40 0 IKABRN CCc1cc(I)ccc1NC(=O)COc1ccc([C@H](C)CC)cc1 ZINC000001854315 523788150 /nfs/dbraw/zinc/78/81/50/523788150.db2.gz DFNJCFORSJUVGS-CQSZACIVSA-N 0 0 437.321 5.385 40 0 IKABRN CN(C(=O)CCc1ccccc1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000012237247 523810784 /nfs/dbraw/zinc/81/07/84/523810784.db2.gz QROIFVXJVHJRMC-UHFFFAOYSA-N 0 0 445.588 5.095 40 0 IKABRN CCc1cc2cc3c(cc2nc1Sc1nc2cc4c(cc2cc1CC)OCO4)OCO3 ZINC000012644961 523851412 /nfs/dbraw/zinc/85/14/12/523851412.db2.gz KBHSKSIOUGWAHP-UHFFFAOYSA-N 0 0 432.501 5.516 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(O[C@@H](C)CC)cc4)cc3n2)cc1 ZINC000020611241 523868436 /nfs/dbraw/zinc/86/84/36/523868436.db2.gz QVKCBIXMBCDDJK-SFHVURJKSA-N 0 0 428.536 5.721 40 0 IKABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020610212 523868459 /nfs/dbraw/zinc/86/84/59/523868459.db2.gz SGPOYJZOEKAYMG-UHFFFAOYSA-N 0 0 441.318 5.307 40 0 IKABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1 ZINC000020610218 523868571 /nfs/dbraw/zinc/86/85/71/523868571.db2.gz IBNKGNWADPSXJF-UHFFFAOYSA-N 0 0 434.927 5.271 40 0 IKABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 ZINC000020610217 523869236 /nfs/dbraw/zinc/86/92/36/523869236.db2.gz HRKOCQQGGNNQMT-UHFFFAOYSA-N 0 0 428.536 5.432 40 0 IKABRN COc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(Cl)cc32)cc1 ZINC000012485259 523879324 /nfs/dbraw/zinc/87/93/24/523879324.db2.gz ISXOTMYVCVLMHP-UHFFFAOYSA-N 0 0 440.728 5.545 40 0 IKABRN COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(F)cc32)cc1OC ZINC000012486156 523879901 /nfs/dbraw/zinc/87/99/01/523879901.db2.gz ULSYJVCZZPPETA-UHFFFAOYSA-N 0 0 431.511 5.574 40 0 IKABRN COc1ccc(CCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC ZINC000022530669 523926132 /nfs/dbraw/zinc/92/61/32/523926132.db2.gz SFLHMNYPLLSUAO-UHFFFAOYSA-N 0 0 445.559 5.804 40 0 IKABRN COc1ccc(CCCC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c(C)c1 ZINC000012760296 523930735 /nfs/dbraw/zinc/93/07/35/523930735.db2.gz VFFQOJCHJJQZLU-QHCPKHFHSA-N 0 0 444.579 5.008 40 0 IKABRN COc1ccc(CCCC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c(C)c1 ZINC000012760275 523931123 /nfs/dbraw/zinc/93/11/23/523931123.db2.gz VFFQOJCHJJQZLU-HSZRJFAPSA-N 0 0 444.579 5.008 40 0 IKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2Cl)cc1 ZINC000020970156 523968961 /nfs/dbraw/zinc/96/89/61/523968961.db2.gz YOLHVZXULNEPPF-XMMPIXPASA-N 0 0 442.950 6.180 40 0 IKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2OC)cc1 ZINC000020970151 523969139 /nfs/dbraw/zinc/96/91/39/523969139.db2.gz PSFWTXDCQIZJDP-VWLOTQADSA-N 0 0 438.531 5.535 40 0 IKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(F)cc2)cc1 ZINC000020970077 523969545 /nfs/dbraw/zinc/96/95/45/523969545.db2.gz KKGLOEORPKATFD-XMMPIXPASA-N 0 0 426.495 5.665 40 0 IKABRN COc1ccc(CN(Cc2cc3cc(C)ccc3nc2Cl)C(=O)c2ccccc2)cc1 ZINC000012493671 524013841 /nfs/dbraw/zinc/01/38/41/524013841.db2.gz INDXATSMZIHYIT-UHFFFAOYSA-N 0 0 430.935 6.048 40 0 IKABRN CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)cc2c1 ZINC000012706660 524057788 /nfs/dbraw/zinc/05/77/88/524057788.db2.gz SGGFFZQWPOKHCO-UHFFFAOYSA-N 0 0 437.971 6.111 40 0 IKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)c3ccc(C)cc3)cc2c1 ZINC000012644051 524058573 /nfs/dbraw/zinc/05/85/73/524058573.db2.gz DKUJOZLKZXVQET-UHFFFAOYSA-N 0 0 444.962 5.895 40 0 IKABRN CCc1ccc2c(c1)C(c1ccc(-c3ccc(OC)cc3)cc1)=NNC(c1ccncc1)=N2 ZINC000012707472 524058880 /nfs/dbraw/zinc/05/88/80/524058880.db2.gz ROLMEZMYICCTNG-UHFFFAOYSA-N 0 0 432.527 5.754 40 0 IKABRN CCc1ccc2nc(Cl)c(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CCC3)cc2c1 ZINC000012493732 524060497 /nfs/dbraw/zinc/06/04/97/524060497.db2.gz VHWSKGHFWCUHRU-UHFFFAOYSA-N 0 0 436.939 5.508 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nc(COc2ccccc2)nc2ccccc21 ZINC000012646036 524063759 /nfs/dbraw/zinc/06/37/59/524063759.db2.gz SJADIWHEMSDUNU-UHFFFAOYSA-N 0 0 443.572 5.810 40 0 IKABRN COc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000022076747 524072519 /nfs/dbraw/zinc/07/25/19/524072519.db2.gz VDCCRVGDZSVJNW-UHFFFAOYSA-N 0 0 446.772 5.980 40 0 IKABRN Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4Cl)c3)n2)c1 ZINC000022255377 524131464 /nfs/dbraw/zinc/13/14/64/524131464.db2.gz YDYXZKGHNNNHSQ-UHFFFAOYSA-N 0 0 447.922 5.550 40 0 IKABRN Cc1ccc(C)c(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc32)c1 ZINC000035292061 524136159 /nfs/dbraw/zinc/13/61/59/524136159.db2.gz LOANYDYHJBAABI-UHFFFAOYSA-N 0 0 429.545 5.556 40 0 IKABRN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N[C@H](C)c4ccccc4)c3N2)c1 ZINC000036057959 524184929 /nfs/dbraw/zinc/18/49/29/524184929.db2.gz LQVVRETYJPAIQE-JSNMRZPZSA-N 0 0 444.457 5.043 40 0 IKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3cccc(Cl)c3)cc12 ZINC000012644567 524214332 /nfs/dbraw/zinc/21/43/32/524214332.db2.gz FZDRBULYNBTXCT-UHFFFAOYSA-N 0 0 448.925 5.780 40 0 IKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3Cl)cc12 ZINC000012706074 524214798 /nfs/dbraw/zinc/21/47/98/524214798.db2.gz YBSNLPZYGLJYDK-GOSISDBHSA-N 0 0 439.943 5.011 40 0 IKABRN Cc1ccc(C2=N/C(=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=O)O2)cc1 ZINC000017086164 524231371 /nfs/dbraw/zinc/23/13/71/524231371.db2.gz AXFSKZNAOOUFKO-LPYMAVHISA-N 0 0 438.310 6.225 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020488880 524241156 /nfs/dbraw/zinc/24/11/56/524241156.db2.gz BVPUSKKEMRMJHM-UHFFFAOYSA-N 0 0 442.968 5.825 40 0 IKABRN Cc1cc(C)c(C(=O)c2ccccc2-c2ccccc2C(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000001728147 524244195 /nfs/dbraw/zinc/24/41/95/524244195.db2.gz SRJOTCYXGQTRNR-UHFFFAOYSA-N 0 0 446.590 7.666 40 0 IKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000020453502 524251400 /nfs/dbraw/zinc/25/14/00/524251400.db2.gz CUCFMCGUOSZNHP-LEWJYISDSA-N 0 0 430.548 5.509 40 0 IKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000020453505 524252099 /nfs/dbraw/zinc/25/20/99/524252099.db2.gz CUCFMCGUOSZNHP-SFTDATJTSA-N 0 0 430.548 5.509 40 0 IKABRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1Cl ZINC000035290471 524282664 /nfs/dbraw/zinc/28/26/64/524282664.db2.gz MWBSLIHDOMHRPC-UHFFFAOYSA-N 0 0 449.967 5.330 40 0 IKABRN Cc1cccc(C)c1NC(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC000012639472 524282959 /nfs/dbraw/zinc/28/29/59/524282959.db2.gz MHAYEKFLTDOTMD-ZDUSSCGKSA-N 0 0 437.634 6.041 40 0 IKABRN Cc1cccc(C)c1NC(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000012639468 524283077 /nfs/dbraw/zinc/28/30/77/524283077.db2.gz MHAYEKFLTDOTMD-CYBMUJFWSA-N 0 0 437.634 6.041 40 0 IKABRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)n1Cc1ccccc1 ZINC000012494113 524289828 /nfs/dbraw/zinc/28/98/28/524289828.db2.gz BWTQOKZKUKPRHQ-UHFFFAOYSA-N 0 0 444.560 5.041 40 0 IKABRN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n1Cc1ccco1 ZINC000012495378 524292224 /nfs/dbraw/zinc/29/22/24/524292224.db2.gz QSACDHHDXFGDMG-KRWDZBQOSA-N 0 0 448.548 5.023 40 0 IKABRN COc1ccc(F)cc1-c1ccccc1CC1(C(=O)NCCc2ccccc2)CCOCC1 ZINC000012231499 524295166 /nfs/dbraw/zinc/29/51/66/524295166.db2.gz RVNDDLJPLLWIRN-UHFFFAOYSA-N 0 0 447.550 5.200 40 0 IKABRN COc1ccc(F)cc1-c1ccccc1CC1(C(=O)NCc2cccs2)CCOCC1 ZINC000012231513 524295436 /nfs/dbraw/zinc/29/54/36/524295436.db2.gz QCPYRIFQSHKWPW-UHFFFAOYSA-N 0 0 439.552 5.219 40 0 IKABRN Cc1cccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N4)C2)c1 ZINC000012160716 524340313 /nfs/dbraw/zinc/34/03/13/524340313.db2.gz NGXURAVDXYYDHZ-SXLOBPIMSA-N 0 0 448.533 5.084 40 0 IKABRN Cc1cccc(CC(=O)N2CC[C@@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N4)C2)c1 ZINC000012160709 524340474 /nfs/dbraw/zinc/34/04/74/524340474.db2.gz NGXURAVDXYYDHZ-RLLQIKCJSA-N 0 0 448.533 5.084 40 0 IKABRN Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)c3cccc(F)c3)c(Cl)nc2c1 ZINC000035290145 524351032 /nfs/dbraw/zinc/35/10/32/524351032.db2.gz FXUAJXROFWWZRQ-UHFFFAOYSA-N 0 0 433.914 5.882 40 0 IKABRN COc1ccccc1C(=O)c1c(NC(=O)CN(C)C2CCCCC2)sc2c1CCCC2 ZINC000012636058 524363143 /nfs/dbraw/zinc/36/31/43/524363143.db2.gz XLKKHFIDTJMPNG-UHFFFAOYSA-N 0 0 440.609 5.070 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)c1 ZINC000020492409 524437555 /nfs/dbraw/zinc/43/75/55/524437555.db2.gz WHXIIJHNJBGHEW-SFHVURJKSA-N 0 0 440.540 5.043 40 0 IKABRN Cc1cc(C)cc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)c1 ZINC000035533947 524437611 /nfs/dbraw/zinc/43/76/11/524437611.db2.gz FKIYEMYVVZXUGL-UHFFFAOYSA-N 0 0 438.506 5.749 40 0 IKABRN Cc1cc(C)cc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1 ZINC000041076889 524437762 /nfs/dbraw/zinc/43/77/62/524437762.db2.gz CKKUUKRFBHBIEH-UHFFFAOYSA-N 0 0 436.964 6.053 40 0 IKABRN Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(Cl)cc2)C4)c1 ZINC000020632531 524464553 /nfs/dbraw/zinc/46/45/53/524464553.db2.gz PVNHJWRDWHZURS-QGZVFWFLSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1ccc(CN2c3cc(C(=O)Nc4ccc5c(c4)CCC5)ccc3OC(C)(C)C2=O)cc1 ZINC000012876109 524484548 /nfs/dbraw/zinc/48/45/48/524484548.db2.gz BHKCUEFQFJUQDW-UHFFFAOYSA-N 0 0 440.543 5.440 40 0 IKABRN Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(Cl)cc2)C4)cc1 ZINC000020632611 524650454 /nfs/dbraw/zinc/65/04/54/524650454.db2.gz VDUVKVFJXRYDCO-QGZVFWFLSA-N 0 0 434.952 5.291 40 0 IKABRN COc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccccc2)c(OC)c1 ZINC000035310736 524663765 /nfs/dbraw/zinc/66/37/65/524663765.db2.gz PYYXXEMOKJFRJV-UHFFFAOYSA-N 0 0 446.576 5.022 40 0 IKABRN Cc1ccc(Cn2c3nnc(SCc4ccc(Cl)cc4)n3c3ccccc3c2=O)cc1 ZINC000032985522 524770678 /nfs/dbraw/zinc/77/06/78/524770678.db2.gz MXCSEYYRFPBDTI-UHFFFAOYSA-N 0 0 446.963 5.347 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CSCc1cccc(Cl)c1 ZINC000016282534 524818184 /nfs/dbraw/zinc/81/81/84/524818184.db2.gz CUQCJPPEVYWVOO-UHFFFAOYSA-N 0 0 428.022 6.813 40 0 IKABRN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(Cl)c2)cc1 ZINC000020797344 525022452 /nfs/dbraw/zinc/02/24/52/525022452.db2.gz YYJKCEZGLKXSEI-QHCPKHFHSA-N 0 0 428.923 5.926 40 0 IKABRN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000020797340 525023075 /nfs/dbraw/zinc/02/30/75/525023075.db2.gz YYJKCEZGLKXSEI-HSZRJFAPSA-N 0 0 428.923 5.926 40 0 IKABRN Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000012704180 525108370 /nfs/dbraw/zinc/10/83/70/525108370.db2.gz DWWYHDJYZWHCSH-UHFFFAOYSA-N 0 0 445.607 5.540 40 0 IKABRN COc1ccc(S[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000020036847 525110791 /nfs/dbraw/zinc/11/07/91/525110791.db2.gz NFMXJLHPYSQJKM-CYBMUJFWSA-N 0 0 430.422 5.532 40 0 IKABRN COc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC ZINC000020451895 525143092 /nfs/dbraw/zinc/14/30/92/525143092.db2.gz GCTWJSCXPUIBMF-MRXNPFEDSA-N 0 0 441.980 6.141 40 0 IKABRN Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 ZINC000020796310 525187335 /nfs/dbraw/zinc/18/73/35/525187335.db2.gz KJNUOLWDMDGSNX-KRWDZBQOSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 ZINC000020632596 525187428 /nfs/dbraw/zinc/18/74/28/525187428.db2.gz WLRZHEDDZAPROS-KRWDZBQOSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CCCCC3)n2Cc2ccccc2)cc1 ZINC000012494205 525194862 /nfs/dbraw/zinc/19/48/62/525194862.db2.gz GMTRRTYCTNORLV-LJQANCHMSA-N 0 0 434.609 5.802 40 0 IKABRN Cc1ccccc1Cn1c2c(-c3cccc(Cl)c3)sc(=S)n2c2ccccc2c1=O ZINC000020378674 525210221 /nfs/dbraw/zinc/21/02/21/525210221.db2.gz PCKRYONIHMIZCZ-UHFFFAOYSA-N 0 0 449.000 6.722 40 0 IKABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1 ZINC000020454987 525219839 /nfs/dbraw/zinc/21/98/39/525219839.db2.gz PWCLENOSQNPSDE-UHFFFAOYSA-N 0 0 432.954 5.115 40 0 IKABRN C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000044904945 525220429 /nfs/dbraw/zinc/22/04/29/525220429.db2.gz FAZSAKDALVFMCD-QYBDOPJKSA-N 0 0 448.563 5.133 40 0 IKABRN Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)c1ccccc1 ZINC000000844001 525243950 /nfs/dbraw/zinc/24/39/50/525243950.db2.gz HFCVOUPNKDVYHT-UHFFFAOYSA-N 0 0 430.891 6.413 40 0 IKABRN Cc1cc(NC(=O)c2cccc(Br)c2)nn1Cc1cccc(Cl)c1Cl ZINC000020353724 525250729 /nfs/dbraw/zinc/25/07/29/525250729.db2.gz KGIMSJXYFKYOOO-UHFFFAOYSA-N 0 0 439.140 5.561 40 0 IKABRN Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000035311906 525258772 /nfs/dbraw/zinc/25/87/72/525258772.db2.gz BQCSFBWMKYHBGC-GOSISDBHSA-N 0 0 429.549 5.065 40 0 IKABRN Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000035311907 525259682 /nfs/dbraw/zinc/25/96/82/525259682.db2.gz BQCSFBWMKYHBGC-SFHVURJKSA-N 0 0 429.549 5.065 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)c(C)c1 ZINC000020492454 525295818 /nfs/dbraw/zinc/29/58/18/525295818.db2.gz BFSRDCMGMUZYOD-GOSISDBHSA-N 0 0 440.540 5.043 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)c(C)c1 ZINC000020492455 525296998 /nfs/dbraw/zinc/29/69/98/525296998.db2.gz BFSRDCMGMUZYOD-SFHVURJKSA-N 0 0 440.540 5.043 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000020482023 525348100 /nfs/dbraw/zinc/34/81/00/525348100.db2.gz WZPGMESNPCKTIZ-FQEVSTJZSA-N 0 0 434.374 5.357 40 0 IKABRN Cc1cc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)ccc1Cl ZINC000020610676 525366072 /nfs/dbraw/zinc/36/60/72/525366072.db2.gz NSKYGSFXMKSKBH-UHFFFAOYSA-N 0 0 434.927 5.523 40 0 IKABRN Cc1ccccc1[C@@H]1C(C(=O)Nc2ccc(Cl)cc2)=C(C)Nc2nc3ccccc3n21 ZINC000020797487 525377448 /nfs/dbraw/zinc/37/74/48/525377448.db2.gz WFZXFACMJLWOCJ-HSZRJFAPSA-N 0 0 428.923 5.926 40 0 IKABRN Cc1ccccc1[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000020491013 525425637 /nfs/dbraw/zinc/42/56/37/525425637.db2.gz SQAGUBQWQPVXJX-JOCHJYFZSA-N 0 0 444.756 5.696 40 0 IKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccnc1 ZINC000224392413 525499252 /nfs/dbraw/zinc/49/92/52/525499252.db2.gz MLWYNGVBAPOMPG-BJKOFHAPSA-N 0 0 443.551 5.200 40 0 IKABRN COc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000012486113 525509154 /nfs/dbraw/zinc/50/91/54/525509154.db2.gz GDUMNWSFJPYRAP-UHFFFAOYSA-N 0 0 443.547 5.444 40 0 IKABRN Cc1c(/C=c2\sc3nc4ccccc4n3c2=O)c2cc(C)ccc2n1Cc1cccc(C)c1 ZINC000041082760 525521358 /nfs/dbraw/zinc/52/13/58/525521358.db2.gz GLLJBZCPCVZWHW-YSMPRRRNSA-N 0 0 449.579 5.385 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)c(Cl)c2)cc1 ZINC000020456778 525599359 /nfs/dbraw/zinc/59/93/59/525599359.db2.gz PTABNJLPCQYNIT-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000020492650 525602640 /nfs/dbraw/zinc/60/26/40/525602640.db2.gz 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Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CC2)cc1 ZINC000012475058 525678817 /nfs/dbraw/zinc/67/88/17/525678817.db2.gz JBCHNYLHGSUKCU-MHZLTWQESA-N 0 0 443.591 5.200 40 0 IKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000020610970 525688272 /nfs/dbraw/zinc/68/82/72/525688272.db2.gz QOKGZHMELOBJHG-CQSZACIVSA-N 0 0 441.318 5.442 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000020611007 525688322 /nfs/dbraw/zinc/68/83/22/525688322.db2.gz OMVDYXKPENTPHU-UHFFFAOYSA-N 0 0 434.927 5.669 40 0 IKABRN COc1cccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)n2)c1 ZINC000225825027 525735763 /nfs/dbraw/zinc/73/57/63/525735763.db2.gz WDIPNRGUMHVXBB-UHFFFAOYSA-N 0 0 449.894 5.762 40 0 IKABRN Cc1ccc(-c2ccccc2CC2(C(=O)Nc3cccc(C(N)=O)c3)CCOCC2)c(C)c1 ZINC000012231628 525757641 /nfs/dbraw/zinc/75/76/41/525757641.db2.gz NDMKNYNMYCTRCA-UHFFFAOYSA-N 0 0 442.559 5.047 40 0 IKABRN Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c2ccccc2)cc1 ZINC000020462578 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434.849 5.758 40 0 IKABRN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)c(Cl)c4)c3N2)cc1 ZINC000003012604 555879674 /nfs/dbraw/zinc/87/96/74/555879674.db2.gz WUMOCZDSOZCCRD-RTBURBONSA-N 0 0 448.876 6.066 40 0 IKABRN O=C(COC(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000003021055 555881498 /nfs/dbraw/zinc/88/14/98/555881498.db2.gz PXBITLSQSGVCEZ-UHFFFAOYSA-N 0 0 436.463 5.750 40 0 IKABRN Cc1cccc(N2CCN(C(=O)/C(=C/c3ccccc3Cl)c3ccccc3)CC2)c1C ZINC000408563345 555892051 /nfs/dbraw/zinc/89/20/51/555892051.db2.gz LQBXRTKRNSHDCO-LYBHJNIJSA-N 0 0 430.979 5.846 40 0 IKABRN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147364 555892409 /nfs/dbraw/zinc/89/24/09/555892409.db2.gz IIRIARBRGDSKOS-RUZDIDTESA-N 0 0 443.934 6.187 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Br)cc1 ZINC000035147899 555893000 /nfs/dbraw/zinc/89/30/00/555893000.db2.gz NKKQTRPWJWMXML-UHFFFAOYSA-N 0 0 443.316 5.526 40 0 IKABRN CCCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br ZINC000408557771 555896048 /nfs/dbraw/zinc/89/60/48/555896048.db2.gz OTRWJXXZDXCEKM-UHFFFAOYSA-N 0 0 433.571 6.266 40 0 IKABRN COc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2Cl)cc1 ZINC000408558252 555897192 /nfs/dbraw/zinc/89/71/92/555897192.db2.gz SMVHCRFUJIDEAG-UHFFFAOYSA-N 0 0 445.346 5.940 40 0 IKABRN Clc1ccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)cc1 ZINC000408558748 555898097 /nfs/dbraw/zinc/89/80/97/555898097.db2.gz VJZWHGHLFWFNDI-UHFFFAOYSA-N 0 0 437.164 6.947 40 0 IKABRN CC(C)c1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2C)cc1 ZINC000408560196 555900134 /nfs/dbraw/zinc/90/01/34/555900134.db2.gz DFPAYNXJZUFSRB-UHFFFAOYSA-N 0 0 430.577 5.413 40 0 IKABRN CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc(OC)c(Br)c1 ZINC000408560565 555901760 /nfs/dbraw/zinc/90/17/60/555901760.db2.gz DJPSIRJCKKVUEW-XDOYNYLZSA-N 0 0 431.355 5.057 40 0 IKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1OC ZINC000408560958 555902588 /nfs/dbraw/zinc/90/25/88/555902588.db2.gz GCOZONNOUVPXRZ-XDOYNYLZSA-N 0 0 431.355 5.057 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408560939 555902607 /nfs/dbraw/zinc/90/26/07/555902607.db2.gz FXSUOSQAXQQGLI-FLFQWRMESA-N 0 0 435.376 5.855 40 0 IKABRN CCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccc(Br)cc1 ZINC000408561362 555903607 /nfs/dbraw/zinc/90/36/07/555903607.db2.gz IHWGTFILCAORSW-LNVKXUELSA-N 0 0 429.383 5.611 40 0 IKABRN CCCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(F)cc1 ZINC000408561544 555903833 /nfs/dbraw/zinc/90/38/33/555903833.db2.gz JKTBCLGPNHGQSX-PNHLSOANSA-N 0 0 426.601 5.972 40 0 IKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccc(OC)c1 ZINC000408562487 555905554 /nfs/dbraw/zinc/90/55/54/555905554.db2.gz QBUZEUIGWGFGRS-XDOYNYLZSA-N 0 0 431.355 5.057 40 0 IKABRN CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(C)cc1 ZINC000408562388 555905695 /nfs/dbraw/zinc/90/56/95/555905695.db2.gz PHGKUYZUOUIVRH-LNVKXUELSA-N 0 0 429.383 5.611 40 0 IKABRN COc1ccc(/C=C(/C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000408562672 555906067 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CCOc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccc(F)cc1 ZINC000408571683 555915336 /nfs/dbraw/zinc/91/53/36/555915336.db2.gz CKCNJNVCJLBRON-UHFFFAOYSA-N 0 0 429.944 5.922 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000408572339 555915902 /nfs/dbraw/zinc/91/59/02/555915902.db2.gz GHYJQUOWKVHWCF-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN CCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408564546 555918144 /nfs/dbraw/zinc/91/81/44/555918144.db2.gz ZJSYXSZKAGGSHR-ATJXCDBQSA-N 0 0 433.346 5.442 40 0 IKABRN CCCOc1c(I)cc(C(=O)Nc2cccc(C)c2)cc1OCC ZINC000035154795 555920387 /nfs/dbraw/zinc/92/03/87/555920387.db2.gz OHZFCBKVAHFUIU-UHFFFAOYSA-N 0 0 439.293 5.039 40 0 IKABRN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2Cl)CC1 ZINC000408573119 555922962 /nfs/dbraw/zinc/92/29/62/555922962.db2.gz MBLPFFNXHOVOFG-JLHYYAGUSA-N 0 0 435.955 5.394 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1c2nsnc2ccc1C ZINC000408573010 555923028 /nfs/dbraw/zinc/92/30/28/555923028.db2.gz 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40 0 IKABRN CCOc1ccccc1N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000408625177 555995693 /nfs/dbraw/zinc/99/56/93/555995693.db2.gz IGTLGXITMIAMCE-UHFFFAOYSA-N 0 0 446.366 5.243 40 0 IKABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1)C2 ZINC000004482816 555996842 /nfs/dbraw/zinc/99/68/42/555996842.db2.gz NFPKEWMHXBQXSX-PUSFFXHRSA-N 0 0 426.944 5.131 40 0 IKABRN Cc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1NC(=O)c1ccccc1 ZINC000408626765 555997507 /nfs/dbraw/zinc/99/75/07/555997507.db2.gz WSWHRTPEHRWAQJ-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000408627425 555998317 /nfs/dbraw/zinc/99/83/17/555998317.db2.gz ZNVJQHPHBFZFSE-UHFFFAOYSA-N 0 0 444.940 5.100 40 0 IKABRN CCOc1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000408628550 555998919 /nfs/dbraw/zinc/99/89/19/555998919.db2.gz YSNPXBNJPIKFCQ-UHFFFAOYSA-N 0 0 431.941 5.143 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000408629683 555999964 /nfs/dbraw/zinc/99/99/64/555999964.db2.gz GFHUMFOSNJAAFZ-UHFFFAOYSA-N 0 0 442.496 5.639 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3)cc2Cl)c1C ZINC000035213654 556004647 /nfs/dbraw/zinc/00/46/47/556004647.db2.gz OKJPPFUJLVWZMJ-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN CCCC[C@@H](CC)COP(=O)(N(CCCC)CCCC)N(CCCC)CCCC ZINC000004691961 556006321 /nfs/dbraw/zinc/00/63/21/556006321.db2.gz QKJHLSJLPBHROT-XMMPIXPASA-N 0 0 432.674 8.132 40 0 IKABRN Cc1cc(C)cc(OC[C@H]2[C@@H](COC(=O)c3cccc(Cl)c3)c3ccccc3N2C)c1 ZINC000004773622 556011169 /nfs/dbraw/zinc/01/11/69/556011169.db2.gz GFOMBTVDBJDWDJ-ZCYQVOJMSA-N 0 0 435.951 5.795 40 0 IKABRN Cc1cc(C)cc(OC[C@@H]2[C@@H](COC(=O)c3cccc(Cl)c3)c3ccccc3N2C)c1 ZINC000004773621 556011235 /nfs/dbraw/zinc/01/12/35/556011235.db2.gz GFOMBTVDBJDWDJ-UKILVPOCSA-N 0 0 435.951 5.795 40 0 IKABRN CCCCCC(=O)OCP(=O)(COC(=O)CCCCC)COC(=O)CCCCC ZINC000004777484 556011240 /nfs/dbraw/zinc/01/12/40/556011240.db2.gz JOTNXQQVHLDHQW-UHFFFAOYSA-N 0 0 434.510 5.593 40 0 IKABRN CC/C(=C(/CC)c1ccc(O[C@H]2C=CCCC2)cc1)c1ccc(O[C@H]2C=CCCC2)cc1 ZINC000004775292 556011331 /nfs/dbraw/zinc/01/13/31/556011331.db2.gz TTXGLJCLKHXJLQ-GLISXSIZSA-N 0 0 428.616 8.392 40 0 IKABRN COC(=O)CCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004805130 556012518 /nfs/dbraw/zinc/01/25/18/556012518.db2.gz OYPYMNFOUYYNKV-WZHKHAFFSA-N 0 0 432.601 5.099 40 0 IKABRN Cc1cc(-c2ccc(Br)cc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000408635778 556014068 /nfs/dbraw/zinc/01/40/68/556014068.db2.gz BUFQYAMIACFHBP-UHFFFAOYSA-N 0 0 432.243 6.153 40 0 IKABRN Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408637808 556015225 /nfs/dbraw/zinc/01/52/25/556015225.db2.gz AFINUDQVEXNFFG-LLVKDONJSA-N 0 0 442.140 5.056 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)cc1C ZINC000408639687 556016286 /nfs/dbraw/zinc/01/62/86/556016286.db2.gz GWOPINJBYOFDPV-IBGZPJMESA-N 0 0 448.950 6.049 40 0 IKABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000408640281 556016688 /nfs/dbraw/zinc/01/66/88/556016688.db2.gz IIBGDILVURWCER-NSHDSACASA-N 0 0 431.241 5.312 40 0 IKABRN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 ZINC000408637153 556020151 /nfs/dbraw/zinc/02/01/51/556020151.db2.gz GDNXSNZFMNDDRL-UHFFFAOYSA-N 0 0 439.924 5.494 40 0 IKABRN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc(Cl)ccc1OC ZINC000408637228 556020247 /nfs/dbraw/zinc/02/02/47/556020247.db2.gz HVMIVYRYPXQZOA-UHFFFAOYSA-N 0 0 428.772 6.226 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1C ZINC000408645462 556021534 /nfs/dbraw/zinc/02/15/34/556021534.db2.gz UVQXNYJLKDVYGB-NRFANRHFSA-N 0 0 428.532 5.704 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)c1C ZINC000408646704 556022376 /nfs/dbraw/zinc/02/23/76/556022376.db2.gz WCQJJBBNIRLAMU-NRFANRHFSA-N 0 0 428.532 5.704 40 0 IKABRN Cc1c(Cl)c(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408642804 556023378 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O[C@@H]1c2ccccc2[C@@]2(O)[C@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000005813194 556067035 /nfs/dbraw/zinc/06/70/35/556067035.db2.gz QWYCALYVYWPWLT-URNDJICFSA-N 0 0 434.535 5.006 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(Br)cc4C3=O)cc2)cc1C ZINC000408674363 556067330 /nfs/dbraw/zinc/06/73/30/556067330.db2.gz ZHWDOMOOHFQZJD-UHFFFAOYSA-N 0 0 449.304 5.119 40 0 IKABRN CCCC[C@@H]1c2c3ccccc3[nH]c2[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@@H]1CCC ZINC000005941104 556069608 /nfs/dbraw/zinc/06/96/08/556069608.db2.gz PMONBFSPMKSPTJ-GCYXNMHMSA-N 0 0 444.575 6.153 40 0 IKABRN COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCC[C@@H]4[C@@H]3C2=O)cc1 ZINC000005941018 556069679 /nfs/dbraw/zinc/06/96/79/556069679.db2.gz VCDXHZUBOZUMDL-PXTBKIQTSA-N 0 0 442.559 5.907 40 0 IKABRN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000005948944 556070444 /nfs/dbraw/zinc/07/04/44/556070444.db2.gz IKFKVICXCRQSCP-UHFFFAOYSA-N 0 0 433.558 5.489 40 0 IKABRN COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)n2c(C)ccc2C)c1 ZINC000408682612 556082529 /nfs/dbraw/zinc/08/25/29/556082529.db2.gz JVPBDYHKFOAFMM-UHFFFAOYSA-N 0 0 431.319 5.082 40 0 IKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Br)c1C ZINC000035362090 556083876 /nfs/dbraw/zinc/08/38/76/556083876.db2.gz VKMZZDBTDJSLIE-UHFFFAOYSA-N 0 0 439.353 5.696 40 0 IKABRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cc(Cl)ccc4Cl)c3)C(=O)[C@@H]2C1 ZINC000408685162 556084864 /nfs/dbraw/zinc/08/48/64/556084864.db2.gz QFWJQNJXIYSRGS-IAGOWNOFSA-N 0 0 429.303 5.091 40 0 IKABRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4Cl)cc3)C(=O)[C@@H]2C1 ZINC000408689779 556089599 /nfs/dbraw/zinc/08/95/99/556089599.db2.gz ZHPPCZUSTBCCCK-DLBZAZTESA-N 0 0 429.303 5.091 40 0 IKABRN Cc1ccc(C)n1N(CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000408689854 556090060 /nfs/dbraw/zinc/09/00/60/556090060.db2.gz ZFYAHJJRBUILQI-UHFFFAOYSA-N 0 0 435.738 5.726 40 0 IKABRN COc1cccc(OC)c1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000035386645 556090804 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COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(Cl)c3C)n2)cc1 ZINC000408693679 556099592 /nfs/dbraw/zinc/09/95/92/556099592.db2.gz BTYOFLJQTAZRKI-UHFFFAOYSA-N 0 0 432.911 5.465 40 0 IKABRN COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000408699232 556101940 /nfs/dbraw/zinc/10/19/40/556101940.db2.gz VPCKTNQDJJIYEI-UHFFFAOYSA-N 0 0 442.519 5.129 40 0 IKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(Br)cc2)c1 ZINC000408699387 556102022 /nfs/dbraw/zinc/10/20/22/556102022.db2.gz TZTIJQAVNDSVNQ-UHFFFAOYSA-N 0 0 433.309 5.258 40 0 IKABRN O=C(Nc1ccccc1F)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 ZINC000408699383 556102036 /nfs/dbraw/zinc/10/20/36/556102036.db2.gz TYQSNPMJNSIPAZ-UHFFFAOYSA-N 0 0 427.266 5.633 40 0 IKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Br)c3)nn2-c2ccccc2C)cc1 ZINC000408699423 556102043 /nfs/dbraw/zinc/10/20/43/556102043.db2.gz UDPRLEGYACHXOT-UHFFFAOYSA-N 0 0 447.336 5.566 40 0 IKABRN O=C(Nc1cccc(Br)c1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000408700112 556103538 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QFKMNRIQKIPODS-UHFFFAOYSA-N 0 0 440.878 5.368 40 0 IKABRN CCn1c(SCc2cccc(Br)c2)nnc1-c1cc(Cl)ccc1OC ZINC000014084831 556364352 /nfs/dbraw/zinc/36/43/52/556364352.db2.gz JWXFLUJAQDWRMO-UHFFFAOYSA-N 0 0 438.778 5.682 40 0 IKABRN COc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c2ccccc12 ZINC000214805697 556392779 /nfs/dbraw/zinc/39/27/79/556392779.db2.gz IFRVXVYUXYZECF-RGVLZGJSSA-N 0 0 444.339 6.392 40 0 IKABRN COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000214782811 556403022 /nfs/dbraw/zinc/40/30/22/556403022.db2.gz QPBJTZATJGWNIC-RGVLZGJSSA-N 0 0 444.339 6.392 40 0 IKABRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000014406324 556415551 /nfs/dbraw/zinc/41/55/51/556415551.db2.gz HXMIXEGHWNRUHK-UHFFFAOYSA-N 0 0 432.564 6.771 40 0 IKABRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000014427230 556415940 /nfs/dbraw/zinc/41/59/40/556415940.db2.gz DOZXETAANGLMNU-UHFFFAOYSA-N 0 0 435.332 5.071 40 0 IKABRN O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214824299 556431119 /nfs/dbraw/zinc/43/11/19/556431119.db2.gz CYQVLXQZTXMLTA-OVCLIPMQSA-N 0 0 443.149 5.992 40 0 IKABRN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2cccnc2)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000039389022 556434494 /nfs/dbraw/zinc/43/44/94/556434494.db2.gz UCQVCXBZGLCJAX-SFHVURJKSA-N 0 0 447.604 6.107 40 0 IKABRN CCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 ZINC000039427769 556435281 /nfs/dbraw/zinc/43/52/81/556435281.db2.gz IBAUGCWVSWQYMK-HSZRJFAPSA-N 0 0 431.540 5.083 40 0 IKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000039419824 556436389 /nfs/dbraw/zinc/43/63/89/556436389.db2.gz DVIUCIPCTDVQAP-VCRDOGAPSA-N 0 0 432.645 6.166 40 0 IKABRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000039763826 556436668 /nfs/dbraw/zinc/43/66/68/556436668.db2.gz JXZDLMBXVOZKFC-UHFFFAOYSA-N 0 0 434.908 5.363 40 0 IKABRN O=C(Cc1cccc2ccccc21)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 ZINC000039766838 556437037 /nfs/dbraw/zinc/43/70/37/556437037.db2.gz MJXBSXBQXIUOHT-UHFFFAOYSA-N 0 0 448.482 5.323 40 0 IKABRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1)c1cccc(Cl)c1 ZINC000039767147 556437097 /nfs/dbraw/zinc/43/70/97/556437097.db2.gz ASVUBBLNWJOCFN-UHFFFAOYSA-N 0 0 434.908 5.363 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3cccc(C)c3)s2)cc1 ZINC000039768439 556437418 /nfs/dbraw/zinc/43/74/18/556437418.db2.gz PSCDVXALLNWJFX-UHFFFAOYSA-N 0 0 444.516 5.027 40 0 IKABRN O=C(Cc1cccc2ccccc21)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 ZINC000039773197 556437769 /nfs/dbraw/zinc/43/77/69/556437769.db2.gz SBRZQSFRJQOCHP-UHFFFAOYSA-N 0 0 448.482 5.323 40 0 IKABRN COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000039857486 556437871 /nfs/dbraw/zinc/43/78/71/556437871.db2.gz SIEUNMDLRYRDSL-HAHDFKILSA-N 0 0 431.513 5.824 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000014739592 556438187 /nfs/dbraw/zinc/43/81/87/556438187.db2.gz SOOOECZBZWWSTD-UHFFFAOYSA-N 0 0 434.989 5.199 40 0 IKABRN Cc1cccc(CSCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000039748626 556438398 /nfs/dbraw/zinc/43/83/98/556438398.db2.gz CHFUPELMJXOQBC-UHFFFAOYSA-N 0 0 435.008 5.049 40 0 IKABRN O=C(Nc1nnc(-c2ccccc2)o1)c1ccccc1NC(=O)c1cccc2ccccc21 ZINC000039754055 556439076 /nfs/dbraw/zinc/43/90/76/556439076.db2.gz HPEUVRYQRLAFAR-UHFFFAOYSA-N 0 0 434.455 5.394 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1F)C(=O)c1ccco1 ZINC000013025689 556440209 /nfs/dbraw/zinc/44/02/09/556440209.db2.gz MTUFMKIVAWGBJJ-HSZRJFAPSA-N 0 0 438.474 5.000 40 0 IKABRN COc1cccc(N2CCN([C@H](C(=O)c3c(C)[nH]c4ccccc43)c3ccccc3)CC2)c1 ZINC000037100526 556440388 /nfs/dbraw/zinc/44/03/88/556440388.db2.gz QMBVBIABUPVZDO-MHZLTWQESA-N 0 0 439.559 5.231 40 0 IKABRN CC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 ZINC000013026905 556440549 /nfs/dbraw/zinc/44/05/49/556440549.db2.gz JZJKZJCFFDBHFS-RUZDIDTESA-N 0 0 444.531 5.238 40 0 IKABRN Cc1ccc(-c2nc3ccccc3c(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC000013084701 556455914 /nfs/dbraw/zinc/45/59/14/556455914.db2.gz SVGRNYBVVCFGRO-UHFFFAOYSA-N 0 0 443.616 5.782 40 0 IKABRN O=C(Oc1cccc2ccccc21)[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Oc1cccc2ccccc21 ZINC000014920903 556458710 /nfs/dbraw/zinc/45/87/10/556458710.db2.gz XPWPZXGCDIIACE-BKJLSBSTSA-N 0 0 434.491 5.942 40 0 IKABRN NC(=O)c1ccc(-c2nnc(Oc3ccc(OC(F)(F)F)cc3)c3ccccc32)cc1 ZINC000014944604 556459360 /nfs/dbraw/zinc/45/93/60/556459360.db2.gz ACPOSCKIZGKNQE-UHFFFAOYSA-N 0 0 425.366 5.087 40 0 IKABRN CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408876846 556466625 /nfs/dbraw/zinc/46/66/25/556466625.db2.gz OIBMIDCNXWIRKG-ZDLGFXPLSA-N 0 0 448.466 5.504 40 0 IKABRN COc1ccc(CCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC ZINC000408877398 556468222 /nfs/dbraw/zinc/46/82/22/556468222.db2.gz VPUXTYBKELPGLI-UHFFFAOYSA-N 0 0 441.980 5.622 40 0 IKABRN CCOc1ccc(/C=C2\SC(=N)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408887764 556474725 /nfs/dbraw/zinc/47/47/25/556474725.db2.gz TWROXGPQXVVBDD-OUCYFQBSSA-N 0 0 447.354 5.302 40 0 IKABRN CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 ZINC000015015453 556484750 /nfs/dbraw/zinc/48/47/50/556484750.db2.gz GPNONYZDXMYCNG-HSZRJFAPSA-N 0 0 434.609 6.838 40 0 IKABRN CCCSc1nnc2c(n1)O[C@@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 ZINC000015015995 556485137 /nfs/dbraw/zinc/48/51/37/556485137.db2.gz GCSZUQRDLRMQIM-QFIPXVFZSA-N 0 0 434.565 5.865 40 0 IKABRN CCCCSc1nnc2c(n1)O[C@@H](c1cccn1C)Nc1ccc(Br)cc1-2 ZINC000015015862 556485144 /nfs/dbraw/zinc/48/51/44/556485144.db2.gz WCFVBSYEVDUIER-KRWDZBQOSA-N 0 0 446.374 5.035 40 0 IKABRN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1-2 ZINC000015018373 556487104 /nfs/dbraw/zinc/48/71/04/556487104.db2.gz FRPCVZPVKMHOCH-SFHVURJKSA-N 0 0 433.364 6.241 40 0 IKABRN O=C1S/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N1c1ccccc1 ZINC000408900956 556488552 /nfs/dbraw/zinc/48/85/52/556488552.db2.gz AOFQJCRROHQWCW-QGOAFFKASA-N 0 0 425.307 5.481 40 0 IKABRN Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000408906181 556493288 /nfs/dbraw/zinc/49/32/88/556493288.db2.gz AUMRHFUTLNQWNX-UHFFFAOYSA-N 0 0 446.981 5.180 40 0 IKABRN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000030620870 556500116 /nfs/dbraw/zinc/50/01/16/556500116.db2.gz MVFTWCYRZCTCSI-UHFFFAOYSA-N 0 0 443.934 5.624 40 0 IKABRN COc1ccc(OCCCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000030751098 556502973 /nfs/dbraw/zinc/50/29/73/556502973.db2.gz MQVVPGMWJMLAHC-UHFFFAOYSA-N 0 0 445.559 6.021 40 0 IKABRN O=C(N[C@H](Nc1ccc(C(F)(F)F)c(Cl)c1)C(Cl)(Cl)Cl)c1cccnc1 ZINC000013371534 556503411 /nfs/dbraw/zinc/50/34/11/556503411.db2.gz JJUQEDDJVHWNOA-ZDUSSCGKSA-N 0 0 447.071 5.292 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)cc1C ZINC000030753711 556503825 /nfs/dbraw/zinc/50/38/25/556503825.db2.gz QRIGKTXOYSXGHV-XMMPIXPASA-N 0 0 448.588 5.220 40 0 IKABRN CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1 ZINC000030755367 556504455 /nfs/dbraw/zinc/50/44/55/556504455.db2.gz BZUBYXPMGWSXCO-QHCPKHFHSA-N 0 0 436.577 5.294 40 0 IKABRN C[C@@H]1CC[C@](C)(COC(=O)c2ccccc2C(=O)OC[C@]2(C)CC[C@H](C)C2(C)C)C1(C)C ZINC000013405255 556504973 /nfs/dbraw/zinc/50/49/73/556504973.db2.gz NKAAAQIOGVGJLI-NLJBZHCJSA-N 0 0 442.640 6.925 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)N1C(=O)c2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000013410319 556505152 /nfs/dbraw/zinc/50/51/52/556505152.db2.gz YQABJZDZFGKJGZ-AUUXCDECSA-N 0 0 425.956 6.483 40 0 IKABRN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408919372 556505567 /nfs/dbraw/zinc/50/55/67/556505567.db2.gz WZQOOGNSKUDFHM-NFJKTXFASA-N 0 0 434.322 5.396 40 0 IKABRN COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1OC ZINC000030758409 556505578 /nfs/dbraw/zinc/50/55/78/556505578.db2.gz PPNYKFVZKIPFHM-IBGZPJMESA-N 0 0 430.548 5.148 40 0 IKABRN COC(=O)c1ccc(Cn2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)cc1 ZINC000036611250 556506775 /nfs/dbraw/zinc/50/67/75/556506775.db2.gz UZMIVECNNYCQJB-UHFFFAOYSA-N 0 0 430.935 6.322 40 0 IKABRN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3ccccc3Cl)c12 ZINC000036613215 556507460 /nfs/dbraw/zinc/50/74/60/556507460.db2.gz XXDAMBLICGXXOB-UHFFFAOYSA-N 0 0 430.939 5.249 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000030847846 556507862 /nfs/dbraw/zinc/50/78/62/556507862.db2.gz CTROHXLNSKIVIL-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000030847447 556507873 /nfs/dbraw/zinc/50/78/73/556507873.db2.gz MTOGWHQJDHDLQF-SANMLTNESA-N 0 0 427.569 6.928 40 0 IKABRN CCOc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000030850519 556508714 /nfs/dbraw/zinc/50/87/14/556508714.db2.gz NNHSRQWUWVSDMO-UHFFFAOYSA-N 0 0 444.940 5.100 40 0 IKABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000030851724 556509033 /nfs/dbraw/zinc/50/90/33/556509033.db2.gz RZLBKJXEQPGACE-UHFFFAOYSA-N 0 0 432.954 5.115 40 0 IKABRN CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccccc1 ZINC000030854405 556509663 /nfs/dbraw/zinc/50/96/63/556509663.db2.gz RPHNVWQITAZSEW-JOCHJYFZSA-N 0 0 442.968 5.330 40 0 IKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000030854936 556509871 /nfs/dbraw/zinc/50/98/71/556509871.db2.gz YBTOYLZEWMVVLY-OAQYLSRUSA-N 0 0 448.415 6.354 40 0 IKABRN CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1Br ZINC000037184677 556510171 /nfs/dbraw/zinc/51/01/71/556510171.db2.gz MESBDXILPZSBHO-UHFFFAOYSA-N 0 0 433.571 6.184 40 0 IKABRN CCOc1c(Br)cc(Br)cc1CNc1cc(Cl)ccc1C ZINC000037184684 556510338 /nfs/dbraw/zinc/51/03/38/556510338.db2.gz JCKOZHAZEIMISK-UHFFFAOYSA-N 0 0 433.571 6.184 40 0 IKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSCc1ccccc1Cl ZINC000030859267 556510722 /nfs/dbraw/zinc/51/07/22/556510722.db2.gz LDHIJMKWVMEJNE-UHFFFAOYSA-N 0 0 434.841 5.930 40 0 IKABRN CCc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc21 ZINC000013512669 556510824 /nfs/dbraw/zinc/51/08/24/556510824.db2.gz HYOUNAAVNZDRCW-UHFFFAOYSA-N 0 0 440.981 5.700 40 0 IKABRN Cc1ccccc1-n1c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000036614358 556510854 /nfs/dbraw/zinc/51/08/54/556510854.db2.gz DEAWEHPDTCUKQQ-UHFFFAOYSA-N 0 0 429.423 5.143 40 0 IKABRN Cc1ccccc1[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 ZINC000030860925 556510976 /nfs/dbraw/zinc/51/09/76/556510976.db2.gz UJCTYBFCGQOTOZ-QHCPKHFHSA-N 0 0 430.400 6.441 40 0 IKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000030860247 556511101 /nfs/dbraw/zinc/51/11/01/556511101.db2.gz GFIJZZDKXUKCGG-CJFMBICVSA-N 0 0 430.548 5.591 40 0 IKABRN CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@]21/C=C/c1ccccc1Cl ZINC000015222443 556512135 /nfs/dbraw/zinc/51/21/35/556512135.db2.gz LOYSAVMNKRHERW-HPEPBICTSA-N 0 0 428.963 5.890 40 0 IKABRN CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@@]21/C=C/c1ccccc1Cl ZINC000015222440 556512206 /nfs/dbraw/zinc/51/22/06/556512206.db2.gz LOYSAVMNKRHERW-NUKGXUILSA-N 0 0 428.963 5.890 40 0 IKABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000030869400 556513088 /nfs/dbraw/zinc/51/30/88/556513088.db2.gz CBIBJODPILGGGO-UHFFFAOYSA-N 0 0 427.548 5.032 40 0 IKABRN COc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000013547125 556514165 /nfs/dbraw/zinc/51/41/65/556514165.db2.gz FNZMKLDSRNFEAD-UHFFFAOYSA-N 0 0 431.601 5.904 40 0 IKABRN CCCCc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000030938244 556515571 /nfs/dbraw/zinc/51/55/71/556515571.db2.gz GVLWSKJIOUPUCC-UHFFFAOYSA-N 0 0 429.402 5.642 40 0 IKABRN COc1ccc([C@@H]2CC(c3ccccc3)=CC3=Nc4ncnn4[C@H](c4ccccc4)C32)cc1 ZINC000015303475 556517234 /nfs/dbraw/zinc/51/72/34/556517234.db2.gz COOSSAZYXWEGIW-RPLLCQBOSA-N 0 0 432.527 5.827 40 0 IKABRN COc1ccc([C@H]2CC(c3ccccc3)=CC3=Nc4ncnn4[C@H](c4ccccc4)C32)cc1 ZINC000015303481 556517244 /nfs/dbraw/zinc/51/72/44/556517244.db2.gz COOSSAZYXWEGIW-SHQCIBLASA-N 0 0 432.527 5.827 40 0 IKABRN CCCCc1ccc(NC2=C[C@@H](c3ccccc3)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000015304722 556517550 /nfs/dbraw/zinc/51/75/50/556517550.db2.gz BKSNBLAWWIWSDJ-LJAQVGFWSA-N 0 0 438.615 7.456 40 0 IKABRN COc1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1OC ZINC000408926431 556522531 /nfs/dbraw/zinc/52/25/31/556522531.db2.gz TWPFHOHMACMKIS-XBXARRHUSA-N 0 0 426.365 5.073 40 0 IKABRN O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015412418 556525137 /nfs/dbraw/zinc/52/51/37/556525137.db2.gz JTFKDABTRYZNQS-UHFFFAOYSA-N 0 0 439.295 5.186 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 ZINC000015412453 556525186 /nfs/dbraw/zinc/52/51/86/556525186.db2.gz GPFXKAXADRFRLE-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CC1=C(C(=O)Nc2ccccc2)C(/C=C\c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000031817028 556526511 /nfs/dbraw/zinc/52/65/11/556526511.db2.gz PTQBOWVVDUQGOG-HNENSFHCSA-N 0 0 449.554 5.745 40 0 IKABRN CC(=O)[C@H](C[NH+](CC(C)C)CC(C)C)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841585 556526869 /nfs/dbraw/zinc/52/68/69/556526869.db2.gz WLJJKQXSWXBIGG-ZCYQVOJMSA-N 0 0 449.591 5.450 40 0 IKABRN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCc1ccccc1-3 ZINC000036618879 556527250 /nfs/dbraw/zinc/52/72/50/556527250.db2.gz HGJAVMLAHQASRB-UHFFFAOYSA-N 0 0 434.586 5.724 40 0 IKABRN NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccc(Cl)cc1 ZINC000015441321 556528458 /nfs/dbraw/zinc/52/84/58/556528458.db2.gz XOIKSZAMNBMOQQ-UHFFFAOYSA-N 0 0 435.361 5.033 40 0 IKABRN CC(C)c1ccc(O)c(Cc2cc(C(C)C)cc(CC3CC(C(C)C)=C=CC3=O)c2O)c1 ZINC000032067772 556528483 /nfs/dbraw/zinc/52/84/83/556528483.db2.gz YTLVEQYDQLXQMU-UHFFFAOYSA-N 0 0 432.604 7.431 40 0 IKABRN O=C(Nc1cccc2ccccc21)c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000013590164 556529062 /nfs/dbraw/zinc/52/90/62/556529062.db2.gz IJMAMLXJXBWGLC-UHFFFAOYSA-N 0 0 435.310 6.651 40 0 IKABRN O=C1NC(=S)SC1=Cc1cn(CCCOc2ccc(Cl)cc2)c2ccccc12 ZINC000032109560 556530003 /nfs/dbraw/zinc/53/00/03/556530003.db2.gz PPPDRMYWVKHNBJ-UNOMPAQXSA-N 0 0 428.966 6.093 40 0 IKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc5ccccc5c4)c3)nc2c1 ZINC000032109336 556530014 /nfs/dbraw/zinc/53/00/14/556530014.db2.gz BHZAORPEPTZQKH-UHFFFAOYSA-N 0 0 442.902 6.627 40 0 IKABRN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1Br ZINC000032109676 556530325 /nfs/dbraw/zinc/53/03/25/556530325.db2.gz KNSOWXYIOIWVTG-UHFFFAOYSA-N 0 0 437.293 5.827 40 0 IKABRN COc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000032109893 556530366 /nfs/dbraw/zinc/53/03/66/556530366.db2.gz UMZYIQZSPYBPSH-UHFFFAOYSA-N 0 0 440.584 6.182 40 0 IKABRN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccc2ccccc21 ZINC000032114444 556530937 /nfs/dbraw/zinc/53/09/37/556530937.db2.gz HWRWKIMASUEBGJ-UHFFFAOYSA-N 0 0 448.909 7.707 40 0 IKABRN Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114727 556531154 /nfs/dbraw/zinc/53/11/54/556531154.db2.gz YBPFQBZCWFESJQ-UHFFFAOYSA-N 0 0 426.516 6.543 40 0 IKABRN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 ZINC000032114760 556531178 /nfs/dbraw/zinc/53/11/78/556531178.db2.gz MNMPVRUWQIOFES-UHFFFAOYSA-N 0 0 442.849 6.006 40 0 IKABRN CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115009 556531207 /nfs/dbraw/zinc/53/12/07/556531207.db2.gz CWWRURWEUMKDNK-UHFFFAOYSA-N 0 0 437.899 5.820 40 0 IKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c(C)c1 ZINC000032115029 556531534 /nfs/dbraw/zinc/53/15/34/556531534.db2.gz AYXQULGVELPBSF-UHFFFAOYSA-N 0 0 442.849 6.061 40 0 IKABRN CC(C)(C)Oc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000032115754 556531810 /nfs/dbraw/zinc/53/18/10/556531810.db2.gz KFFQQIOYUWLFSH-UHFFFAOYSA-N 0 0 428.557 6.907 40 0 IKABRN CCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)CCCC)c(OC)c2)cc1 ZINC000032115491 556531819 /nfs/dbraw/zinc/53/18/19/556531819.db2.gz LSRGXUSBVPHSGO-UHFFFAOYSA-N 0 0 426.557 6.035 40 0 IKABRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cccc2ccccc21 ZINC000032115445 556531834 /nfs/dbraw/zinc/53/18/34/556531834.db2.gz ODPGGLHCBONIND-UHFFFAOYSA-N 0 0 434.829 6.832 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccccc4)ccc3o2)cc1C ZINC000032116375 556532086 /nfs/dbraw/zinc/53/20/86/556532086.db2.gz MTZXOWVJYLJPEZ-UKTHLTGXSA-N 0 0 427.529 5.638 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3o2)cc1C ZINC000032116508 556532146 /nfs/dbraw/zinc/53/21/46/556532146.db2.gz KROXWUVVXPTJRL-UHFFFAOYSA-N 0 0 432.523 6.882 40 0 IKABRN CCCCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000032116651 556532401 /nfs/dbraw/zinc/53/24/01/556532401.db2.gz ZIVOICKCLKNXHH-UHFFFAOYSA-N 0 0 442.559 7.323 40 0 IKABRN Cc1cccc(OCC(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000032116599 556532406 /nfs/dbraw/zinc/53/24/06/556532406.db2.gz UYJVEOVLYZIGMB-UHFFFAOYSA-N 0 0 445.544 5.312 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4C)ccc3o2)cc1C ZINC000032116604 556532419 /nfs/dbraw/zinc/53/24/19/556532419.db2.gz QCKIERQOLIJEHV-UHFFFAOYSA-N 0 0 445.544 5.312 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3o2)cc1C ZINC000032116585 556532453 /nfs/dbraw/zinc/53/24/53/556532453.db2.gz GEKWMEUYCJRABK-UHFFFAOYSA-N 0 0 441.512 5.985 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c(Cl)c1 ZINC000032116611 556532493 /nfs/dbraw/zinc/53/24/93/556532493.db2.gz PSJYAPUDDNJXAE-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN CCCCc1ccc2nc(NC(=O)c3ccc(I)cc3)sc2c1 ZINC000032118812 556533016 /nfs/dbraw/zinc/53/30/16/556533016.db2.gz YNEZVZYTNUWRNI-UHFFFAOYSA-N 0 0 436.318 5.496 40 0 IKABRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cccc2c(Br)cccc12 ZINC000032118915 556533019 /nfs/dbraw/zinc/53/30/19/556533019.db2.gz KFFALYIMXTZTNM-UHFFFAOYSA-N 0 0 443.410 5.031 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 ZINC000032124637 556533437 /nfs/dbraw/zinc/53/34/37/556533437.db2.gz SRNYUXMQFKWPPR-UHFFFAOYSA-N 0 0 446.503 5.183 40 0 IKABRN O=C(OCc1ccc(I)cc1)c1ccccc1Nc1ccccc1 ZINC000032124963 556534020 /nfs/dbraw/zinc/53/40/20/556534020.db2.gz FSIHSYJCXOXZBZ-UHFFFAOYSA-N 0 0 429.257 5.392 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3)sc2c1 ZINC000032125269 556534598 /nfs/dbraw/zinc/53/45/98/556534598.db2.gz KQWZQSHRFYWWNM-UHFFFAOYSA-N 0 0 431.586 6.015 40 0 IKABRN NC(=O)c1c(NC(=O)c2cccc3c(Br)cccc23)sc2c1CCCCC2 ZINC000032125209 556534612 /nfs/dbraw/zinc/53/46/12/556534612.db2.gz XEWBVEUEJNBASK-UHFFFAOYSA-N 0 0 443.366 5.284 40 0 IKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000032125438 556535174 /nfs/dbraw/zinc/53/51/74/556535174.db2.gz QCJXJNJYEKHDLZ-UHFFFAOYSA-N 0 0 433.577 5.212 40 0 IKABRN O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1cccs1 ZINC000032126501 556535421 /nfs/dbraw/zinc/53/54/21/556535421.db2.gz SNUZRMPUEXGDAF-UHFFFAOYSA-N 0 0 429.526 5.836 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000032126457 556535484 /nfs/dbraw/zinc/53/54/84/556535484.db2.gz RSTKEBBTIIIMSJ-UHFFFAOYSA-N 0 0 435.376 6.668 40 0 IKABRN COc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1OC ZINC000015578910 556535533 /nfs/dbraw/zinc/53/55/33/556535533.db2.gz IFMASUMOYWGHNM-UHFFFAOYSA-N 0 0 445.475 5.117 40 0 IKABRN O=C(COc1ccc(Br)cc1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000032126846 556535754 /nfs/dbraw/zinc/53/57/54/556535754.db2.gz ZAMJLXWFTBTHNZ-UHFFFAOYSA-N 0 0 432.126 5.383 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1 ZINC000032127265 556535973 /nfs/dbraw/zinc/53/59/73/556535973.db2.gz DOWCAYFIEOFRDG-UHFFFAOYSA-N 0 0 437.524 6.083 40 0 IKABRN Cc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000032127051 556535994 /nfs/dbraw/zinc/53/59/94/556535994.db2.gz KRXHKPKZMQMCNP-UHFFFAOYSA-N 0 0 437.524 6.083 40 0 IKABRN Cc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c1 ZINC000032126970 556536044 /nfs/dbraw/zinc/53/60/44/556536044.db2.gz VPXZOYQWBXBDOW-UHFFFAOYSA-N 0 0 437.524 6.083 40 0 IKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nn12 ZINC000032127477 556536382 /nfs/dbraw/zinc/53/63/82/556536382.db2.gz NEKKRIMBDCZXPL-UHFFFAOYSA-N 0 0 425.517 5.389 40 0 IKABRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1cccc(I)c1 ZINC000032127475 556536402 /nfs/dbraw/zinc/53/64/02/556536402.db2.gz CPNUDZDSSUNEJU-UHFFFAOYSA-N 0 0 449.100 5.460 40 0 IKABRN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc(Cl)cc1Cl ZINC000032127609 556536600 /nfs/dbraw/zinc/53/66/00/556536600.db2.gz JKFMFTXGXMYNJI-UHFFFAOYSA-N 0 0 433.294 7.207 40 0 IKABRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1cc(Br)ccc1Cl ZINC000032127820 556536857 /nfs/dbraw/zinc/53/68/57/556536857.db2.gz VGNSILJXBVJKGB-UHFFFAOYSA-N 0 0 436.545 6.271 40 0 IKABRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000032127971 556536884 /nfs/dbraw/zinc/53/68/84/556536884.db2.gz QHFXLVGNLDFZPZ-UHFFFAOYSA-N 0 0 439.924 5.299 40 0 IKABRN O=C1O[C@@H](c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CCc2ccccc21 ZINC000067665211 556537754 /nfs/dbraw/zinc/53/77/54/556537754.db2.gz QARHRYVEXSEWAF-PVBLUSGHSA-N 0 0 425.915 6.903 40 0 in-vitro IKABRN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628232 556538012 /nfs/dbraw/zinc/53/80/12/556538012.db2.gz DJYZBPSNOZSGHB-LJQANCHMSA-N 0 0 430.548 5.951 40 0 IKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628252 556538025 /nfs/dbraw/zinc/53/80/25/556538025.db2.gz MKRAVKSONOYDCB-XMMPIXPASA-N 0 0 444.575 6.341 40 0 IKABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628315 556538060 /nfs/dbraw/zinc/53/80/60/556538060.db2.gz SDLGSPIDNZTRTR-VWLOTQADSA-N 0 0 444.575 6.341 40 0 IKABRN O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 ZINC000013634423 556540227 /nfs/dbraw/zinc/54/02/27/556540227.db2.gz QDMMUPORYZGJSW-ZDUSSCGKSA-N 0 0 426.954 5.044 40 0 IKABRN Cc1nn2c(nnc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1cccc2ccccc21 ZINC000013635670 556541293 /nfs/dbraw/zinc/54/12/93/556541293.db2.gz QHRGRZQTXMWXIE-UHFFFAOYSA-N 0 0 427.895 5.467 40 0 IKABRN O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCc2ccccc21 ZINC000013669764 556550736 /nfs/dbraw/zinc/55/07/36/556550736.db2.gz RVYGYGCXWYNAFW-MHZLTWQESA-N 0 0 442.584 5.096 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1OC(C)=O ZINC000214841325 556551439 /nfs/dbraw/zinc/55/14/39/556551439.db2.gz MDZHTGFGUOHBPQ-OEAKJJBVSA-N 0 0 447.512 5.400 40 0 IKABRN CCOc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 ZINC000013671530 556552313 /nfs/dbraw/zinc/55/23/13/556552313.db2.gz PDLAXSYFXANGON-AREMUKBSSA-N 0 0 446.572 5.154 40 0 IKABRN CCOc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 ZINC000013671528 556552340 /nfs/dbraw/zinc/55/23/40/556552340.db2.gz PDLAXSYFXANGON-SANMLTNESA-N 0 0 446.572 5.154 40 0 IKABRN CCCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2cc(C)ccc2C(C)C)N1 ZINC000408953575 556552896 /nfs/dbraw/zinc/55/28/96/556552896.db2.gz MDSSHBYGCKDBGW-NRFANRHFSA-N 0 0 428.495 5.307 40 0 IKABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000013673086 556553382 /nfs/dbraw/zinc/55/33/82/556553382.db2.gz IXDNXABBLIWYEW-UHFFFAOYSA-N 0 0 446.981 5.256 40 0 IKABRN O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000013677100 556554820 /nfs/dbraw/zinc/55/48/20/556554820.db2.gz POKOTDQMSHEPFZ-UHFFFAOYSA-N 0 0 442.540 5.754 40 0 IKABRN C[C@@H]1CCCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@H]3[C@H]2c2cccs2)C1 ZINC000034896155 556586080 /nfs/dbraw/zinc/58/60/80/556586080.db2.gz MZIWRSXHNVMYEY-BUORGSTGSA-N 0 0 439.650 5.665 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 ZINC000016161908 556586245 /nfs/dbraw/zinc/58/62/45/556586245.db2.gz AEOXCYDJGFQICL-GTWFGUSFSA-N 0 0 430.573 5.736 40 0 IKABRN CN(CCCNC(=O)Nc1cccc2ccccc21)C(=O)Nc1cccc2ccccc21 ZINC000016188515 556588171 /nfs/dbraw/zinc/58/81/71/556588171.db2.gz LHUOAMUFIIYLMH-UHFFFAOYSA-N 0 0 426.520 5.669 40 0 IKABRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(F)cc1Cl ZINC000016214752 556591430 /nfs/dbraw/zinc/59/14/30/556591430.db2.gz ODWYTGSOXZSCRH-UHFFFAOYSA-N 0 0 429.875 5.055 40 0 IKABRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214720 556591435 /nfs/dbraw/zinc/59/14/35/556591435.db2.gz SFSMPUJEKFNFKI-UHFFFAOYSA-N 0 0 446.330 5.569 40 0 IKABRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1Br ZINC000016226701 556592809 /nfs/dbraw/zinc/59/28/09/556592809.db2.gz MLROLGZURQYNBG-UHFFFAOYSA-N 0 0 441.350 5.252 40 0 IKABRN COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000016227022 556593093 /nfs/dbraw/zinc/59/30/93/556593093.db2.gz HTBUXERQMXJESL-UHFFFAOYSA-N 0 0 445.306 6.290 40 0 IKABRN COc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000016227025 556593114 /nfs/dbraw/zinc/59/31/14/556593114.db2.gz DCTPPMYEARDZLL-UHFFFAOYSA-N 0 0 445.306 6.290 40 0 IKABRN COc1ccc(C(=O)c2sc3nc(C45CC6CC(CC(C6)C4)C5)ccc3c2N)cc1OC ZINC000016227224 556593150 /nfs/dbraw/zinc/59/31/50/556593150.db2.gz LKSFVJLRVDSIDF-UHFFFAOYSA-N 0 0 448.588 5.595 40 0 IKABRN Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1)[C@@H]1CCCC=C1[NH+]1CCCCC1 ZINC000016249389 556594493 /nfs/dbraw/zinc/59/44/93/556594493.db2.gz KRZMLUCWKMLMMF-SHQCIBLASA-N 0 0 427.592 6.188 40 0 IKABRN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000036293387 556596378 /nfs/dbraw/zinc/59/63/78/556596378.db2.gz OQMITCWYAFCNMM-UHFFFAOYSA-N 0 0 446.862 5.850 40 0 IKABRN Cc1cc(NC(=O)Nc2ccc(F)cc2F)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000016282440 556596687 /nfs/dbraw/zinc/59/66/87/556596687.db2.gz PPKQZLKOJRQHHV-UHFFFAOYSA-N 0 0 441.821 5.371 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)nc2cc1Cl ZINC000016284231 556596999 /nfs/dbraw/zinc/59/69/99/556596999.db2.gz WBBZRCFBQXCZBP-RMKNXTFCSA-N 0 0 429.998 5.908 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)nc2cc1Cl ZINC000016284321 556597205 /nfs/dbraw/zinc/59/72/05/556597205.db2.gz WWPIIJXUMKMREP-UHFFFAOYSA-N 0 0 430.769 5.692 40 0 IKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)COc1ccc(Cl)cc1 ZINC000016284361 556597211 /nfs/dbraw/zinc/59/72/11/556597211.db2.gz IKFMOZDYLXGTQQ-UHFFFAOYSA-N 0 0 442.906 5.553 40 0 IKABRN COc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1Cl ZINC000016284420 556597238 /nfs/dbraw/zinc/59/72/38/556597238.db2.gz XKCUPYRCQYGHHK-UHFFFAOYSA-N 0 0 442.906 5.796 40 0 IKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(Br)cc3)nc2cc1Cl ZINC000016284288 556597251 /nfs/dbraw/zinc/59/72/51/556597251.db2.gz KLBDMFUIRVOYIZ-UHFFFAOYSA-N 0 0 440.775 5.147 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000036610875 556598454 /nfs/dbraw/zinc/59/84/54/556598454.db2.gz TWKMCDHWTSQHIJ-XEWWANBBSA-N 0 0 442.640 6.922 40 0 IKABRN Cc1ccc(C(=O)C[C@@H](Sc2cccc(Cl)c2Cl)c2ccc(Cl)cc2)cc1C ZINC000016311917 556599803 /nfs/dbraw/zinc/59/98/03/556599803.db2.gz YOYGQQHSMZPWOZ-JOCHJYFZSA-N 0 0 449.830 8.370 40 0 IKABRN CC(C)(NC(=O)NC1CCCCC1)c1cccc(C(C)(C)NC(=O)NC2CCCCC2)c1 ZINC000016323356 556600864 /nfs/dbraw/zinc/60/08/64/556600864.db2.gz YWEMKJUOVDQMNL-UHFFFAOYSA-N 0 0 442.648 5.421 40 0 IKABRN COc1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccc(C)cc21 ZINC000016348256 556601870 /nfs/dbraw/zinc/60/18/70/556601870.db2.gz KWZKYCFLLQEDOM-UHFFFAOYSA-N 0 0 426.472 5.242 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000016362257 556602862 /nfs/dbraw/zinc/60/28/62/556602862.db2.gz LDJQZTQVGZLSSB-UHFFFAOYSA-N 0 0 428.598 5.081 40 0 IKABRN Cc1cccc2c(C(=O)Nc3ccc(Cl)cc3)cc(-c3ccc4c(c3)OCCO4)nc12 ZINC000016362494 556603065 /nfs/dbraw/zinc/60/30/65/556603065.db2.gz ZOWPIQRDVGTRDK-UHFFFAOYSA-N 0 0 430.891 5.887 40 0 IKABRN COc1ccc(/C=C2\N=C(c3sc4c(ccc(OC)c4Cl)c3Cl)OC2=O)cc1 ZINC000408972275 556603572 /nfs/dbraw/zinc/60/35/72/556603572.db2.gz OSCHHYBDZSHWSC-LCYFTJDESA-N 0 0 434.300 5.570 40 0 IKABRN C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000037613817 556605014 /nfs/dbraw/zinc/60/50/14/556605014.db2.gz DHPABJAAWYDUQJ-JPYYHWIRSA-N 0 0 427.931 5.973 40 0 IKABRN C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000037613819 556605059 /nfs/dbraw/zinc/60/50/59/556605059.db2.gz DHPABJAAWYDUQJ-ANNHOSHMSA-N 0 0 427.931 5.973 40 0 IKABRN C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000037613820 556605104 /nfs/dbraw/zinc/60/51/04/556605104.db2.gz DHPABJAAWYDUQJ-UDFVPUEDSA-N 0 0 427.931 5.973 40 0 IKABRN COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000408972479 556605558 /nfs/dbraw/zinc/60/55/58/556605558.db2.gz CNINXLSRQIXFAH-CAOOACKPSA-N 0 0 439.320 5.117 40 0 IKABRN O=C(NCc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1 ZINC000016401520 556605936 /nfs/dbraw/zinc/60/59/36/556605936.db2.gz FIKNVNRLFQDRSO-UHFFFAOYSA-N 0 0 443.334 5.637 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000016428432 556607019 /nfs/dbraw/zinc/60/70/19/556607019.db2.gz XPOCNKSODGDVET-UHFFFAOYSA-N 0 0 449.725 6.935 40 0 IKABRN Clc1ccc2oc(-c3cnc(Nc4ccc(I)cc4)nc3)nc2c1 ZINC000016428726 556607060 /nfs/dbraw/zinc/60/70/60/556607060.db2.gz LLKCIMMDRLCLGY-UHFFFAOYSA-N 0 0 448.651 5.286 40 0 IKABRN O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccc(N2CCOCC2)cc1 ZINC000016429655 556607273 /nfs/dbraw/zinc/60/72/73/556607273.db2.gz YIKKAYAFCDMWSW-UHFFFAOYSA-N 0 0 445.997 5.031 40 0 IKABRN O=C(NCc1ccccc1NC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000016449597 556609290 /nfs/dbraw/zinc/60/92/90/556609290.db2.gz FTWPUHLIIQGCKB-UHFFFAOYSA-N 0 0 429.307 5.959 40 0 IKABRN Nc1c(Br)cc(-c2nc3c([nH]2)c(Cl)ccc3Cl)cc1Br ZINC000073634762 556610302 /nfs/dbraw/zinc/61/03/02/556610302.db2.gz USXOBSYMHUVIFS-UHFFFAOYSA-N 0 0 435.934 5.644 40 0 IKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000408972730 556610728 /nfs/dbraw/zinc/61/07/28/556610728.db2.gz VVBVWRHDNPKTST-UHFFFAOYSA-N 0 0 445.268 5.503 40 0 IKABRN c1ccc(C2=NN(c3ccccc3)[C@]3(NN=C(c4ccccc4)c4ccccc43)S2)cc1 ZINC000016478079 556610939 /nfs/dbraw/zinc/61/09/39/556610939.db2.gz LUPVPOWUSCDGSU-MHZLTWQESA-N 0 0 432.552 5.768 40 0 IKABRN O=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000016477307 556610974 /nfs/dbraw/zinc/61/09/74/556610974.db2.gz FOJZLNSBARGTIK-DEOSSOPVSA-N 0 0 439.386 6.130 40 0 IKABRN Brc1ccc(-n2nnnc2/C=C/N(Cc2ccccc2)c2ccccc2)cc1 ZINC000016479423 556611188 /nfs/dbraw/zinc/61/11/88/556611188.db2.gz YPMOIUZSGGVDQB-FOCLMDBBSA-N 0 0 432.325 5.102 40 0 IKABRN O=C([O-])c1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000016480555 556611422 /nfs/dbraw/zinc/61/14/22/556611422.db2.gz VIWZMBMNXXTDOC-UHFFFAOYSA-N 0 0 426.310 5.016 40 0 IKABRN O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2c(Cl)cccc2Cl)C1 ZINC000016488732 556612091 /nfs/dbraw/zinc/61/20/91/556612091.db2.gz SIGDPCABXDNEFD-NRFANRHFSA-N 0 0 435.310 6.456 40 0 IKABRN Cc1cccc(-n2c(O)c3c(c2O)[C@H](c2cccc4ccccc42)N(c2ccccc2)O3)c1 ZINC000100933970 556612097 /nfs/dbraw/zinc/61/20/97/556612097.db2.gz VCKMBHWNGBOGEH-ZNZIZOMTSA-N 0 0 434.495 5.199 40 0 IKABRN O=C([O-])c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1O ZINC000016492569 556612532 /nfs/dbraw/zinc/61/25/32/556612532.db2.gz WNLVPYYESHBXIV-UHFFFAOYSA-O 0 0 444.510 6.368 40 0 IKABRN Nc1ccc(C2=CSc3nnc(-n4nc(-c5ccccc5)cc4-c4ccccc4)n3N2)cc1 ZINC000016492687 556612569 /nfs/dbraw/zinc/61/25/69/556612569.db2.gz XWLSWGNIEMFSNS-UHFFFAOYSA-N 0 0 449.543 5.028 40 0 IKABRN c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)o2)cc1 ZINC000016493643 556612794 /nfs/dbraw/zinc/61/27/94/556612794.db2.gz GZQGJXRQLBNBMX-UHFFFAOYSA-N 0 0 442.478 6.788 40 0 IKABRN Fc1ccccc1Nc1nc(Oc2ccccc2Cl)nc(N2CCc3ccccc3C2)n1 ZINC000016524825 556614031 /nfs/dbraw/zinc/61/40/31/556614031.db2.gz KRSJVERLLNMVGV-UHFFFAOYSA-N 0 0 447.901 5.763 40 0 IKABRN Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000100945539 556615054 /nfs/dbraw/zinc/61/50/54/556615054.db2.gz CKHWGQAGHQQPTC-CYXNTTPDSA-N 0 0 434.495 5.199 40 0 IKABRN CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000038752774 556616136 /nfs/dbraw/zinc/61/61/36/556616136.db2.gz LTHDLUARABGEPQ-UHFFFAOYSA-N 0 0 446.981 5.505 40 0 IKABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000038753412 556616411 /nfs/dbraw/zinc/61/64/11/556616411.db2.gz NZGBBLVAWNMDIC-QGZVFWFLSA-N 0 0 435.951 6.275 40 0 IKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000038754056 556616723 /nfs/dbraw/zinc/61/67/23/556616723.db2.gz QPPWZAPARASNCH-RUZDIDTESA-N 0 0 430.548 5.652 40 0 IKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000038753753 556616749 /nfs/dbraw/zinc/61/67/49/556616749.db2.gz WOHVYMVIUMXVPL-VWLOTQADSA-N 0 0 443.930 6.520 40 0 IKABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1 ZINC000038754701 556616952 /nfs/dbraw/zinc/61/69/52/556616952.db2.gz HXTBEXBISSGHMG-LJAQVGFWSA-N 0 0 432.567 6.077 40 0 IKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 ZINC000016609883 556617282 /nfs/dbraw/zinc/61/72/82/556617282.db2.gz VSVOXZHMEORVKO-QPJJXVBHSA-N 0 0 427.715 5.656 40 0 IKABRN CCC(=O)Oc1c(C)cc(/C=C2\N=C(c3ccc(Br)c(C)c3)OC2=O)cc1C ZINC000016609989 556617598 /nfs/dbraw/zinc/61/75/98/556617598.db2.gz MPJLASSPFJNETR-WQRHYEAKSA-N 0 0 442.309 5.034 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c(Cl)c4)c3)nc2c1 ZINC000016610800 556617784 /nfs/dbraw/zinc/61/77/84/556617784.db2.gz DOMFMCIZBZRQQJ-HNNXBMFYSA-N 0 0 434.923 6.923 40 0 IKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000038755630 556617798 /nfs/dbraw/zinc/61/77/98/556617798.db2.gz UDVQAFWIJUTSCV-ZDUSSCGKSA-N 0 0 425.381 5.394 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(O[C@@H](C)CC)c4)c3)nc2c1 ZINC000016610894 556617884 /nfs/dbraw/zinc/61/78/84/556617884.db2.gz MOMYWCZATVTTRB-MOPGFXCFSA-N 0 0 442.559 7.438 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(F)c4)c3)nc2c1 ZINC000016611197 556618062 /nfs/dbraw/zinc/61/80/62/556618062.db2.gz ONPWGFKULIPBJY-HNNXBMFYSA-N 0 0 447.535 6.274 40 0 IKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccs4)c3)nc2c1 ZINC000016611267 556618088 /nfs/dbraw/zinc/61/80/88/556618088.db2.gz OTGDNAOMXWLUHB-AWEZNQCLSA-N 0 0 435.574 6.197 40 0 IKABRN CC[C@H](CCNC(=O)Nc1cccc2ccccc21)NC(=O)Nc1cccc2ccccc21 ZINC000016611319 556618140 /nfs/dbraw/zinc/61/81/40/556618140.db2.gz QHEVJILSNLAUDD-OAQYLSRUSA-N 0 0 440.547 6.105 40 0 IKABRN CCc1ccc(OCC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)c(Br)c1 ZINC000038756610 556618291 /nfs/dbraw/zinc/61/82/91/556618291.db2.gz ALNVBDHADZTULH-HXUWFJFHSA-N 0 0 434.374 5.303 40 0 IKABRN COc1ccc(S[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000038756457 556618356 /nfs/dbraw/zinc/61/83/56/556618356.db2.gz RWXJEMOHNLUBTR-GOSISDBHSA-N 0 0 447.600 6.343 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)c1C ZINC000038757305 556618629 /nfs/dbraw/zinc/61/86/29/556618629.db2.gz LYSKPXKNUWHMTJ-DEOSSOPVSA-N 0 0 448.588 5.220 40 0 IKABRN CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 ZINC000016639233 556619756 /nfs/dbraw/zinc/61/97/56/556619756.db2.gz XPXOWJGCZGQOPL-LJQANCHMSA-N 0 0 442.559 7.440 40 0 IKABRN COc1ccc(NC(=O)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 ZINC000408975640 556619739 /nfs/dbraw/zinc/61/97/39/556619739.db2.gz BROSPLAREIRPLT-UHFFFAOYSA-N 0 0 448.486 5.406 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038834480 556622469 /nfs/dbraw/zinc/62/24/69/556622469.db2.gz XZGYZPKVSBYMDG-UHFFFAOYSA-N 0 0 435.351 5.021 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038834481 556622507 /nfs/dbraw/zinc/62/25/07/556622507.db2.gz CKBAWJXWXRAHCM-UHFFFAOYSA-N 0 0 435.351 5.021 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834464 556622525 /nfs/dbraw/zinc/62/25/25/556622525.db2.gz XFBXTOXHJPQRLW-QGZVFWFLSA-N 0 0 435.351 5.021 40 0 IKABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038834699 556622830 /nfs/dbraw/zinc/62/28/30/556622830.db2.gz HFOJDGCMNXHJMC-CQSZACIVSA-N 0 0 431.285 5.863 40 0 IKABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038834704 556622836 /nfs/dbraw/zinc/62/28/36/556622836.db2.gz BDQNHVRDWUVXHN-ZDUSSCGKSA-N 0 0 431.285 5.863 40 0 IKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038835026 556623035 /nfs/dbraw/zinc/62/30/35/556623035.db2.gz GBATZIKGQOUOOG-UHFFFAOYSA-N 0 0 432.178 6.151 40 0 IKABRN Cc1ccc(SCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038836691 556623422 /nfs/dbraw/zinc/62/34/22/556623422.db2.gz FRGJSMUDFMYGBJ-UHFFFAOYSA-N 0 0 437.436 5.422 40 0 IKABRN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000016681520 556623783 /nfs/dbraw/zinc/62/37/83/556623783.db2.gz NTBFIYGZDBCXJY-XBXARRHUSA-N 0 0 438.786 5.441 40 0 IKABRN CCN1CCN(c2ccc(NC(=O)C(C)(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000016681521 556623805 /nfs/dbraw/zinc/62/38/05/556623805.db2.gz GQFSNSLLHFWING-UHFFFAOYSA-N 0 0 448.010 5.427 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849403 556624059 /nfs/dbraw/zinc/62/40/59/556624059.db2.gz SOYQMHHSBQYTGN-UHFFFAOYSA-N 0 0 427.759 5.506 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849387 556624062 /nfs/dbraw/zinc/62/40/62/556624062.db2.gz DNMHERDPYSCEKT-CQSZACIVSA-N 0 0 427.759 5.506 40 0 IKABRN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038850219 556624450 /nfs/dbraw/zinc/62/44/50/556624450.db2.gz UCIGWOILPRCNSH-CQSZACIVSA-N 0 0 427.759 5.506 40 0 IKABRN CCOC(=O)c1c2ccccc2sc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000016687740 556625416 /nfs/dbraw/zinc/62/54/16/556625416.db2.gz JAOPHAIVFJKEPZ-UHFFFAOYSA-N 0 0 434.542 5.358 40 0 IKABRN CCOc1cc(CNCc2ccccn2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688506 556626323 /nfs/dbraw/zinc/62/63/23/556626323.db2.gz VPPUWWYTRLUXEJ-UHFFFAOYSA-N 0 0 445.332 5.251 40 0 IKABRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100961974 556629568 /nfs/dbraw/zinc/62/95/68/556629568.db2.gz SBXXZWYDZDXGMP-GSDHBNRESA-N 0 0 434.495 5.199 40 0 IKABRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3CC[C@@]2(O)C1 ZINC000039614131 556629777 /nfs/dbraw/zinc/62/97/77/556629777.db2.gz XGBHFLNWQIPOQW-JNDVAAQDSA-N 0 0 446.716 7.154 40 0 IKABRN COc1ccccc1NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000039852334 556630044 /nfs/dbraw/zinc/63/00/44/556630044.db2.gz URAXGKIMOWZHKQ-UHFFFAOYSA-N 0 0 443.450 5.881 40 0 IKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1ccc(F)cc1F ZINC000016713341 556630482 /nfs/dbraw/zinc/63/04/82/556630482.db2.gz RVTKJVAJYQPCOK-UHFFFAOYSA-N 0 0 447.919 6.021 40 0 IKABRN Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)cc1 ZINC000408977445 556630491 /nfs/dbraw/zinc/63/04/91/556630491.db2.gz DKVMMMAFDJFUAR-XMMPIXPASA-N 0 0 436.577 5.167 40 0 IKABRN O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccccc1C(F)(F)F ZINC000016713053 556630534 /nfs/dbraw/zinc/63/05/34/556630534.db2.gz REVNIJXODSMAPF-YKYHQJSKSA-N 0 0 446.450 5.327 40 0 IKABRN Cc1cc(C)c(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000101001554 556634743 /nfs/dbraw/zinc/63/47/43/556634743.db2.gz MCAJYCWBANOJCU-JRFVFWCSSA-N 0 0 446.934 5.316 40 0 IKABRN CCc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)cc1 ZINC000040385035 556635500 /nfs/dbraw/zinc/63/55/00/556635500.db2.gz VMFXCCXLLDNXPZ-UHFFFAOYSA-N 0 0 433.943 5.691 40 0 IKABRN Cc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)cc1C ZINC000040385090 556635714 /nfs/dbraw/zinc/63/57/14/556635714.db2.gz WRQWQJPWTBEHRG-UHFFFAOYSA-N 0 0 433.943 5.746 40 0 IKABRN C[C@@H]1Cc2ccccc2N1c1nc2ncn(-c3ccc4ccccc4c3)c(=S)c2c(=O)[nH]1 ZINC000040385809 556636066 /nfs/dbraw/zinc/63/60/66/556636066.db2.gz MJMIFCGBASSJGB-OAHLLOKOSA-N 0 0 437.528 5.074 40 0 IKABRN CCc1nn2c(ncc3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c1-c1ccc(F)cc1 ZINC000040396732 556639176 /nfs/dbraw/zinc/63/91/76/556639176.db2.gz ZOCSZTYULSNEOC-UHFFFAOYSA-N 0 0 432.886 5.114 40 0 IKABRN C[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)c1ccccc1 ZINC000016757861 556639476 /nfs/dbraw/zinc/63/94/76/556639476.db2.gz HTUDZTFPVVNFNX-SFHVURJKSA-N 0 0 441.987 7.594 40 0 IKABRN CCc1nn2c(ncc3c2ccn(Cc2ccc(Cl)cc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397429 556639570 /nfs/dbraw/zinc/63/95/70/556639570.db2.gz CMGQEIDDLPDWGE-UHFFFAOYSA-N 0 0 449.341 5.629 40 0 IKABRN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccccc2)cc1 ZINC000016757863 556639624 /nfs/dbraw/zinc/63/96/24/556639624.db2.gz WHUGTDJKEKKOMR-UHFFFAOYSA-N 0 0 427.960 7.033 40 0 IKABRN COCc1nn2c(ncc3c2ccn(C2CCCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397807 556639737 /nfs/dbraw/zinc/63/97/37/556639737.db2.gz ZKOFLIDHURJQBC-UHFFFAOYSA-N 0 0 436.943 5.406 40 0 IKABRN CC(C)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757973 556639863 /nfs/dbraw/zinc/63/98/63/556639863.db2.gz PRQYUGJGDCSSQI-UHFFFAOYSA-N 0 0 438.394 6.598 40 0 IKABRN CC(C)N(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000016768334 556640157 /nfs/dbraw/zinc/64/01/57/556640157.db2.gz PQWOJXWEZXWYCX-UHFFFAOYSA-N 0 0 436.534 6.642 40 0 IKABRN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(C)Cc2ccccc2)cc1 ZINC000016768370 556640186 /nfs/dbraw/zinc/64/01/86/556640186.db2.gz VUSKJKYLOYNAHS-UHFFFAOYSA-N 0 0 434.543 6.123 40 0 IKABRN CCOc1ccccc1CN(C(=O)Nc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000016769817 556640350 /nfs/dbraw/zinc/64/03/50/556640350.db2.gz GSSCUXIHNQYMBG-UHFFFAOYSA-N 0 0 439.947 5.295 40 0 IKABRN Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@@H](Sc2ccccc2)CS1 ZINC000016779184 556641028 /nfs/dbraw/zinc/64/10/28/556641028.db2.gz FPHWAICXXZYOFX-AZUAARDMSA-N 0 0 436.627 5.931 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(c2ccc(Cl)cc2)=Nc2ccccc2S1 ZINC000016779100 556641084 /nfs/dbraw/zinc/64/10/84/556641084.db2.gz XTPHKPKSMOMRRV-NRFANRHFSA-N 0 0 427.356 6.617 40 0 IKABRN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)c(Cl)cc4C)cc3)sc2c1 ZINC000016780482 556641690 /nfs/dbraw/zinc/64/16/90/556641690.db2.gz BWAVCVJDLPCMCO-UHFFFAOYSA-N 0 0 442.993 6.343 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2cccc(C)c2)cc1 ZINC000016788942 556641955 /nfs/dbraw/zinc/64/19/55/556641955.db2.gz DDXMJJOCTGEZBF-UHFFFAOYSA-N 0 0 446.551 5.729 40 0 IKABRN CC(C)(C)c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 ZINC000016789093 556642155 /nfs/dbraw/zinc/64/21/55/556642155.db2.gz VOHBTPNKVNVVHC-UHFFFAOYSA-N 0 0 439.588 6.400 40 0 IKABRN Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000016789087 556642187 /nfs/dbraw/zinc/64/21/87/556642187.db2.gz PXWWQLNMUKXXOP-UHFFFAOYSA-N 0 0 441.600 6.422 40 0 IKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)Nc1ccccc1F ZINC000016789179 556642196 /nfs/dbraw/zinc/64/21/96/556642196.db2.gz HNSPEBBRMWMMEQ-UHFFFAOYSA-N 0 0 438.915 5.458 40 0 IKABRN Fc1cccc(F)c1CSc1nnc(Cc2cccs2)n1-c1ccc(Cl)cc1 ZINC000016789603 556642480 /nfs/dbraw/zinc/64/24/80/556642480.db2.gz CHXVUFAVBNZLEJ-UHFFFAOYSA-N 0 0 433.936 6.144 40 0 IKABRN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)c1ccccc1Cl ZINC000016789450 556642486 /nfs/dbraw/zinc/64/24/86/556642486.db2.gz ICKJZEKUULLUGK-UHFFFAOYSA-N 0 0 441.343 5.611 40 0 IKABRN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000016807638 556644422 /nfs/dbraw/zinc/64/44/22/556644422.db2.gz SFHLRMPNMFQXKA-UHFFFAOYSA-N 0 0 446.572 5.868 40 0 IKABRN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000016807616 556644514 /nfs/dbraw/zinc/64/45/14/556644514.db2.gz AKEGHIRWNZOAJR-UHFFFAOYSA-N 0 0 432.545 5.559 40 0 IKABRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc(-c2ccccc2)cs1 ZINC000408979283 556644647 /nfs/dbraw/zinc/64/46/47/556644647.db2.gz MAQNCRYKNKTWFJ-OAQYLSRUSA-N 0 0 427.529 5.310 40 0 IKABRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000040556433 556644664 /nfs/dbraw/zinc/64/46/64/556644664.db2.gz MNDMUTKTAHZVER-UHFFFAOYSA-N 0 0 441.409 6.610 40 0 IKABRN Cc1nc(NC(=O)C[C@@H]2CCCCO2)sc1-c1csc(Nc2ccccc2F)n1 ZINC000040556462 556644717 /nfs/dbraw/zinc/64/47/17/556644717.db2.gz RBNXMTOJIHRGBJ-ZDUSSCGKSA-N 0 0 432.546 5.355 40 0 IKABRN Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2nccc3ccccc32)n1 ZINC000040556456 556644760 /nfs/dbraw/zinc/64/47/60/556644760.db2.gz FPIKSGDZZARMIY-UHFFFAOYSA-N 0 0 443.557 6.119 40 0 IKABRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(C2CCCCC2)cc1 ZINC000408979333 556644921 /nfs/dbraw/zinc/64/49/21/556644921.db2.gz MNGNIFKAXSIORL-AREMUKBSSA-N 0 0 426.560 6.234 40 0 IKABRN CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC[C@@H](C)OC(C)=O)OC(C)=O ZINC000016891752 556648238 /nfs/dbraw/zinc/64/82/38/556648238.db2.gz GXLLXKLCZRBGPM-RNAYGUPVSA-N 0 0 440.621 6.060 40 0 IKABRN CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O ZINC000016902463 556648450 /nfs/dbraw/zinc/64/84/50/556648450.db2.gz YMCSKWXVNOOGND-SFHVURJKSA-N 0 0 439.987 5.663 40 0 IKABRN Cc1ccc(S(=O)(=O)[C@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000016953624 556650146 /nfs/dbraw/zinc/65/01/46/556650146.db2.gz GPZZPNBJJQLWBF-AREMUKBSSA-N 0 0 428.553 5.446 40 0 IKABRN Cc1ccc(S[C@H](C)C=CNN=C2NN=C(c3ccccc3)[C@@H](c3ccccc3)N2)cc1 ZINC000016957646 556650571 /nfs/dbraw/zinc/65/05/71/556650571.db2.gz XVFLOSRILJBFTA-KSTUBBRSSA-N 0 0 441.604 5.188 40 0 IKABRN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000040942712 556652045 /nfs/dbraw/zinc/65/20/45/556652045.db2.gz BWHXTOVPAVYGNR-UHFFFAOYSA-N 0 0 440.721 5.077 40 0 IKABRN CCCCOCCOC(=O)C[C@@H](/C=C(\C)CC(C)(C)C)C(=O)OCCOCCCC ZINC000016989752 556652098 /nfs/dbraw/zinc/65/20/98/556652098.db2.gz FBEWUFDEEMXRNN-DHUDHEQZSA-N 0 0 428.610 5.095 40 0 IKABRN CCc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1 ZINC000040943653 556652364 /nfs/dbraw/zinc/65/23/64/556652364.db2.gz LPDBIFGYIXXLMR-UHFFFAOYSA-N 0 0 436.655 5.701 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2cccc(Br)c2)c(Br)c1 ZINC000040942984 556652443 /nfs/dbraw/zinc/65/24/43/556652443.db2.gz JZXVUEWHUCRXNS-UHFFFAOYSA-N 0 0 427.136 5.353 40 0 IKABRN CCc1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc1 ZINC000101036242 556652564 /nfs/dbraw/zinc/65/25/64/556652564.db2.gz YZORGGDPVBBSOO-SGNDLWITSA-N 0 0 446.934 5.262 40 0 IKABRN O=C(Nc1cccc2ccccc21)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408979873 556652603 /nfs/dbraw/zinc/65/26/03/556652603.db2.gz SUGBCJFBEYTWKR-UHFFFAOYSA-N 0 0 429.483 6.026 40 0 IKABRN COc1ccc(OC(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1 ZINC000408979824 556652707 /nfs/dbraw/zinc/65/27/07/556652707.db2.gz SNDCWUOYTZOOTB-UHFFFAOYSA-N 0 0 444.537 6.315 40 0 IKABRN O=C(O[C@@]1(c2ccccc2)OC(=O)c2ccccc21)c1ccccc1C(=O)c1ccccc1 ZINC000017000166 556652756 /nfs/dbraw/zinc/65/27/56/556652756.db2.gz KTTJRRFDZFMDHF-NDEPHWFRSA-N 0 0 434.447 5.146 40 0 IKABRN CC1(C)CC(=O)c2c(nc3c(c2-c2ccc(Br)cc2)[C@@H](O)c2ccccc2-3)C1 ZINC000408980172 556652752 /nfs/dbraw/zinc/65/27/52/556652752.db2.gz DZKZASDUSDVSSV-QHCPKHFHSA-N 0 0 434.333 5.728 40 0 IKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4)cc3n2)cc1 ZINC000017095993 556659512 /nfs/dbraw/zinc/65/95/12/556659512.db2.gz DCTALRRCBJZSNB-UHFFFAOYSA-N 0 0 428.536 5.397 40 0 IKABRN CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)c1 ZINC000017095952 556659519 /nfs/dbraw/zinc/65/95/19/556659519.db2.gz DOMXKJUYLUKQNZ-SFHVURJKSA-N 0 0 428.532 7.049 40 0 IKABRN COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000017096948 556660660 /nfs/dbraw/zinc/66/06/60/556660660.db2.gz RNCDEJUIHQPGEU-UHFFFAOYSA-N 0 0 430.504 6.062 40 0 IKABRN Cc1cc2nc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)oc2c(C)c1 ZINC000017097850 556662282 /nfs/dbraw/zinc/66/22/82/556662282.db2.gz BEDLJBGCBOWWOO-UHFFFAOYSA-N 0 0 432.348 6.059 40 0 IKABRN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)oc2c1 ZINC000017097845 556662299 /nfs/dbraw/zinc/66/22/99/556662299.db2.gz ILCCBJQRJJEZDH-UHFFFAOYSA-N 0 0 432.348 6.059 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1C ZINC000017097853 556662350 /nfs/dbraw/zinc/66/23/50/556662350.db2.gz BPPQHVCLUURUGD-UHFFFAOYSA-N 0 0 432.348 6.059 40 0 IKABRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1sc2ccccc2c1Cl ZINC000017098212 556662744 /nfs/dbraw/zinc/66/27/44/556662744.db2.gz FOFCPFRANVTJGR-UHFFFAOYSA-N 0 0 432.888 5.608 40 0 IKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000017098775 556663702 /nfs/dbraw/zinc/66/37/02/556663702.db2.gz ORWYEOZYGMDEJQ-UHFFFAOYSA-N 0 0 434.389 6.220 40 0 IKABRN CCCCc1ccc2nc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)sc2c1 ZINC000017099445 556664728 /nfs/dbraw/zinc/66/47/28/556664728.db2.gz LFWYMFQGDYRWPQ-VQHVLOKHSA-N 0 0 435.376 6.606 40 0 IKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O ZINC000017101083 556665882 /nfs/dbraw/zinc/66/58/82/556665882.db2.gz DDSMFEUOKFWJQO-ZRDIBKRKSA-N 0 0 437.282 5.446 40 0 IKABRN Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)cc(-c2nc3ccccc3o2)c1O ZINC000017101757 556666270 /nfs/dbraw/zinc/66/62/70/556666270.db2.gz WPUDOKWRDSVZEW-UHFFFAOYSA-N 0 0 437.908 5.289 40 0 IKABRN Clc1ccc([C@@H](CCOc2ccccc2Br)Cn2ccnc2)c(Cl)c1 ZINC000017108792 556667652 /nfs/dbraw/zinc/66/76/52/556667652.db2.gz PPLWPROWGNAGPZ-AWEZNQCLSA-N 0 0 440.168 6.205 40 0 IKABRN FC(F)(F)c1cccc(/N=c2/oc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000017111386 556667732 /nfs/dbraw/zinc/66/77/32/556667732.db2.gz BMXMFNQUFAOTEZ-TWKHWXDSSA-N 0 0 449.354 6.841 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000044839411 556668076 /nfs/dbraw/zinc/66/80/76/556668076.db2.gz AQCHFCIHGVOQEP-UHFFFAOYSA-N 0 0 442.968 5.572 40 0 IKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 ZINC000044839738 556668151 /nfs/dbraw/zinc/66/81/51/556668151.db2.gz QYRLODKRNSOUPG-KRWDZBQOSA-N 0 0 442.968 5.249 40 0 IKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000044839743 556668158 /nfs/dbraw/zinc/66/81/58/556668158.db2.gz DDUHICLGOWCCFC-NRFANRHFSA-N 0 0 432.372 7.295 40 0 IKABRN COc1cc(OC)cc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000044840606 556668374 /nfs/dbraw/zinc/66/83/74/556668374.db2.gz JPELUDQUDOZIJQ-UHFFFAOYSA-N 0 0 447.531 5.250 40 0 IKABRN Cc1ccc([C@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1 ZINC000044841465 556668548 /nfs/dbraw/zinc/66/85/48/556668548.db2.gz YKDXRUWONQTTLT-AREMUKBSSA-N 0 0 429.541 5.855 40 0 IKABRN Cc1ccc([C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1 ZINC000044841469 556668666 /nfs/dbraw/zinc/66/86/66/556668666.db2.gz YKDXRUWONQTTLT-SANMLTNESA-N 0 0 429.541 5.855 40 0 IKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000044843042 556668820 /nfs/dbraw/zinc/66/88/20/556668820.db2.gz SRFWWNQJZSBBTG-YKSBVNFPSA-N 0 0 430.548 5.591 40 0 IKABRN CC(C)c1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000044845845 556669395 /nfs/dbraw/zinc/66/93/95/556669395.db2.gz GBYAPRUIBHUHIT-UHFFFAOYSA-N 0 0 428.941 5.517 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 ZINC000044846631 556669490 /nfs/dbraw/zinc/66/94/90/556669490.db2.gz BMEOLUQZKUDFMF-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN CC(C)C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000044847630 556669909 /nfs/dbraw/zinc/66/99/09/556669909.db2.gz MRDHTAFYQBDSDS-NRFANRHFSA-N 0 0 442.606 5.090 40 0 IKABRN Cc1nccn1-c1ccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000044850512 556670515 /nfs/dbraw/zinc/67/05/15/556670515.db2.gz FHTMEJWNTULHIW-JJIBRWJFSA-N 0 0 427.935 5.691 40 0 IKABRN Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000044852567 556670668 /nfs/dbraw/zinc/67/06/68/556670668.db2.gz SWQVWKNINNJWDY-QGZVFWFLSA-N 0 0 435.395 5.098 40 0 IKABRN Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000044852569 556670677 /nfs/dbraw/zinc/67/06/77/556670677.db2.gz SWQVWKNINNJWDY-KRWDZBQOSA-N 0 0 435.395 5.098 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)c(C)c1 ZINC000044856523 556672200 /nfs/dbraw/zinc/67/22/00/556672200.db2.gz LXPSGIKLDWZLJR-QHCPKHFHSA-N 0 0 443.429 5.545 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1C ZINC000044856674 556672215 /nfs/dbraw/zinc/67/22/15/556672215.db2.gz ZHTGTJLSOFPEFX-HSZRJFAPSA-N 0 0 433.423 6.090 40 0 IKABRN O=C(c1c2ccccc2n(C(=O)c2ccccc2)c1C[C@H](O)c1cccnc1)c1ccccc1 ZINC000017219071 556673724 /nfs/dbraw/zinc/67/37/24/556673724.db2.gz BMAMBNTZRPGRTE-SANMLTNESA-N 0 0 446.506 5.232 40 0 IKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000044880349 556674112 /nfs/dbraw/zinc/67/41/12/556674112.db2.gz OJGPQYCXDNEPQJ-HSZRJFAPSA-N 0 0 442.481 5.365 40 0 IKABRN CC(C)c1ccc(C=C2CSCC3C2=NC(=S)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000017254563 556674284 /nfs/dbraw/zinc/67/42/84/556674284.db2.gz VWMQARYYHFGNNJ-JGTYQCAFSA-N 0 0 434.674 6.537 40 0 IKABRN CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044882613 556674399 /nfs/dbraw/zinc/67/43/99/556674399.db2.gz NPQFLEXVRQPBES-UHFFFAOYSA-N 0 0 435.395 5.309 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044880854 556674482 /nfs/dbraw/zinc/67/44/82/556674482.db2.gz KQMQTKUGIYHCDO-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000044884924 556674982 /nfs/dbraw/zinc/67/49/82/556674982.db2.gz GIFQCJPVDUVVMU-UHFFFAOYSA-N 0 0 448.588 5.496 40 0 IKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000044884800 556675027 /nfs/dbraw/zinc/67/50/27/556675027.db2.gz LJLAGEMFHOLUCI-GOSISDBHSA-N 0 0 432.413 6.053 40 0 IKABRN CCOc1ccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1OCC ZINC000044885648 556675245 /nfs/dbraw/zinc/67/52/45/556675245.db2.gz VBVCOHVFPVQVEZ-UHFFFAOYSA-N 0 0 444.575 5.367 40 0 IKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000044885266 556675342 /nfs/dbraw/zinc/67/53/42/556675342.db2.gz RHPFMCKNRBJZBD-SANMLTNESA-N 0 0 443.518 6.032 40 0 IKABRN CCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000044886235 556675794 /nfs/dbraw/zinc/67/57/94/556675794.db2.gz LRQIUGZSBPBLMI-UHFFFAOYSA-N 0 0 444.940 5.100 40 0 IKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000044899952 556676599 /nfs/dbraw/zinc/67/65/99/556676599.db2.gz BCRLXJKQYAJHKN-UHFFFAOYSA-N 0 0 430.857 6.174 40 0 IKABRN O=C(NCCSc1ccc(Cl)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000044899912 556676668 /nfs/dbraw/zinc/67/66/68/556676668.db2.gz KUFHOMVYOMFVQY-UHFFFAOYSA-N 0 0 444.021 6.033 40 0 IKABRN COc1ccc(CSCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044899865 556676676 /nfs/dbraw/zinc/67/66/76/556676676.db2.gz YXICKYWBHNJDGM-UHFFFAOYSA-N 0 0 447.600 6.096 40 0 IKABRN COP(=O)(OC)O/C(=C(\OP(=O)(OC)OC)c1ccccc1)c1ccccc1 ZINC000017379054 556676893 /nfs/dbraw/zinc/67/68/93/556676893.db2.gz CBYHHTKCFGNNSO-ZCXUNETKSA-N 0 0 428.314 5.347 40 0 IKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1OCC ZINC000044900220 556677088 /nfs/dbraw/zinc/67/70/88/556677088.db2.gz DTKQRRYMCJHWIZ-FQEVSTJZSA-N 0 0 444.575 5.538 40 0 IKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1OCC ZINC000044900219 556677143 /nfs/dbraw/zinc/67/71/43/556677143.db2.gz DTKQRRYMCJHWIZ-HXUWFJFHSA-N 0 0 444.575 5.538 40 0 IKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1C ZINC000044901257 556677678 /nfs/dbraw/zinc/67/76/78/556677678.db2.gz CFMBJBGLOBTMLK-MRXNPFEDSA-N 0 0 445.753 5.762 40 0 IKABRN O=C(NCCCc1ccccc1Cl)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000044906257 556680155 /nfs/dbraw/zinc/68/01/55/556680155.db2.gz ZUNUHLZKWXWHCZ-UHFFFAOYSA-N 0 0 439.814 5.608 40 0 IKABRN CCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044909947 556680608 /nfs/dbraw/zinc/68/06/08/556680608.db2.gz QPHVVWSPMGAOCF-UHFFFAOYSA-N 0 0 449.422 5.353 40 0 IKABRN O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044917201 556681650 /nfs/dbraw/zinc/68/16/50/556681650.db2.gz ZOKIBBQIRUKWPT-UHFFFAOYSA-N 0 0 447.406 6.166 40 0 IKABRN O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000044918009 556681871 /nfs/dbraw/zinc/68/18/71/556681871.db2.gz XTPKTTJLJGBCFK-UHFFFAOYSA-N 0 0 433.964 6.129 40 0 IKABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000044918014 556681879 /nfs/dbraw/zinc/68/18/79/556681879.db2.gz MWXZVUFMBDAZIB-UHFFFAOYSA-N 0 0 447.991 6.438 40 0 IKABRN CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044932225 556682158 /nfs/dbraw/zinc/68/21/58/556682158.db2.gz ARJVAFFENKLMKH-UHFFFAOYSA-N 0 0 435.395 5.309 40 0 IKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1 ZINC000044935786 556682587 /nfs/dbraw/zinc/68/25/87/556682587.db2.gz PHGOGZYTTZQNRV-QFIPXVFZSA-N 0 0 429.402 5.237 40 0 IKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1 ZINC000044935789 556682654 /nfs/dbraw/zinc/68/26/54/556682654.db2.gz PHGOGZYTTZQNRV-JOCHJYFZSA-N 0 0 429.402 5.237 40 0 IKABRN CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000044936874 556682709 /nfs/dbraw/zinc/68/27/09/556682709.db2.gz DOBNIDIQJPBOSL-HSZRJFAPSA-N 0 0 433.423 6.109 40 0 IKABRN Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000044948171 556683826 /nfs/dbraw/zinc/68/38/26/556683826.db2.gz MHZXABMVXCRARE-UHFFFAOYSA-N 0 0 442.968 5.030 40 0 IKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000044947925 556683873 /nfs/dbraw/zinc/68/38/73/556683873.db2.gz QUZNLEXTUZJDPQ-FQEVSTJZSA-N 0 0 426.409 5.817 40 0 IKABRN Brc1cc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c(Br)c1 ZINC000226342791 556684877 /nfs/dbraw/zinc/68/48/77/556684877.db2.gz LAWUANGFSCRBSC-UHFFFAOYSA-N 0 0 428.127 6.422 40 0 IKABRN NC(=O)CCc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000226342349 556684882 /nfs/dbraw/zinc/68/48/82/556684882.db2.gz JJQPFNMIUWGLPL-UHFFFAOYSA-N 0 0 437.548 5.406 40 0 IKABRN Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2ccc(F)cc2Br)o1 ZINC000226769541 556685347 /nfs/dbraw/zinc/68/53/47/556685347.db2.gz KLIGHEUOLTXBKP-UHFFFAOYSA-N 0 0 428.257 5.292 40 0 IKABRN Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2F)o1 ZINC000226769312 556685377 /nfs/dbraw/zinc/68/53/77/556685377.db2.gz VZXLIZRLAFUPOW-UHFFFAOYSA-N 0 0 426.241 5.612 40 0 IKABRN COc1ccc(CSC2=N[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1 ZINC000408985360 556686889 /nfs/dbraw/zinc/68/68/89/556686889.db2.gz ARELTPKWTXDLAR-XMMPIXPASA-N 0 0 443.572 5.542 40 0 IKABRN Cc1cc(C)c(CSC2=N[C@H](c3cccc(Cl)c3Cl)C(C(N)=O)=C(C)N2)c(C)c1 ZINC000408987192 556688984 /nfs/dbraw/zinc/68/89/84/556688984.db2.gz DZWZUXCGNBZPSQ-HXUWFJFHSA-N 0 0 448.419 5.612 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccc(Cl)cc1 ZINC000000778364 556692932 /nfs/dbraw/zinc/69/29/32/556692932.db2.gz MGWAJCLYOJAWGZ-UHFFFAOYSA-N 0 0 428.897 5.001 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1cccc(Cl)c1 ZINC000000778380 556692950 /nfs/dbraw/zinc/69/29/50/556692950.db2.gz FKIVIWVWIKURBQ-UHFFFAOYSA-N 0 0 442.924 5.310 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1ccc(F)cc1 ZINC000000778435 556693261 /nfs/dbraw/zinc/69/32/61/556693261.db2.gz PDGJHHFXSXKYJF-UHFFFAOYSA-N 0 0 446.887 5.140 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1cccc(C)c1 ZINC000000778428 556693268 /nfs/dbraw/zinc/69/32/68/556693268.db2.gz YHILKVLDHROGCU-UHFFFAOYSA-N 0 0 442.924 5.310 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1ccccc1F ZINC000000778409 556693469 /nfs/dbraw/zinc/69/34/69/556693469.db2.gz FNLKPTNCMKIVOW-UHFFFAOYSA-N 0 0 446.887 5.140 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2cccnc2)c(C)c1 ZINC000000783401 556694133 /nfs/dbraw/zinc/69/41/33/556694133.db2.gz KLAMCPJQSGJJDR-UHFFFAOYSA-N 0 0 449.967 5.330 40 0 IKABRN O=C(Nc1nc2c(ccc3ccccc23)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000019074419 556694883 /nfs/dbraw/zinc/69/48/83/556694883.db2.gz GRBSCOWAEFVPBK-UHFFFAOYSA-N 0 0 440.368 6.739 40 0 IKABRN COc1ccccc1NC(=O)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000000790431 556695255 /nfs/dbraw/zinc/69/52/55/556695255.db2.gz DMIZFXRRPARKGW-UHFFFAOYSA-N 0 0 433.552 5.520 40 0 IKABRN O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccccc1 ZINC000000793652 556695560 /nfs/dbraw/zinc/69/55/60/556695560.db2.gz LUADJECYKZFBBR-UHFFFAOYSA-N 0 0 440.240 5.352 40 0 IKABRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 ZINC000000796437 556695564 /nfs/dbraw/zinc/69/55/64/556695564.db2.gz VEPLLKPEQQMYQV-UHFFFAOYSA-N 0 0 449.967 5.330 40 0 IKABRN Cc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1C ZINC000000800055 556696602 /nfs/dbraw/zinc/69/66/02/556696602.db2.gz IXCGAGJWRZHKGJ-IBGZPJMESA-N 0 0 438.515 5.450 40 0 IKABRN CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019081855 556696681 /nfs/dbraw/zinc/69/66/81/556696681.db2.gz MPCQDPARAQSAHG-LAUBAEHRSA-N 0 0 434.411 5.504 40 0 IKABRN CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019082020 556697061 /nfs/dbraw/zinc/69/70/61/556697061.db2.gz DVJGIYBHDICOSZ-NRFANRHFSA-N 0 0 434.411 5.504 40 0 IKABRN CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc2N1 ZINC000019082288 556697089 /nfs/dbraw/zinc/69/70/89/556697089.db2.gz ZCRCAFFPDJPSJH-KBAYOESNSA-N 0 0 426.527 5.113 40 0 IKABRN CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000019084726 556698744 /nfs/dbraw/zinc/69/87/44/556698744.db2.gz AUUCTKAHAYMKFN-UHFFFAOYSA-N 0 0 434.971 5.509 40 0 IKABRN S=c1oc(-c2ccccc2Br)nn1CNc1ccc(Cl)c(Cl)c1 ZINC000000819693 556698966 /nfs/dbraw/zinc/69/89/66/556698966.db2.gz GNCPIHUNIYIKON-UHFFFAOYSA-N 0 0 431.142 6.011 40 0 IKABRN CC(C)C(=O)N1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000019085608 556699330 /nfs/dbraw/zinc/69/93/30/556699330.db2.gz RZYDMPDIQGBXMA-ZMSDIMECSA-N 0 0 426.508 5.315 40 0 IKABRN CC(=O)c1ccc(NC(=O)C(=Cc2ccc(OC(C)C)cc2)NC(=O)c2ccccc2)cc1 ZINC000000822317 556699800 /nfs/dbraw/zinc/69/98/00/556699800.db2.gz XPRHHPBXCXYBEA-KOEQRZSOSA-N 0 0 442.515 5.086 40 0 IKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(I)cc1 ZINC000000830164 556700285 /nfs/dbraw/zinc/70/02/85/556700285.db2.gz XHGVHEAWKFZYJO-UHFFFAOYSA-N 0 0 426.468 5.504 40 0 IKABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@H](C)c3ccccc3)cc2)on1 ZINC000019123753 556702188 /nfs/dbraw/zinc/70/21/88/556702188.db2.gz VXMFIFMCKKDJHT-LJQANCHMSA-N 0 0 440.547 5.650 40 0 IKABRN Brc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)c(Br)c1 ZINC000073638167 556705104 /nfs/dbraw/zinc/70/51/04/556705104.db2.gz PDPQWISBYQIOLM-UHFFFAOYSA-N 0 0 429.111 6.687 40 0 IKABRN Cc1cc2nc(-c3ccc(Br)cc3Br)oc2c(Br)c1 ZINC000073638205 556705460 /nfs/dbraw/zinc/70/54/60/556705460.db2.gz SCXDIZDEUSLDLJ-UHFFFAOYSA-N 0 0 445.936 6.091 40 0 IKABRN Nc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c(Br)c1 ZINC000073639333 556706102 /nfs/dbraw/zinc/70/61/02/556706102.db2.gz VBARDCDEWNNVJS-UHFFFAOYSA-N 0 0 444.126 6.269 40 0 IKABRN Cc1noc(C)c1C12C[C@@H]3C[C@@H](CC(Cc4nc5c6c(C)c(C)sc6ncn5n4)(C3)C1)C2 ZINC000013640798 556706115 /nfs/dbraw/zinc/70/61/15/556706115.db2.gz ZGEUKQJBADTMCH-FLCJAFJVSA-N 0 0 447.608 5.641 40 0 IKABRN CCc1c2oc(-c3ccc4ccccc4c3)nc2c(Br)c(N)c1Br ZINC000073642693 556706837 /nfs/dbraw/zinc/70/68/37/556706837.db2.gz NTPXAVCGFZGPLL-UHFFFAOYSA-N 0 0 446.142 6.318 40 0 IKABRN CCC(C)(C)c1ccc(OCCCCNc2nccc3c2nnn3C)c(C(C)(C)CC)c1 ZINC000019142967 556706865 /nfs/dbraw/zinc/70/68/65/556706865.db2.gz OOFFFQJVLFKYSG-UHFFFAOYSA-N 0 0 437.632 6.010 40 0 IKABRN CC1=C(C)[C@@]2(C)c3c(c(C)c(Br)c(Br)c3C)[C@]1(C)N2N(C)C ZINC000019168537 556707247 /nfs/dbraw/zinc/70/72/47/556707247.db2.gz NKQYMWGQJGHCQC-HDICACEKSA-N 0 0 428.212 5.401 40 0 IKABRN COc1ccccc1C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3[nH]2)C[C@H]1C(C)C ZINC000072320936 556710159 /nfs/dbraw/zinc/71/01/59/556710159.db2.gz XSZSIBNZAMGKEU-ONTIZHBOSA-N 0 0 431.580 5.399 40 0 biogenic,in-vitro IKABRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000409000777 556710673 /nfs/dbraw/zinc/71/06/73/556710673.db2.gz XYBUADDWWXSPJF-NRFANRHFSA-N 0 0 430.504 5.661 40 0 IKABRN CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(C)c(F)c2)nc(C2CC2)n1 ZINC000019214467 556711285 /nfs/dbraw/zinc/71/12/85/556711285.db2.gz ZGTFRBSUCZCDMF-JOCHJYFZSA-N 0 0 443.526 5.038 40 0 IKABRN CCOC(=O)N[C@@H](CC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000409002621 556711938 /nfs/dbraw/zinc/71/19/38/556711938.db2.gz ORQIDQJXBUQLRK-QHCPKHFHSA-N 0 0 437.536 5.338 40 0 IKABRN Cc1ccc(C(=O)N2CC[C@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)s1 ZINC000019216853 556712206 /nfs/dbraw/zinc/71/22/06/556712206.db2.gz MVAXSIXSAJBSKJ-IBGZPJMESA-N 0 0 441.560 5.282 40 0 IKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(F)cc2)o1 ZINC000409007010 556713755 /nfs/dbraw/zinc/71/37/55/556713755.db2.gz MNWMGQONIGFAHM-SNVBAGLBSA-N 0 0 442.299 5.386 40 0 IKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000409011748 556715479 /nfs/dbraw/zinc/71/54/79/556715479.db2.gz IHMKSYZRZXNWTC-OTGIAGGSSA-N 0 0 436.360 6.407 40 0 IKABRN Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000019221522 556715772 /nfs/dbraw/zinc/71/57/72/556715772.db2.gz GDBAMEXKACHDBH-RUZDIDTESA-N 0 0 441.579 5.029 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1cccc(C)c1 ZINC000409012689 556715821 /nfs/dbraw/zinc/71/58/21/556715821.db2.gz RHVVRJVMJJDNPX-NIZGNDASSA-N 0 0 425.550 5.808 40 0 IKABRN Cc1cccc(CC(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C(C)C)cs2)c1 ZINC000019234584 556718740 /nfs/dbraw/zinc/71/87/40/556718740.db2.gz HPPFGUFZCRVQQQ-UHFFFAOYSA-N 0 0 447.604 5.259 40 0 IKABRN O=C(Nc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1)c1ccccc1 ZINC000000841491 556719874 /nfs/dbraw/zinc/71/98/74/556719874.db2.gz IQVXIZXJOPQJSD-UHFFFAOYSA-N 0 0 433.467 5.999 40 0 IKABRN COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409017999 556720778 /nfs/dbraw/zinc/72/07/78/556720778.db2.gz GYTCWLHTZGDPSC-FYJGNVAPSA-N 0 0 448.906 5.333 40 0 IKABRN Cc1cccc2c1[nH]c([C@H]1CCCN(C(=O)c3cc(C(C)C)no3)C1)c2-c1ccncc1 ZINC000019236541 556721139 /nfs/dbraw/zinc/72/11/39/556721139.db2.gz GJIXROUCDCLHMX-IBGZPJMESA-N 0 0 428.536 5.670 40 0 IKABRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O ZINC000409017378 556721443 /nfs/dbraw/zinc/72/14/43/556721443.db2.gz WEPFCSWZDFRTGC-MDBUFAAASA-N 0 0 449.931 5.902 40 0 IKABRN CC(C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000409019856 556722452 /nfs/dbraw/zinc/72/24/52/556722452.db2.gz YUPPZUGATIEXFK-WOJGMQOQSA-N 0 0 432.339 5.473 40 0 IKABRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409020714 556723420 /nfs/dbraw/zinc/72/34/20/556723420.db2.gz SJBIAXHGCXPVSV-NPRIEWAGSA-N 0 0 445.968 6.153 40 0 IKABRN Cc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1C ZINC000000869068 556725136 /nfs/dbraw/zinc/72/51/36/556725136.db2.gz ISZFVNMNZQOLBD-UHFFFAOYSA-N 0 0 444.585 5.712 40 0 IKABRN Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1-c1ccccc1 ZINC000000869077 556725155 /nfs/dbraw/zinc/72/51/55/556725155.db2.gz ALBLFTRDWQOASD-UHFFFAOYSA-N 0 0 434.952 5.627 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)sc1NC(=O)c1ccccc1 ZINC000000868950 556725177 /nfs/dbraw/zinc/72/51/77/556725177.db2.gz PMSXSNVCRVZUQJ-UHFFFAOYSA-N 0 0 442.924 5.310 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)c1ccc(C)cc1 ZINC000000868927 556725221 /nfs/dbraw/zinc/72/52/21/556725221.db2.gz UGMTZYDVFOFDIJ-UHFFFAOYSA-N 0 0 436.533 5.273 40 0 IKABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000013750716 556726009 /nfs/dbraw/zinc/72/60/09/556726009.db2.gz VFLVERBIEIQBPN-ACRUOGEOSA-N 0 0 439.298 5.045 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccc(C(C)C)cc2)cc1 ZINC000409025197 556726037 /nfs/dbraw/zinc/72/60/37/556726037.db2.gz RMQOTYJXHJOYHS-UHFFFAOYSA-N 0 0 440.540 5.092 40 0 IKABRN COc1ccc2cc(C(=O)N3CC[C@@H](c4nc(C5CCC5)n5c(C)csc45)C3)[nH]c2c1 ZINC000019240528 556726157 /nfs/dbraw/zinc/72/61/57/556726157.db2.gz NMWRVAXSTITCIH-QGZVFWFLSA-N 0 0 434.565 5.091 40 0 IKABRN Cc1csc2c([C@@H]3CCN(C(=O)c4[nH]c5ccc(F)cc5c4C)C3)nc(C3CCC3)n12 ZINC000019240501 556726267 /nfs/dbraw/zinc/72/62/67/556726267.db2.gz LUCRRSDZRZOQLE-MRXNPFEDSA-N 0 0 436.556 5.530 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2C)sc1NC(=O)c1cccc(C)c1 ZINC000000871216 556726346 /nfs/dbraw/zinc/72/63/46/556726346.db2.gz QNWKFSSHWQMPEQ-UHFFFAOYSA-N 0 0 436.533 5.273 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2C)sc1NC(=O)c1ccc(F)cc1 ZINC000000871225 556726379 /nfs/dbraw/zinc/72/63/79/556726379.db2.gz IEZMJLVLAQVLAU-UHFFFAOYSA-N 0 0 440.496 5.104 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)sc1NC(=O)c1cccc(C)c1 ZINC000000871235 556726627 /nfs/dbraw/zinc/72/66/27/556726627.db2.gz VPHUEGPVJHNWOD-UHFFFAOYSA-N 0 0 442.924 5.310 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)NCCSCc1c(Cl)cccc1Cl ZINC000409026748 556726673 /nfs/dbraw/zinc/72/66/73/556726673.db2.gz WVWKUSMLUJEFAI-UHFFFAOYSA-N 0 0 439.191 5.729 40 0 IKABRN Cc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409026314 556726699 /nfs/dbraw/zinc/72/66/99/556726699.db2.gz LRPAKSDRCVAOBH-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)sc1NC(=O)C1CCCCC1 ZINC000000871981 556726831 /nfs/dbraw/zinc/72/68/31/556726831.db2.gz MHHVYZIZHLFGSM-UHFFFAOYSA-N 0 0 434.945 5.268 40 0 IKABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)sc1NC(=O)c1cccc(Cl)c1 ZINC000000872070 556727082 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429.951 5.785 40 0 IKABRN COc1ccccc1CN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccco1 ZINC000001367757 556792098 /nfs/dbraw/zinc/79/20/98/556792098.db2.gz LEZDHUMQYPPYTH-UHFFFAOYSA-N 0 0 434.923 5.949 40 0 IKABRN Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 ZINC000409091553 556792526 /nfs/dbraw/zinc/79/25/26/556792526.db2.gz VCHXOMGOOYYDOG-UHFFFAOYSA-N 0 0 426.372 6.457 40 0 IKABRN CCOc1cc(C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1 ZINC000409091964 556793036 /nfs/dbraw/zinc/79/30/36/556793036.db2.gz RYSBQGFKTLDQQI-UHFFFAOYSA-N 0 0 426.310 5.679 40 0 IKABRN COc1ccccc1NC(=O)CSc1nc(C(C)C)nc2sc3c(c21)CC[C@H](C)C3 ZINC000001375659 556793217 /nfs/dbraw/zinc/79/32/17/556793217.db2.gz FFVUXUOGBBUPMU-AWEZNQCLSA-N 0 0 441.622 5.679 40 0 IKABRN O=C(c1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(/C=C/c3ccc(Cl)cc3)ccc12 ZINC000005398358 556793251 /nfs/dbraw/zinc/79/32/51/556793251.db2.gz BZADVIVGQHZKBG-RUHNTQCHSA-N 0 0 448.925 5.071 40 0 biogenic,in-vitro IKABRN COc1ccc(Cl)cc1NC(=O)CSc1nc(C)nc2sc3c(c21)CC[C@H](C)C3 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XSNDQGHNYPCNAV-DEOSSOPVSA-N 0 0 448.519 5.114 40 0 IKABRN O=C1NC(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409094330 556793952 /nfs/dbraw/zinc/79/39/52/556793952.db2.gz DDGADPAVFRDWJU-YBEGLDIGSA-N 0 0 433.678 6.004 40 0 IKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)c(Cl)c2)c1 ZINC000409094519 556793966 /nfs/dbraw/zinc/79/39/66/556793966.db2.gz DMLAHOKQGSWZKS-UHFFFAOYSA-N 0 0 440.399 6.766 40 0 IKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccc(C)cc2)cc1 ZINC000409094336 556794062 /nfs/dbraw/zinc/79/40/62/556794062.db2.gz DENRKPQNBBGLJO-UHFFFAOYSA-N 0 0 431.561 5.346 40 0 IKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 ZINC000409095869 556794262 /nfs/dbraw/zinc/79/42/62/556794262.db2.gz DRWBGTLYYWZIIT-UHFFFAOYSA-N 0 0 449.963 5.495 40 0 IKABRN C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)Nc4ccccc4F)c32)C1 ZINC000001377292 556794441 /nfs/dbraw/zinc/79/44/41/556794441.db2.gz ZZYMOLCNDWMOIR-LBPRGKRZSA-N 0 0 427.570 5.563 40 0 IKABRN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCc4cccs4)c23)C1 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/nfs/dbraw/zinc/79/52/33/556795233.db2.gz RDBVANMCHNRAGH-UHFFFAOYSA-N 0 0 432.911 5.119 40 0 IKABRN COc1ccccc1NC(=O)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001378376 556795241 /nfs/dbraw/zinc/79/52/41/556795241.db2.gz QUSQHZVWNYAPGD-UHFFFAOYSA-N 0 0 447.560 5.449 40 0 IKABRN Cc1ccc2cc(CN(Cc3cccs3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000001378375 556795272 /nfs/dbraw/zinc/79/52/72/556795272.db2.gz KMFLDRICBPFWBK-UHFFFAOYSA-N 0 0 435.524 5.580 40 0 IKABRN COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001378383 556795442 /nfs/dbraw/zinc/79/54/42/556795442.db2.gz PYOJVLDIXCXNNM-UHFFFAOYSA-N 0 0 441.531 5.388 40 0 IKABRN Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)Nc2ccccc2)cc1 ZINC000001378386 556795487 /nfs/dbraw/zinc/79/54/87/556795487.db2.gz NBPQBPILXHQSPH-UHFFFAOYSA-N 0 0 425.532 5.688 40 0 IKABRN Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)cc1 ZINC000409098649 556795627 /nfs/dbraw/zinc/79/56/27/556795627.db2.gz QZWMTMRESUHLKV-UHFFFAOYSA-N 0 0 441.987 6.957 40 0 IKABRN Clc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 ZINC000409102701 556795898 /nfs/dbraw/zinc/79/58/98/556795898.db2.gz TVCXVOPJNDCVNQ-UHFFFAOYSA-N 0 0 428.948 6.428 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1C ZINC000409101996 556795907 /nfs/dbraw/zinc/79/59/07/556795907.db2.gz XMSKTNVJARGTJC-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1cccc(Cl)c1 ZINC000001378985 556795846 /nfs/dbraw/zinc/79/58/46/556795846.db2.gz LAIAKLIMDXIAEY-UHFFFAOYSA-N 0 0 427.957 5.907 40 0 IKABRN Cc1cc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c(C)c1 ZINC000001379966 556796084 /nfs/dbraw/zinc/79/60/84/556796084.db2.gz TYBRTTBVHPXMKV-DEOSSOPVSA-N 0 0 431.536 5.047 40 0 IKABRN COc1ccc(C)cc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001380077 556796112 /nfs/dbraw/zinc/79/61/12/556796112.db2.gz BKJCFBLNUOKQRJ-QFIPXVFZSA-N 0 0 438.549 5.105 40 0 IKABRN Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2Cl)cc1 ZINC000409103546 556796213 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40 0 IKABRN CCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2nsc(Cl)c2Cl)cc1 ZINC000001380301 556796539 /nfs/dbraw/zinc/79/65/39/556796539.db2.gz UPICUJNGRZYRCB-UHFFFAOYSA-N 0 0 440.396 5.108 40 0 IKABRN O=C1NC(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409100349 556796640 /nfs/dbraw/zinc/79/66/40/556796640.db2.gz MVROONBGESLCRK-GZTJUZNOSA-N 0 0 436.880 5.058 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccccc2)cc1 ZINC000409100335 556796713 /nfs/dbraw/zinc/79/67/13/556796713.db2.gz VGLBUDIACGJGSZ-UHFFFAOYSA-N 0 0 442.588 5.844 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 ZINC000409100424 556796761 /nfs/dbraw/zinc/79/67/61/556796761.db2.gz VWKIPRQBTFTBEP-UHFFFAOYSA-N 0 0 442.588 5.844 40 0 IKABRN C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000001381378 556796902 /nfs/dbraw/zinc/79/69/02/556796902.db2.gz FPTUDJKLWGWKAY-OAHLLOKOSA-N 0 0 431.964 5.370 40 0 IKABRN CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1Cl ZINC000409101422 556796931 /nfs/dbraw/zinc/79/69/31/556796931.db2.gz YFTVTMPGKJREKV-UCQKPKSFSA-N 0 0 437.948 6.403 40 0 IKABRN CCc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409103889 556797001 /nfs/dbraw/zinc/79/70/01/556797001.db2.gz HNJSEIXSLFWWKY-UHFFFAOYSA-N 0 0 435.980 6.321 40 0 IKABRN C[C@H]1O[C@H](n2c3ccccc3c3ccccc32)[C@@H](C)O[C@H]1n1c2ccccc2c2ccccc21 ZINC000001758740 556797766 /nfs/dbraw/zinc/79/77/66/556797766.db2.gz FPILFFLXHSKNOF-YVZLHCJQSA-N 0 0 446.550 7.424 40 0 IKABRN O=C(NC1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cc4ccccc4s3)ccc12 ZINC000005410603 556798790 /nfs/dbraw/zinc/79/87/90/556798790.db2.gz YCBVDJJTBFIXDU-PKOBYXMFSA-N 0 0 447.604 5.191 40 0 biogenic,in-vitro IKABRN O=C(NC1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc4ccccc4c3)c12 ZINC000005415094 556798844 /nfs/dbraw/zinc/79/88/44/556798844.db2.gz ZTXVCSDPYBRQCP-WMZHIEFXSA-N 0 0 441.575 5.130 40 0 biogenic,in-vitro IKABRN Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1-c1ccc(F)cc1 ZINC000409108250 556799004 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COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409109637 556800080 /nfs/dbraw/zinc/80/00/80/556800080.db2.gz INONXBIDZAOYEL-IWIPYMOSSA-N 0 0 427.544 6.126 40 0 IKABRN COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)cc1 ZINC000409109833 556800086 /nfs/dbraw/zinc/80/00/86/556800086.db2.gz MJODCDBTQASAQQ-UHFFFAOYSA-N 0 0 438.354 7.346 40 0 IKABRN CCOc1ccc(NCc2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1 ZINC000409110457 556800478 /nfs/dbraw/zinc/80/04/78/556800478.db2.gz WGEODFLXTFFTMN-UHFFFAOYSA-N 0 0 441.549 5.172 40 0 IKABRN Cc1cccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccncc2)c1 ZINC000409108589 556800933 /nfs/dbraw/zinc/80/09/33/556800933.db2.gz VKOCQFSAYVJNCS-UHFFFAOYSA-N 0 0 427.360 6.237 40 0 IKABRN CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409110766 556800967 /nfs/dbraw/zinc/80/09/67/556800967.db2.gz GPGAIIHOHRDMPY-UHFFFAOYSA-N 0 0 445.990 7.645 40 0 IKABRN Cc1c(Cl)cccc1NCc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000409110909 556801193 /nfs/dbraw/zinc/80/11/93/556801193.db2.gz 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556802616 /nfs/dbraw/zinc/80/26/16/556802616.db2.gz CTUMSSKHWTYZAM-UHFFFAOYSA-N 0 0 430.317 6.178 40 0 IKABRN CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)c2ccccc21 ZINC000409112548 556802891 /nfs/dbraw/zinc/80/28/91/556802891.db2.gz DWUMEWJFJUAJGK-JWGURIENSA-N 0 0 448.360 6.325 40 0 IKABRN CCc1ccccc1NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000409112700 556803074 /nfs/dbraw/zinc/80/30/74/556803074.db2.gz GBSDSJIJAQYVRG-UHFFFAOYSA-N 0 0 430.773 6.856 40 0 IKABRN CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c2ccccc21 ZINC000409112844 556803159 /nfs/dbraw/zinc/80/31/59/556803159.db2.gz CGPBUZYCIOXHGT-ODLFYWEKSA-N 0 0 442.317 6.619 40 0 IKABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c32)C1 ZINC000019562103 556803500 /nfs/dbraw/zinc/80/35/00/556803500.db2.gz RQZFQWSNKBOLCO-GFCCVEGCSA-N 0 0 438.475 5.150 40 0 IKABRN Cc1ncsc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019562136 556803627 /nfs/dbraw/zinc/80/36/27/556803627.db2.gz ZULWFGTUYBIDRS-LBPRGKRZSA-N 0 0 438.500 5.009 40 0 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556812082 /nfs/dbraw/zinc/81/20/82/556812082.db2.gz LFDPTGORKJINSW-QFIPXVFZSA-N 0 0 441.560 5.629 40 0 IKABRN Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)C2)cs1 ZINC000019571736 556812092 /nfs/dbraw/zinc/81/20/92/556812092.db2.gz SDDXBWHFCVIMCD-HYVNUMGLSA-N 0 0 436.572 5.093 40 0 IKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 ZINC000409118796 556812231 /nfs/dbraw/zinc/81/22/31/556812231.db2.gz QFAQHRCGLSTBNB-UHFFFAOYSA-N 0 0 437.008 5.903 40 0 IKABRN Cc1ccc(S(=O)(=O)Oc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000409119377 556812469 /nfs/dbraw/zinc/81/24/69/556812469.db2.gz SIXGFQSESZYVKA-UHFFFAOYSA-N 0 0 445.540 6.167 40 0 IKABRN COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409119772 556813732 /nfs/dbraw/zinc/81/37/32/556813732.db2.gz UEOFJYZEPCBEIO-UHFFFAOYSA-N 0 0 431.941 5.345 40 0 IKABRN CCOc1cc(Br)c(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1OC ZINC000409119745 556813734 /nfs/dbraw/zinc/81/37/34/556813734.db2.gz UDNYYPSJXSMHEN-YVLHZVERSA-N 0 0 430.342 5.400 40 0 IKABRN CCCOc1c(Br)cc(Br)cc1CNc1ccc(CC)cc1 ZINC000409120271 556814165 /nfs/dbraw/zinc/81/41/65/556814165.db2.gz UVRYRKCLCPPEHD-UHFFFAOYSA-N 0 0 427.180 6.175 40 0 IKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409120596 556814359 /nfs/dbraw/zinc/81/43/59/556814359.db2.gz UMGXTXQGFBTZHH-UHFFFAOYSA-N 0 0 430.375 7.200 40 0 IKABRN COc1cc(CNc2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409120775 556814384 /nfs/dbraw/zinc/81/43/84/556814384.db2.gz TYTQGJQAWVJCFF-UHFFFAOYSA-N 0 0 431.941 5.345 40 0 IKABRN Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1C ZINC000409121120 556814854 /nfs/dbraw/zinc/81/48/54/556814854.db2.gz YLJNOSLYMQWKEM-UHFFFAOYSA-N 0 0 430.773 6.910 40 0 IKABRN CCCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1C ZINC000409121363 556815087 /nfs/dbraw/zinc/81/50/87/556815087.db2.gz WKJDNJVTRXTVRR-UHFFFAOYSA-N 0 0 427.180 6.229 40 0 IKABRN CCCOc1c(Br)cc(CNc2ccccc2CC)cc1Br ZINC000409121463 556815113 /nfs/dbraw/zinc/81/51/13/556815113.db2.gz VHNWGEWOPVDKCU-UHFFFAOYSA-N 0 0 427.180 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556849204 /nfs/dbraw/zinc/84/92/04/556849204.db2.gz VVYIDIKPPGFWDG-UUYOSTAYSA-N 0 0 436.552 6.083 40 0 IKABRN COCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000409136472 556849334 /nfs/dbraw/zinc/84/93/34/556849334.db2.gz UTLYIPHFYSAGIT-FYJGNVAPSA-N 0 0 440.952 5.334 40 0 IKABRN COc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000008829053 556849501 /nfs/dbraw/zinc/84/95/01/556849501.db2.gz UJUKOPKOKIYXDJ-UHFFFAOYSA-N 0 0 447.560 5.146 40 0 IKABRN O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000008829351 556849752 /nfs/dbraw/zinc/84/97/52/556849752.db2.gz QDWOCDCTDZOXKM-UHFFFAOYSA-N 0 0 434.948 6.076 40 0 IKABRN COc1ccc(Cl)cc1NC(=O)CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000008892289 556850949 /nfs/dbraw/zinc/85/09/49/556850949.db2.gz HWXLJWZYXUDBHW-UHFFFAOYSA-N 0 0 435.351 5.416 40 0 IKABRN CCOc1cc(Br)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1O ZINC000409137391 556854233 /nfs/dbraw/zinc/85/42/33/556854233.db2.gz WFBQAGGNQDWCJB-CXUHLZMHSA-N 0 0 440.359 5.170 40 0 IKABRN CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1 ZINC000019697684 556855255 /nfs/dbraw/zinc/85/52/55/556855255.db2.gz ZCIQFQWSQRMYKS-QFIPXVFZSA-N 0 0 445.588 5.161 40 0 IKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)S2)cc1 ZINC000408790565 556856153 /nfs/dbraw/zinc/85/61/53/556856153.db2.gz SKQOFVCPRARKEW-LWUPDDLQSA-N 0 0 434.536 5.567 40 0 IKABRN Cc1nnc2n1C[C@H](c1cccc(C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)c1)CC2 ZINC000019698223 556856390 /nfs/dbraw/zinc/85/63/90/556856390.db2.gz CXXGENLUEWLHPR-HXUWFJFHSA-N 0 0 442.494 5.500 40 0 IKABRN Cc1nnc2n1C[C@@H](c1cccc(C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)c1)CC2 ZINC000019698224 556856446 /nfs/dbraw/zinc/85/64/46/556856446.db2.gz CXXGENLUEWLHPR-FQEVSTJZSA-N 0 0 442.494 5.500 40 0 IKABRN Cc1cc2c(cc1/C=C1\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C1=O)OCO2 ZINC000408800371 556857929 /nfs/dbraw/zinc/85/79/29/556857929.db2.gz OOFLGWQYBVUHQA-XNHXYUIGSA-N 0 0 435.569 5.778 40 0 IKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 ZINC000408806630 556859124 /nfs/dbraw/zinc/85/91/24/556859124.db2.gz ANHRBEWMMSLVMU-UHFFFAOYSA-N 0 0 439.919 5.821 40 0 IKABRN Cc1c(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1C ZINC000408810309 556862156 /nfs/dbraw/zinc/86/21/56/556862156.db2.gz IPNKNKMUWUSJHP-JGHMOANSSA-N 0 0 444.624 6.541 40 0 IKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1Nc1ccccc1 ZINC000408812343 556863040 /nfs/dbraw/zinc/86/30/40/556863040.db2.gz SHTJXXGGZNGKKB-HHHVYQHMSA-N 0 0 429.968 6.533 40 0 IKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1Nc1ccccc1 ZINC000408818583 556864560 /nfs/dbraw/zinc/86/45/60/556864560.db2.gz XHSCPYMUNALICH-NBAINJDCSA-N 0 0 433.641 7.038 40 0 IKABRN CCOc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408818915 556864813 /nfs/dbraw/zinc/86/48/13/556864813.db2.gz PKTBSCMOHVDGCG-WJDWOHSUSA-N 0 0 434.311 5.097 40 0 IKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1OC ZINC000408813785 556865027 /nfs/dbraw/zinc/86/50/27/556865027.db2.gz 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ZINC000408825087 556866465 /nfs/dbraw/zinc/86/64/65/556866465.db2.gz RHOSEDUNFZUZOG-ODLFYWEKSA-N 0 0 441.350 5.427 40 0 IKABRN CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(OC)c(OC)c1 ZINC000408826178 556866546 /nfs/dbraw/zinc/86/65/46/556866546.db2.gz BSFNZICSDXFDHT-UHFFFAOYSA-N 0 0 440.609 5.935 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408831495 556866702 /nfs/dbraw/zinc/86/67/02/556866702.db2.gz ZRYVSWKUZBKSBQ-JLPGSUDCSA-N 0 0 445.540 6.214 40 0 IKABRN Cc1ccc(-c2sc(NC(=O)c3ccccc3Br)nc2-c2ccccc2)cc1 ZINC000408832924 556866707 /nfs/dbraw/zinc/86/67/07/556866707.db2.gz SFERHUDTOKDTBP-UHFFFAOYSA-N 0 0 449.373 6.800 40 0 IKABRN Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000408831978 556866709 /nfs/dbraw/zinc/86/67/09/556866709.db2.gz QMRWQIYSZNBNRP-UHFFFAOYSA-N 0 0 446.575 7.705 40 0 IKABRN CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(OCC)cc1 ZINC000408832064 556866725 /nfs/dbraw/zinc/86/67/25/556866725.db2.gz PUIZDXCAUTWIQY-UHFFFAOYSA-N 0 0 445.382 6.176 40 0 IKABRN CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(Cl)cc1 ZINC000408834934 556866950 /nfs/dbraw/zinc/86/69/50/556866950.db2.gz WGXRYZZCEZHHKA-UHFFFAOYSA-N 0 0 435.774 6.431 40 0 IKABRN O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccc(O)cc1 ZINC000408840313 556867266 /nfs/dbraw/zinc/86/72/66/556867266.db2.gz AMELASIUMSWWPB-NTUHNPAUSA-N 0 0 434.698 5.367 40 0 IKABRN CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl ZINC000409138754 556873321 /nfs/dbraw/zinc/87/33/21/556873321.db2.gz HODMHOZPLZIGHE-QGOAFFKASA-N 0 0 436.360 6.061 40 0 IKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl ZINC000409141358 556873606 /nfs/dbraw/zinc/87/36/06/556873606.db2.gz JKRKTMKYEYOQRG-WASCAKKMSA-N 0 0 429.969 6.186 40 0 IKABRN CCOc1cc(C[C@H]2SC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409144304 556873837 /nfs/dbraw/zinc/87/38/37/556873837.db2.gz XWRKOHXCKAYUQG-GOSISDBHSA-N 0 0 437.920 5.083 40 0 IKABRN COc1ccc2ccc(OC)c(C[C@H]3SC(=O)N(c4cccc(Cl)c4)C3=O)c2c1 ZINC000409142915 556873910 /nfs/dbraw/zinc/87/39/10/556873910.db2.gz FLQXBULJKCRIEZ-HXUWFJFHSA-N 0 0 427.909 5.322 40 0 IKABRN CCN1C(=O)S[C@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000409145350 556874376 /nfs/dbraw/zinc/87/43/76/556874376.db2.gz NVNAERKQVGJMAV-MRXNPFEDSA-N 0 0 428.312 5.338 40 0 IKABRN CCCN1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O ZINC000409146150 556874567 /nfs/dbraw/zinc/87/45/67/556874567.db2.gz RRGMJDNDNWGIRQ-JAIQZWGSSA-N 0 0 428.916 5.928 40 0 IKABRN CC(C)N1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O ZINC000409148703 556875473 /nfs/dbraw/zinc/87/54/73/556875473.db2.gz ZXDJVDOYSMFWJM-JMIUGGIZSA-N 0 0 428.916 5.927 40 0 IKABRN O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1CCCc1ccccc1 ZINC000409149225 556876053 /nfs/dbraw/zinc/87/60/53/556876053.db2.gz ZGTYZVOVCCCTNR-ODLFYWEKSA-N 0 0 441.350 5.600 40 0 IKABRN Clc1ccc(OCc2nnc(SCc3ccc(Br)cc3)o2)c(Cl)c1 ZINC000408877409 556876919 /nfs/dbraw/zinc/87/69/19/556876919.db2.gz RLJTZVUPSCVNEL-UHFFFAOYSA-N 0 0 446.153 6.010 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2CC)cc1 ZINC000409152413 556878501 /nfs/dbraw/zinc/87/85/01/556878501.db2.gz FCZZPKGKHJQLKM-INIZCTEOSA-N 0 0 442.560 5.179 40 0 IKABRN O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1cccc(Br)c1 ZINC000409153720 556878909 /nfs/dbraw/zinc/87/89/09/556878909.db2.gz MUPNJVALWSDYDJ-DHDCSXOGSA-N 0 0 442.256 5.704 40 0 IKABRN CCOc1ccc(Nc2nc3c(s2)CCc2c(Br)ccc(OC)c2-3)cc1 ZINC000408887595 556879288 /nfs/dbraw/zinc/87/92/88/556879288.db2.gz PEQAMYFKWUQQGV-UHFFFAOYSA-N 0 0 431.355 5.822 40 0 IKABRN O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1cccc(Br)c1 ZINC000409156555 556879987 /nfs/dbraw/zinc/87/99/87/556879987.db2.gz GIKSHYTZMWCZNS-UNOMPAQXSA-N 0 0 440.318 5.946 40 0 IKABRN O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409157900 556880651 /nfs/dbraw/zinc/88/06/51/556880651.db2.gz WDDROQQKONMUDJ-UHFFFAOYSA-N 0 0 443.834 5.095 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(F)cc1 ZINC000408905910 556884209 /nfs/dbraw/zinc/88/42/09/556884209.db2.gz AUUGPVOMHRLRJI-UHFFFAOYSA-N 0 0 439.295 5.186 40 0 IKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000408906154 556884375 /nfs/dbraw/zinc/88/43/75/556884375.db2.gz CQVPQKXEQIWLLI-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1C ZINC000408906276 556884379 /nfs/dbraw/zinc/88/43/79/556884379.db2.gz FCXRWBYYRUBDQU-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN O=C(COc1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408906562 556884383 /nfs/dbraw/zinc/88/43/83/556884383.db2.gz HIOCRNXZSDDIPT-UHFFFAOYSA-N 0 0 439.191 5.729 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000408921369 556891014 /nfs/dbraw/zinc/89/10/14/556891014.db2.gz GWMKGLDMOCOYIS-FMIVXFBMSA-N 0 0 428.384 7.246 40 0 IKABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1Cl ZINC000408918361 556891417 /nfs/dbraw/zinc/89/14/17/556891417.db2.gz JOPPJWLZZFDWLB-NFJKTXFASA-N 0 0 434.322 5.396 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)SCc3ccccc3)cc2)c1 ZINC000408922298 556891492 /nfs/dbraw/zinc/89/14/92/556891492.db2.gz ZDESBLHGYAEILG-SFHVURJKSA-N 0 0 440.590 5.056 40 0 IKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000408923333 556892434 /nfs/dbraw/zinc/89/24/34/556892434.db2.gz WAQUSOTWIORJFO-HNNXBMFYSA-N 0 0 446.981 5.260 40 0 IKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CCSc1ccc(Cl)cc1 ZINC000408927024 556892563 /nfs/dbraw/zinc/89/25/63/556892563.db2.gz SCKSHMKAVBKZJK-UHFFFAOYSA-N 0 0 428.022 7.062 40 0 IKABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000408931833 556892876 /nfs/dbraw/zinc/89/28/76/556892876.db2.gz QUYFDYFQRWGRPX-CCOVPTLTSA-N 0 0 449.334 5.272 40 0 IKABRN Cc1cc(C)cc(CSCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000408927243 556892984 /nfs/dbraw/zinc/89/29/84/556892984.db2.gz UOKSHRXMSQYPBO-UHFFFAOYSA-N 0 0 428.450 5.893 40 0 IKABRN O=C1N/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000408930612 556894373 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445.375 6.275 40 0 IKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)c(C)c3s2)n1 ZINC000072228682 556901176 /nfs/dbraw/zinc/90/11/76/556901176.db2.gz XLPZRUXQLZFHBY-UHFFFAOYSA-N 0 0 434.565 5.755 40 0 IKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4cccc5ccccc54)c(C)c3s2)n1 ZINC000072228629 556901179 /nfs/dbraw/zinc/90/11/79/556901179.db2.gz XMTXZTHFYGQYGL-UHFFFAOYSA-N 0 0 426.545 6.121 40 0 IKABRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000409158749 556902022 /nfs/dbraw/zinc/90/20/22/556902022.db2.gz YUQDWZCFVSHUTF-UYAOXDASSA-N 0 0 444.645 5.096 40 0 IKABRN C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+]([C@H](C(=O)[O-])c1c[nH]c3cc(OCc4ccccc4)ccc31)C2 ZINC000036351246 556902281 /nfs/dbraw/zinc/90/22/81/556902281.db2.gz IHTUQSVNUBACSA-BNAYCWRJSA-N 0 0 432.564 5.773 40 0 IKABRN C[C@]12C[C@H](CC(C)(C)C1)[N@@H+]([C@H](C(=O)[O-])c1c[nH]c3cc(OCc4ccccc4)ccc31)C2 ZINC000036351244 556902437 /nfs/dbraw/zinc/90/24/37/556902437.db2.gz IHTUQSVNUBACSA-SZJUTTIESA-N 0 0 432.564 5.773 40 0 IKABRN O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000408972050 556902999 /nfs/dbraw/zinc/90/29/99/556902999.db2.gz RGKLTTMRLBREJJ-MLPAPPSSSA-N 0 0 443.138 6.859 40 0 IKABRN O=C(Nc1cccc2ccccc21)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408972098 556903091 /nfs/dbraw/zinc/90/30/91/556903091.db2.gz QCKOYMKUKMSAMP-UHFFFAOYSA-N 0 0 427.331 5.638 40 0 IKABRN COc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(C(C)C)cc4)C(=O)O3)sc2c1Cl ZINC000408969173 556903981 /nfs/dbraw/zinc/90/39/81/556903981.db2.gz IOFHBUWMXPSMRP-GDNBJRDFSA-N 0 0 446.355 6.685 40 0 IKABRN CC(C)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 ZINC000408972435 556904490 /nfs/dbraw/zinc/90/44/90/556904490.db2.gz BTHTUGPDWVDXTK-WOJGMQOQSA-N 0 0 431.355 5.678 40 0 IKABRN Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1C ZINC000408973950 556904878 /nfs/dbraw/zinc/90/48/78/556904878.db2.gz RDZMNCYMZQYORL-AREMUKBSSA-N 0 0 430.573 5.372 40 0 IKABRN N=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000408975388 556905648 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6.311 40 0 IKABRN O=c1[nH]c(-c2ccc(Sc3cccc4cccnc43)o2)nc2sc3c(c21)CCCC3 ZINC000408993822 556913008 /nfs/dbraw/zinc/91/30/08/556913008.db2.gz WZZAMMPMBXOBKF-UHFFFAOYSA-N 0 0 431.542 6.235 40 0 IKABRN COc1cc2c(cc1OC)[C@H](CCc1c(C)noc1C)N(C(=O)c1ccc(C)s1)CC2 ZINC000072342720 556914645 /nfs/dbraw/zinc/91/46/45/556914645.db2.gz BSQUNXDNCDDUBP-FQEVSTJZSA-N 0 0 440.565 5.051 40 0 IKABRN O=C(CCNC(=O)OCc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409002495 556914816 /nfs/dbraw/zinc/91/48/16/556914816.db2.gz NUTNMXYXWUQNIN-UHFFFAOYSA-N 0 0 432.564 5.409 40 0 IKABRN O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)Nc1cccc2ccccc21 ZINC000409004347 556915099 /nfs/dbraw/zinc/91/50/99/556915099.db2.gz ANHVXQBRTASQFD-UHFFFAOYSA-N 0 0 441.512 5.686 40 0 IKABRN Cc1cc(I)cc(C)c1NC(=O)CSc1cccc2cccnc21 ZINC000409005905 556915797 /nfs/dbraw/zinc/91/57/97/556915797.db2.gz GZBYMOVNOFGYCV-UHFFFAOYSA-N 0 0 448.329 5.187 40 0 IKABRN Cc1nc([C@@H]2CCCN2Cc2cn(C(C)C)c3cc(F)ccc23)ncc1C(=O)N1CCCC1 ZINC000072345435 556917057 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COc1ccc(-c2cccc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)cc1 ZINC000072349669 556919742 /nfs/dbraw/zinc/91/97/42/556919742.db2.gz YHNVSGAYVYTHSH-FQEVSTJZSA-N 0 0 425.532 5.187 40 0 IKABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349872 556919962 /nfs/dbraw/zinc/91/99/62/556919962.db2.gz AGCVXJSDKZIWPH-QGZVFWFLSA-N 0 0 445.510 5.476 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)cc1 ZINC000072349882 556920014 /nfs/dbraw/zinc/92/00/14/556920014.db2.gz KEVCXWZAAPYDCC-UHFFFAOYSA-N 0 0 447.966 5.304 40 0 IKABRN C[C@@H]1Cc2c(c(Nc3cccc(C(F)(F)F)c3)nn2-c2nc3ccccc3s2)C(=O)C1 ZINC000019817261 556920022 /nfs/dbraw/zinc/92/00/22/556920022.db2.gz KENCCSWHEDEVDD-GFCCVEGCSA-N 0 0 442.466 6.009 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cc1 ZINC000072349883 556920039 /nfs/dbraw/zinc/92/00/39/556920039.db2.gz WSMPPSWYXNSUNT-NRFANRHFSA-N 0 0 447.966 5.304 40 0 IKABRN CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O ZINC000409019107 556920052 /nfs/dbraw/zinc/92/00/52/556920052.db2.gz IHBSVSGUGZTMCB-BIKZULFDSA-N 0 0 440.568 6.678 40 0 IKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000409016809 556921619 /nfs/dbraw/zinc/92/16/19/556921619.db2.gz VVDXKYNKEWPWGM-OTGIAGGSSA-N 0 0 436.360 6.407 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409020580 556922015 /nfs/dbraw/zinc/92/20/15/556922015.db2.gz QSFLOHIQONXNRX-KGENOOAVSA-N 0 0 448.906 5.415 40 0 IKABRN Cc1cccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CN(Cc2ccccc2)CC4)c1C ZINC000019819713 556923059 /nfs/dbraw/zinc/92/30/59/556923059.db2.gz XRYMWHOHYLAYBI-UHFFFAOYSA-N 0 0 433.602 5.285 40 0 IKABRN CCc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CN(Cc2ccccc2)CC4)cc1 ZINC000019819699 556923118 /nfs/dbraw/zinc/92/31/18/556923118.db2.gz PLYSAUSNLVCEOT-UHFFFAOYSA-N 0 0 433.602 5.230 40 0 IKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000409023150 556923266 /nfs/dbraw/zinc/92/32/66/556923266.db2.gz SGOVDSZQQKWRCJ-UHFFFAOYSA-N 0 0 445.268 5.503 40 0 IKABRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O ZINC000409020418 556924276 /nfs/dbraw/zinc/92/42/76/556924276.db2.gz PAZGPZTZPHORKI-SYXCRGJESA-N 0 0 447.556 6.262 40 0 IKABRN CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)NCC(C)(C)c2cccc(F)c2)C1 ZINC000072352616 556924834 /nfs/dbraw/zinc/92/48/34/556924834.db2.gz MDQVEUNVAWGJFA-KRWDZBQOSA-N 0 0 438.568 5.084 40 0 IKABRN O=C(CCSc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl ZINC000409028786 556924943 /nfs/dbraw/zinc/92/49/43/556924943.db2.gz SNCUMLHHDAYHSI-UHFFFAOYSA-N 0 0 434.841 6.179 40 0 IKABRN Cc1cccc(Nc2ccc([C@@H]3CCCN3C(=O)CCc3nc4ccccc4s3)nc2)n1 ZINC000072353088 556925400 /nfs/dbraw/zinc/92/54/00/556925400.db2.gz DRFDSKJBFLCRDC-NRFANRHFSA-N 0 0 443.576 5.435 40 0 IKABRN Cc1cccc(Nc2ccc([C@H]3CCCN3C(=O)CCc3nc4ccccc4s3)nc2)n1 ZINC000072353089 556925436 /nfs/dbraw/zinc/92/54/36/556925436.db2.gz DRFDSKJBFLCRDC-OAQYLSRUSA-N 0 0 443.576 5.435 40 0 IKABRN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCC[C@@H]1c1ccc(Nc2cnccn2)cn1 ZINC000072353136 556925694 /nfs/dbraw/zinc/92/56/94/556925694.db2.gz QEZPXTFGJBXNCT-OAQYLSRUSA-N 0 0 427.508 5.264 40 0 IKABRN Cc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409027019 556926417 /nfs/dbraw/zinc/92/64/17/556926417.db2.gz QJPHZVVULODWRR-UHFFFAOYSA-N 0 0 449.359 5.136 40 0 IKABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)s1 ZINC000072353970 556928618 /nfs/dbraw/zinc/92/86/18/556928618.db2.gz XEUHZRODVPCQNU-HXUWFJFHSA-N 0 0 440.012 5.727 40 0 IKABRN Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 ZINC000072354024 556928850 /nfs/dbraw/zinc/92/88/50/556928850.db2.gz VXUAPGKWALFUDF-HXUWFJFHSA-N 0 0 448.998 5.256 40 0 IKABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000072354044 556928883 /nfs/dbraw/zinc/92/88/83/556928883.db2.gz VBVVUBZTVABQJM-LJQANCHMSA-N 0 0 425.985 5.419 40 0 IKABRN Cc1ncsc1C(=O)N1CCC[C@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 ZINC000072354043 556928894 /nfs/dbraw/zinc/92/88/94/556928894.db2.gz LCHGKGXHKLNVJJ-IBGZPJMESA-N 0 0 425.985 5.419 40 0 IKABRN COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cc1 ZINC000072354140 556929051 /nfs/dbraw/zinc/92/90/51/556929051.db2.gz MJNUYBIWOCCLSV-XMMPIXPASA-N 0 0 432.539 5.286 40 0 IKABRN COCc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)cc1 ZINC000072354139 556929168 /nfs/dbraw/zinc/92/91/68/556929168.db2.gz ZTPXZXMVSHDKMP-SANMLTNESA-N 0 0 428.576 5.455 40 0 IKABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)n1 ZINC000072354167 556929333 /nfs/dbraw/zinc/92/93/33/556929333.db2.gz PZEPIRSACFJIAE-NRFANRHFSA-N 0 0 434.971 5.061 40 0 IKABRN Cc1ccn2cc(C(=O)N3CCC[C@H](c4cc(Cc5ccccc5C)cc(C)n4)C3)nc2c1 ZINC000072354194 556929359 /nfs/dbraw/zinc/92/93/59/556929359.db2.gz LFIOLRPGPJQVMK-DEOSSOPVSA-N 0 0 438.575 5.265 40 0 IKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072356089 556930750 /nfs/dbraw/zinc/93/07/50/556930750.db2.gz WZVSOTZBQCZIAD-NRFANRHFSA-N 0 0 439.481 5.414 40 0 IKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072356088 556930780 /nfs/dbraw/zinc/93/07/80/556930780.db2.gz WZVSOTZBQCZIAD-OAQYLSRUSA-N 0 0 439.481 5.414 40 0 IKABRN Cc1nc2ccc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)cc2nc1C ZINC000072356483 556931273 /nfs/dbraw/zinc/93/12/73/556931273.db2.gz SLCIKVZMYXYNIO-NRFANRHFSA-N 0 0 440.522 5.468 40 0 IKABRN Cn1cnc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5cccc(Cl)c5)n4)C3)ccc21 ZINC000072356466 556931321 /nfs/dbraw/zinc/93/13/21/556931321.db2.gz JITOIROIUIJKEO-LJQANCHMSA-N 0 0 430.939 5.309 40 0 IKABRN O=C(c1ccc(F)cc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072359351 556932549 /nfs/dbraw/zinc/93/25/49/556932549.db2.gz UGIMUCGVSXDKKS-UHFFFAOYSA-N 0 0 429.417 5.321 40 0 IKABRN CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 ZINC000072370039 556933700 /nfs/dbraw/zinc/93/37/00/556933700.db2.gz VPFWOTDGJUMXME-VWLOTQADSA-N 0 0 431.511 5.522 40 0 IKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)Nc3ccccc32)n1 ZINC000072370044 556933751 /nfs/dbraw/zinc/93/37/51/556933751.db2.gz NDARRHWQEHCKNI-RCZVLFRGSA-N 0 0 443.522 5.376 40 0 IKABRN Cc1cc(C)n2nc(C(=O)N3CCCC[C@@H]3c3cc(-c4ccc(F)cc4)cc(C)n3)cc2n1 ZINC000072370049 556933754 /nfs/dbraw/zinc/93/37/54/556933754.db2.gz ZQBCOKRNRIDJRM-XMMPIXPASA-N 0 0 443.526 5.223 40 0 IKABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)c1ccccn1 ZINC000072370664 556935882 /nfs/dbraw/zinc/93/58/82/556935882.db2.gz XDQLWXCEVMYIQL-GOSISDBHSA-N 0 0 435.593 5.062 40 0 IKABRN Clc1ccc(COc2ccc(-c3cc(-c4ccc(Cl)cc4)nc4ncnn43)cc2)cc1 ZINC000409059006 556936363 /nfs/dbraw/zinc/93/63/63/556936363.db2.gz QFVVQKKNPLMXTK-UHFFFAOYSA-N 0 0 447.325 6.344 40 0 IKABRN COc1ccc(NC(=O)c2sc3ccccc3c2C[C@@H]2CCCCCN2C(C)=O)cc1 ZINC000072370820 556936860 /nfs/dbraw/zinc/93/68/60/556936860.db2.gz YZANHQPEACQVSY-IBGZPJMESA-N 0 0 436.577 5.496 40 0 IKABRN O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000409059952 556936946 /nfs/dbraw/zinc/93/69/46/556936946.db2.gz ZDAUCYQOGUXRSK-UHFFFAOYSA-N 0 0 428.916 5.924 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000409062407 556940019 /nfs/dbraw/zinc/94/00/19/556940019.db2.gz UEFQQLZFWSMBOO-JLPGSUDCSA-N 0 0 447.556 6.264 40 0 IKABRN CCCCN1C(=O)S/C(=C\c2cc(OCC)c(OCC)cc2Br)C1=O ZINC000409062420 556940109 /nfs/dbraw/zinc/94/01/09/556940109.db2.gz UPLKTCNMCYVIQI-YBEGLDIGSA-N 0 0 428.348 5.083 40 0 IKABRN O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000409063856 556940606 /nfs/dbraw/zinc/94/06/06/556940606.db2.gz NQGCMGDEGZUKQB-UHFFFAOYSA-N 0 0 432.951 5.176 40 0 IKABRN CCOc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)cc1 ZINC000409067374 556942382 /nfs/dbraw/zinc/94/23/82/556942382.db2.gz QNDJVLBKBDUIIA-HZHRSRAPSA-N 0 0 433.891 5.662 40 0 IKABRN O=C1N/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccccc1F ZINC000409068152 556942636 /nfs/dbraw/zinc/94/26/36/556942636.db2.gz FWHJUBRFEZWYQK-YVLHZVERSA-N 0 0 431.250 5.485 40 0 IKABRN COc1ccc(CCC(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1 ZINC000072372542 556943175 /nfs/dbraw/zinc/94/31/75/556943175.db2.gz LRVITRPARYUEBK-QFIPXVFZSA-N 0 0 436.581 5.203 40 0 IKABRN Cc1cnc(Nc2cc(C)nc([C@@H]3CCCN3C(=O)c3oc4ccccc4c3C)c2)s1 ZINC000072372582 556943207 /nfs/dbraw/zinc/94/32/07/556943207.db2.gz UUANQWBJKPLAKY-FQEVSTJZSA-N 0 0 432.549 5.930 40 0 IKABRN Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 ZINC000072372644 556943433 /nfs/dbraw/zinc/94/34/33/556943433.db2.gz DYQKKOYBEXURES-VWLOTQADSA-N 0 0 439.563 5.615 40 0 IKABRN O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1F ZINC000409075445 556943866 /nfs/dbraw/zinc/94/38/66/556943866.db2.gz VQGVPNJKAMPEHR-FYJGNVAPSA-N 0 0 438.911 5.723 40 0 IKABRN Brc1ccc(-c2nc(SCc3cccc(Br)c3)n[nH]2)cc1 ZINC000019927922 556945871 /nfs/dbraw/zinc/94/58/71/556945871.db2.gz PFVAWYNSXBKNBP-UHFFFAOYSA-N 0 0 425.149 5.289 40 0 IKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)cc1C ZINC000019928018 556946010 /nfs/dbraw/zinc/94/60/10/556946010.db2.gz YZQBIZAMLGCLDP-UHFFFAOYSA-N 0 0 437.443 5.015 40 0 IKABRN CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccccc1Cl ZINC000019928311 556946134 /nfs/dbraw/zinc/94/61/34/556946134.db2.gz REULVTNHMIQXIR-UHFFFAOYSA-N 0 0 432.336 5.614 40 0 IKABRN Brc1ccc(-c2nnc(SCc3cccc(Br)c3)o2)cc1 ZINC000019927968 556946145 /nfs/dbraw/zinc/94/61/45/556946145.db2.gz UVAJGGKZAGROLI-UHFFFAOYSA-N 0 0 426.133 5.554 40 0 IKABRN Clc1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)cc1 ZINC000019928750 556946539 /nfs/dbraw/zinc/94/65/39/556946539.db2.gz NGRHCLAVXJNAJI-UHFFFAOYSA-N 0 0 439.711 6.039 40 0 IKABRN CC(C)(C)c1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 ZINC000409074146 556947022 /nfs/dbraw/zinc/94/70/22/556947022.db2.gz YEKDSHBOQVCTEC-LFVJCYFKSA-N 0 0 445.946 6.561 40 0 IKABRN Fc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409085643 556948514 /nfs/dbraw/zinc/94/85/14/556948514.db2.gz FCHBOJQHNKYODC-UHFFFAOYSA-N 0 0 445.950 7.172 40 0 IKABRN O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409085654 556948755 /nfs/dbraw/zinc/94/87/55/556948755.db2.gz FEJZPQGASCEXLK-BKUYFWCQSA-N 0 0 438.346 6.113 40 0 IKABRN CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)N(C4CCCCC4)C(=S)N3C)c2c1 ZINC000409078081 556948814 /nfs/dbraw/zinc/94/88/14/556948814.db2.gz HPEKGOWMMPJDMP-JWGURIENSA-N 0 0 438.593 5.370 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000019931360 556948786 /nfs/dbraw/zinc/94/87/86/556948786.db2.gz LMEBMJMCHDYMOE-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CCc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)cc1 ZINC000409092823 556949257 /nfs/dbraw/zinc/94/92/57/556949257.db2.gz ZJZGVWMMSKPUEI-UHFFFAOYSA-N 0 0 432.524 5.367 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409094056 556949758 /nfs/dbraw/zinc/94/97/58/556949758.db2.gz BSFQCDSUNHGSCT-UHFFFAOYSA-N 0 0 448.979 5.305 40 0 IKABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000019933525 556949928 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CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1Cl ZINC000408561318 557039995 /nfs/dbraw/zinc/03/99/95/557039995.db2.gz HRYBCSYHTHQGQQ-QOCHGBHMSA-N 0 0 435.774 5.702 40 0 IKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000408562228 557040283 /nfs/dbraw/zinc/04/02/83/557040283.db2.gz OFCLPNMJHDGENS-ROMGYVFFSA-N 0 0 449.447 6.495 40 0 IKABRN O=C(CSCc1ccccc1Br)Nc1ccccc1Oc1ccccc1 ZINC000408562656 557040486 /nfs/dbraw/zinc/04/04/86/557040486.db2.gz DWEBEIBIVAQUMS-UHFFFAOYSA-N 0 0 428.351 6.113 40 0 IKABRN CCCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(Cl)cc1 ZINC000408563242 557040491 /nfs/dbraw/zinc/04/04/91/557040491.db2.gz UXMTXZHGWGBFFY-PNHLSOANSA-N 0 0 443.056 6.486 40 0 IKABRN CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@](O)(c2ccc(Cl)cc2)C1 ZINC000408562858 557040506 /nfs/dbraw/zinc/04/05/06/557040506.db2.gz FQEHAGRZWCTJKT-XMMPIXPASA-N 0 0 426.944 5.220 40 0 IKABRN S=C(NCc1ccccc1Cl)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408572013 557040727 /nfs/dbraw/zinc/04/07/27/557040727.db2.gz DVFKZWGDFJQMIF-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN CCOc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccccc1Cl ZINC000408571867 557040853 /nfs/dbraw/zinc/04/08/53/557040853.db2.gz CZKZCXPKEUJOML-UHFFFAOYSA-N 0 0 425.981 6.091 40 0 IKABRN CC(C)Oc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000408563451 557040875 /nfs/dbraw/zinc/04/08/75/557040875.db2.gz MXFJKRGYBMZLEC-AREMUKBSSA-N 0 0 446.572 5.500 40 0 IKABRN COc1ccccc1CNC(=S)c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000408572067 557041033 /nfs/dbraw/zinc/04/10/33/557041033.db2.gz FCDRIJFCXNGKED-UHFFFAOYSA-N 0 0 427.953 5.402 40 0 IKABRN S=C(NCc1ccccc1Cl)c1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000408572407 557041046 /nfs/dbraw/zinc/04/10/46/557041046.db2.gz GTSIOPHGVXVGPO-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408572316 557041053 /nfs/dbraw/zinc/04/10/53/557041053.db2.gz GCBRUGGQUCXZQP-INIZCTEOSA-N 0 0 426.365 5.025 40 0 IKABRN S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408572221 557041079 /nfs/dbraw/zinc/04/10/79/557041079.db2.gz FRFQBONXFBZDET-UHFFFAOYSA-N 0 0 446.355 5.766 40 0 IKABRN COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408572434 557041099 /nfs/dbraw/zinc/04/10/99/557041099.db2.gz GZIOQRKEQOVGOZ-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN Cc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000409263217 557041073 /nfs/dbraw/zinc/04/10/73/557041073.db2.gz LRPLQDKDQQGEKZ-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408573237 557041390 /nfs/dbraw/zinc/04/13/90/557041390.db2.gz JHZPANDEJANHAA-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN Cc1ccccc1Oc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 ZINC000408568131 557041695 /nfs/dbraw/zinc/04/16/95/557041695.db2.gz IBAHWLLLOTTWJN-UHFFFAOYSA-N 0 0 437.586 6.283 40 0 IKABRN CCCCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000408569271 557041931 /nfs/dbraw/zinc/04/19/31/557041931.db2.gz ZXTQCALVCNSNMP-UHFFFAOYSA-N 0 0 425.706 5.321 40 0 IKABRN S=C(NC[C@H]1CCCO1)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408574940 557042290 /nfs/dbraw/zinc/04/22/90/557042290.db2.gz NCZVPACRFWPXSG-CQSZACIVSA-N 0 0 430.784 5.670 40 0 IKABRN S=C(NCc1ccc(Cl)cc1)c1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000408571509 557042345 /nfs/dbraw/zinc/04/23/45/557042345.db2.gz BLCYZHWVRSZSBQ-UHFFFAOYSA-N 0 0 436.791 6.691 40 0 IKABRN COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000409269945 557042322 /nfs/dbraw/zinc/04/23/22/557042322.db2.gz MKSUGXKGZWTSCH-UHFFFAOYSA-N 0 0 444.531 5.766 40 0 IKABRN S=C(NC[C@@H]1CCCO1)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408574938 557042355 /nfs/dbraw/zinc/04/23/55/557042355.db2.gz NCZVPACRFWPXSG-AWEZNQCLSA-N 0 0 430.784 5.670 40 0 IKABRN COc1cccc(C(=S)NCc2ccccc2)c1OCc1c(Cl)cccc1Cl ZINC000408574723 557042908 /nfs/dbraw/zinc/04/29/08/557042908.db2.gz MMBXSWFNONDOPY-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN COc1ccc(CCNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408577455 557043243 /nfs/dbraw/zinc/04/32/43/557043243.db2.gz SPOCGYODUVGEQH-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN CC1CCN(C(=S)c2ccc(OCc3ccccc3Cl)c(Br)c2)CC1 ZINC000408577069 557043256 /nfs/dbraw/zinc/04/32/56/557043256.db2.gz RDRZMSKNAWAMQX-UHFFFAOYSA-N 0 0 438.818 6.089 40 0 IKABRN COc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408577904 557043595 /nfs/dbraw/zinc/04/35/95/557043595.db2.gz VPEUUVKNWBGJPO-UHFFFAOYSA-N 0 0 432.372 6.046 40 0 IKABRN S=C(NCCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 ZINC000408577908 557043637 /nfs/dbraw/zinc/04/36/37/557043637.db2.gz VQBADNZHTSPJBW-UHFFFAOYSA-N 0 0 426.379 5.536 40 0 IKABRN CCc1ccc(CNC(=S)c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408577597 557043692 /nfs/dbraw/zinc/04/36/92/557043692.db2.gz TYOGCIMKIYYGJC-UHFFFAOYSA-N 0 0 440.406 6.056 40 0 IKABRN COc1cccc(C(=S)NCc2ccc(C)cc2)c1OCc1c(F)cccc1Cl ZINC000408578187 557043951 /nfs/dbraw/zinc/04/39/51/557043951.db2.gz WOUCWENKSUPVDB-UHFFFAOYSA-N 0 0 429.944 5.840 40 0 IKABRN CCOc1cc(C(=S)NCc2ccccc2OC)cc(Cl)c1OCc1ccccc1 ZINC000408578323 557043959 /nfs/dbraw/zinc/04/39/59/557043959.db2.gz XMBNFSLUQGUSCX-UHFFFAOYSA-N 0 0 441.980 5.792 40 0 IKABRN S=C(NC[C@@H]1CCCO1)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000408578541 557044189 /nfs/dbraw/zinc/04/41/89/557044189.db2.gz YNDATMWORYIOPX-ZDUSSCGKSA-N 0 0 430.784 5.670 40 0 IKABRN COc1ccc(CCNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408578524 557044210 /nfs/dbraw/zinc/04/42/10/557044210.db2.gz YKBLZUJOOFPRTD-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN COc1cc(C(=S)NCCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000408578590 557044292 /nfs/dbraw/zinc/04/42/92/557044292.db2.gz ZCDGUZNBUYEAQS-UHFFFAOYSA-N 0 0 446.399 6.089 40 0 IKABRN COc1cc(C(=S)NCc2ccccc2C)ccc1OCc1c(Cl)cccc1Cl ZINC000408578547 557044348 /nfs/dbraw/zinc/04/43/48/557044348.db2.gz YOPJMCOUSDJGHG-UHFFFAOYSA-N 0 0 446.399 6.355 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408581318 557044928 /nfs/dbraw/zinc/04/49/28/557044928.db2.gz WCRXAYXMDXDUQC-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)N1CCCCCC1 ZINC000408581953 557044939 /nfs/dbraw/zinc/04/49/39/557044939.db2.gz BDYIIXIMALQBPD-UHFFFAOYSA-N 0 0 442.368 5.202 40 0 IKABRN CCOc1cc(C(=S)NCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 ZINC000408575406 557045156 /nfs/dbraw/zinc/04/51/56/557045156.db2.gz OEULRZHBTPFBGM-UHFFFAOYSA-N 0 0 429.944 5.922 40 0 IKABRN O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1ccccc1C(F)(F)F ZINC000408583989 557045158 /nfs/dbraw/zinc/04/51/58/557045158.db2.gz ZDGAWPGZQAEWGR-UHFFFAOYSA-N 0 0 437.487 5.287 40 0 IKABRN O=C(Nc1ccccc1Oc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408575563 557045162 /nfs/dbraw/zinc/04/51/62/557045162.db2.gz NXIZMJYMUKBEOG-FCDQGJHFSA-N 0 0 425.915 7.312 40 0 IKABRN S=C(NCc1ccccc1Cl)c1cc(Br)ccc1OCc1ccccc1 ZINC000408576025 557045539 /nfs/dbraw/zinc/04/55/39/557045539.db2.gz PJECYVQPKVTJQD-UHFFFAOYSA-N 0 0 446.797 6.147 40 0 IKABRN COc1ccccc1Oc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000408585910 557045942 /nfs/dbraw/zinc/04/59/42/557045942.db2.gz KCDGYBFNRBNSLA-UHFFFAOYSA-N 0 0 425.484 6.319 40 0 IKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000408585753 557045957 /nfs/dbraw/zinc/04/59/57/557045957.db2.gz HYHJQGIPWYVMPK-UHFFFAOYSA-N 0 0 425.912 6.572 40 0 IKABRN CCCOc1ccc2ccccc2c1C=C1SC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000409226441 557051528 /nfs/dbraw/zinc/05/15/28/557051528.db2.gz WFBAGIDOZMPWMW-HAHDFKILSA-N 0 0 431.513 5.548 40 0 IKABRN CCCN1C(=O)S/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)C1=O ZINC000409229164 557055037 /nfs/dbraw/zinc/05/50/37/557055037.db2.gz KPTXMMXKNFRXDF-HYARGMPZSA-N 0 0 437.948 6.519 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C1=O ZINC000409228781 557055346 /nfs/dbraw/zinc/05/53/46/557055346.db2.gz FBJAWHLJJNMGRM-XDHOZWIPSA-N 0 0 449.931 5.903 40 0 IKABRN Cc1cccc(CN2C(=O)N/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C2=O)c1 ZINC000409230216 557055928 /nfs/dbraw/zinc/05/59/28/557055928.db2.gz XONRQAQSYGOKBB-STZFKDTASA-N 0 0 434.948 5.893 40 0 IKABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000408591363 557056526 /nfs/dbraw/zinc/05/65/26/557056526.db2.gz LLNHQZCXJBWLEG-UHFFFAOYSA-N 0 0 449.882 5.033 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2cccc3ccccc32)n1C ZINC000408597146 557056650 /nfs/dbraw/zinc/05/66/50/557056650.db2.gz XHIUSJRTMPJEOE-UHFFFAOYSA-N 0 0 446.576 5.149 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Br)c(O[C@H](C)CC)c(OC)c2)C1=O ZINC000409230923 557057247 /nfs/dbraw/zinc/05/72/47/557057247.db2.gz GZCUBTWYRQFDSU-HGLKBHAMSA-N 0 0 428.348 5.081 40 0 IKABRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000408593631 557057377 /nfs/dbraw/zinc/05/73/77/557057377.db2.gz MVHMMHYBSKEVTR-UHFFFAOYSA-N 0 0 439.537 5.057 40 0 IKABRN Cn1c2ccc(C(F)(F)F)cc2nc1CCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000082086834 557058247 /nfs/dbraw/zinc/05/82/47/557058247.db2.gz KZKPEQNPSCEUAZ-UHFFFAOYSA-N 0 0 426.364 5.283 40 0 IKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000408594698 557058450 /nfs/dbraw/zinc/05/84/50/557058450.db2.gz JTUXQAAFSAXPFK-UHFFFAOYSA-N 0 0 446.576 5.378 40 0 IKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc4ccccc4c3)C2=O)cc1 ZINC000409231473 557058523 /nfs/dbraw/zinc/05/85/23/557058523.db2.gz JGPRPCUUNUHPQB-YZSQISJMSA-N 0 0 448.522 5.820 40 0 IKABRN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1C(C)(C)C ZINC000409231704 557058526 /nfs/dbraw/zinc/05/85/26/557058526.db2.gz FTQAGYKZXOCVRD-WOJGMQOQSA-N 0 0 445.972 5.188 40 0 IKABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000408595660 557059043 /nfs/dbraw/zinc/05/90/43/557059043.db2.gz LBMRQUNEGSJKOJ-UHFFFAOYSA-N 0 0 438.597 5.150 40 0 IKABRN CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O ZINC000408600839 557061030 /nfs/dbraw/zinc/06/10/30/557061030.db2.gz GMRDXYSWSGJKLM-YBFXNURJSA-N 0 0 444.940 5.112 40 0 IKABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2CC)cc1 ZINC000409328524 557062511 /nfs/dbraw/zinc/06/25/11/557062511.db2.gz WZJMVNGZQYPFLU-UHFFFAOYSA-N 0 0 438.597 5.294 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C ZINC000409328251 557062591 /nfs/dbraw/zinc/06/25/91/557062591.db2.gz QPXFWJKKEVSZAC-UHFFFAOYSA-N 0 0 447.347 5.574 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)CSc3ncn(-c4ccccc4)n3)ccc21 ZINC000408600083 557064024 /nfs/dbraw/zinc/06/40/24/557064024.db2.gz TZXJSIRHRZFBTJ-UHFFFAOYSA-N 0 0 427.533 5.126 40 0 IKABRN Clc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)c(Cl)c1 ZINC000408613605 557067969 /nfs/dbraw/zinc/06/79/69/557067969.db2.gz YSXJPMCMMGXGDB-UHFFFAOYSA-N 0 0 442.773 7.991 40 0 IKABRN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c(C)c1 ZINC000408601927 557068516 /nfs/dbraw/zinc/06/85/16/557068516.db2.gz CJINZMVLFKOCBL-UHFFFAOYSA-N 0 0 442.968 5.627 40 0 IKABRN C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000408602121 557068608 /nfs/dbraw/zinc/06/86/08/557068608.db2.gz CJBFWENYGYSOCU-QGZVFWFLSA-N 0 0 444.512 5.168 40 0 IKABRN CC(C)COc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000408602421 557068810 /nfs/dbraw/zinc/06/88/10/557068810.db2.gz NLCFROZHUDSWRB-RGVLZGJSSA-N 0 0 429.925 5.294 40 0 IKABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408602687 557068867 /nfs/dbraw/zinc/06/88/67/557068867.db2.gz FHTGQLYSAVBVJU-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1cc(Br)ccc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408603594 557069197 /nfs/dbraw/zinc/06/91/97/557069197.db2.gz BVSAHEIASFGEPL-UHFFFAOYSA-N 0 0 434.736 6.741 40 0 IKABRN CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000408605976 557069522 /nfs/dbraw/zinc/06/95/22/557069522.db2.gz ZQODVMDJZPJWJJ-PXLXIMEGSA-N 0 0 446.528 5.304 40 0 IKABRN c1ccc2cc(CSc3nnc(SCc4ccc5ccccc5c4)s3)ccc2c1 ZINC000408606195 557069563 /nfs/dbraw/zinc/06/95/63/557069563.db2.gz PEKRTXJCXBVFGK-UHFFFAOYSA-N 0 0 430.623 7.429 40 0 IKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408606396 557069806 /nfs/dbraw/zinc/06/98/06/557069806.db2.gz LVXALOJDEMORDE-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3Cl)cc2)cc1Cl ZINC000408608084 557070199 /nfs/dbraw/zinc/07/01/99/557070199.db2.gz MPYYWJGIQSFANG-UHFFFAOYSA-N 0 0 449.765 6.585 40 0 IKABRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000408622977 557070849 /nfs/dbraw/zinc/07/08/49/557070849.db2.gz QHWDCROUYVTBJH-YCIYHOANSA-N 0 0 434.322 5.564 40 0 IKABRN Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cc2ccccc2o1 ZINC000409343631 557070990 /nfs/dbraw/zinc/07/09/90/557070990.db2.gz FGEXZKWJWCVEPT-UHFFFAOYSA-N 0 0 433.320 5.266 40 0 IKABRN O=C(OCC(=O)c1ccc(Br)cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408624193 557071220 /nfs/dbraw/zinc/07/12/20/557071220.db2.gz UXORCPPJPVCJGJ-UHFFFAOYSA-N 0 0 437.648 5.541 40 0 IKABRN O=C(Nc1ccc(I)cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408624082 557071250 /nfs/dbraw/zinc/07/12/50/557071250.db2.gz UFQUQMKZJCQFRC-UHFFFAOYSA-N 0 0 441.627 5.596 40 0 IKABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000409344369 557071496 /nfs/dbraw/zinc/07/14/96/557071496.db2.gz IZCJEWDEJSTKIN-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN CCOc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OCc1ccccc1 ZINC000408624258 557071716 /nfs/dbraw/zinc/07/17/16/557071716.db2.gz VDKDGTGKRNRXGK-UHFFFAOYSA-N 0 0 444.300 5.818 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408626747 557071913 /nfs/dbraw/zinc/07/19/13/557071913.db2.gz WKNRTKAYQCUFOP-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cc2c(ccc3ccccc23)o1 ZINC000408629452 557072376 /nfs/dbraw/zinc/07/23/76/557072376.db2.gz BLMYPBJQSCLPFL-UHFFFAOYSA-N 0 0 434.495 5.811 40 0 IKABRN CC(C)c1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1 ZINC000409345163 557072813 /nfs/dbraw/zinc/07/28/13/557072813.db2.gz KCDRJHCIYXASJX-UHFFFAOYSA-N 0 0 440.956 5.736 40 0 IKABRN Cc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1C ZINC000409338055 557073139 /nfs/dbraw/zinc/07/31/39/557073139.db2.gz CDTPMVYNVHIFAE-UHFFFAOYSA-N 0 0 426.929 5.229 40 0 IKABRN 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ZINC000409264392 557078871 /nfs/dbraw/zinc/07/88/71/557078871.db2.gz LCBFQYNQXVRDCB-LICLKQGHSA-N 0 0 440.609 5.201 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cc(C)ccc4C(C)C)cc3)CC2=O)cc1 ZINC000408639612 557078961 /nfs/dbraw/zinc/07/89/61/557078961.db2.gz GCDIEBBWZMZURK-NRFANRHFSA-N 0 0 442.559 6.211 40 0 IKABRN CCOc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)cc(Br)c1O ZINC000409237397 557079135 /nfs/dbraw/zinc/07/91/35/557079135.db2.gz WMFVDTNVSAZSEU-UHFFFAOYSA-N 0 0 434.399 5.184 40 0 IKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)cc1 ZINC000408640471 557079255 /nfs/dbraw/zinc/07/92/55/557079255.db2.gz IBLOLFCZUSSJTK-GOSISDBHSA-N 0 0 434.923 5.741 40 0 IKABRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C1=O ZINC000409240249 557079381 /nfs/dbraw/zinc/07/93/81/557079381.db2.gz GCPBSIQBSGZNND-UDWIEESQSA-N 0 0 441.314 5.638 40 0 IKABRN CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000409239831 557079464 /nfs/dbraw/zinc/07/94/64/557079464.db2.gz FMRQADXECDDAMO-DORSJAEJSA-N 0 0 442.943 5.317 40 0 IKABRN O=C(CN1C(=O)SC(=Cc2c(Cl)cccc2Cl)C1=O)c1ccc(Cl)cc1 ZINC000409352392 557079690 /nfs/dbraw/zinc/07/96/90/557079690.db2.gz CGJCHYOKCNKPLT-LZYBPNLTSA-N 0 0 426.708 5.566 40 0 IKABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O)Nc1ccccc1Cl ZINC000409242023 557079751 /nfs/dbraw/zinc/07/97/51/557079751.db2.gz ZZRHOSWVBSGEKU-XDHOZWIPSA-N 0 0 438.892 5.275 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)c1 ZINC000408641308 557079941 /nfs/dbraw/zinc/07/99/41/557079941.db2.gz JWEUSLVQCJGWLK-SFHVURJKSA-N 0 0 434.923 5.741 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c(C)c1 ZINC000408641761 557080304 /nfs/dbraw/zinc/08/03/04/557080304.db2.gz MRRGOORKDYRCAU-SFHVURJKSA-N 0 0 434.923 5.741 40 0 IKABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)cc1 ZINC000408641466 557080311 /nfs/dbraw/zinc/08/03/11/557080311.db2.gz LRYLOMWYKYBOED-IBGZPJMESA-N 0 0 430.504 5.178 40 0 IKABRN CCCN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000409244760 557080350 /nfs/dbraw/zinc/08/03/50/557080350.db2.gz IHLGMGGFDYYLAR-VXLYETTFSA-N 0 0 428.319 5.299 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc5ccccc54)C3)cc2)c1 ZINC000408642047 557080539 /nfs/dbraw/zinc/08/05/39/557080539.db2.gz NHOJCRGXCUPSAZ-OAQYLSRUSA-N 0 0 436.511 5.932 40 0 IKABRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O ZINC000408642651 557080547 /nfs/dbraw/zinc/08/05/47/557080547.db2.gz PIPKJSXUIZHKST-FQEVSTJZSA-N 0 0 444.531 5.486 40 0 IKABRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000408642104 557080549 /nfs/dbraw/zinc/08/05/49/557080549.db2.gz NTTXGSRTGIJJDT-HNNXBMFYSA-N 0 0 441.314 5.777 40 0 IKABRN Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)cc1C ZINC000408642067 557080571 /nfs/dbraw/zinc/08/05/71/557080571.db2.gz NPEYABCQJVMMRQ-CQSZACIVSA-N 0 0 435.749 5.019 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1Cl ZINC000408642523 557080591 /nfs/dbraw/zinc/08/05/91/557080591.db2.gz NBPJPFQBALSOJC-IBGZPJMESA-N 0 0 448.950 6.049 40 0 IKABRN CC(C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000409354053 557080803 /nfs/dbraw/zinc/08/08/03/557080803.db2.gz XJDLLVWCPXUDOF-HMAPJEAMSA-N 0 0 446.528 5.302 40 0 IKABRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408643926 557080885 /nfs/dbraw/zinc/08/08/85/557080885.db2.gz RZXAUZHDRPVENI-HNNXBMFYSA-N 0 0 441.314 5.777 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2)cc1Cl ZINC000409251513 557080999 /nfs/dbraw/zinc/08/09/99/557080999.db2.gz PHNFEZUIWKAKAZ-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc(C)c4)C3=O)cc2)cc1 ZINC000409251382 557081017 /nfs/dbraw/zinc/08/10/17/557081017.db2.gz PUZXCBREJADFMU-HAHDFKILSA-N 0 0 431.582 6.691 40 0 IKABRN O=c1[nH]c(-c2cc(Br)ccc2OCc2ccccc2F)nc2ccccc12 ZINC000409250939 557081026 /nfs/dbraw/zinc/08/10/26/557081026.db2.gz NSMRYBAGXBVOAM-UHFFFAOYSA-N 0 0 425.257 5.483 40 0 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/nfs/dbraw/zinc/08/27/00/557082700.db2.gz UEQJOCYZLLDAFA-KRWDZBQOSA-N 0 0 428.463 5.075 40 0 IKABRN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 ZINC000408647368 557082716 /nfs/dbraw/zinc/08/27/16/557082716.db2.gz XDBYVQOAPDLVFL-SFHVURJKSA-N 0 0 434.923 5.741 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)c1C ZINC000408647718 557082756 /nfs/dbraw/zinc/08/27/56/557082756.db2.gz XHRMVHLTMMUCFN-GOSISDBHSA-N 0 0 434.923 5.741 40 0 IKABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4C)C3=O)c[nH]c21 ZINC000409362336 557082791 /nfs/dbraw/zinc/08/27/91/557082791.db2.gz UEWMNQWBMIYDIY-JAIQZWGSSA-N 0 0 433.533 5.022 40 0 IKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)c1C ZINC000408647719 557082834 /nfs/dbraw/zinc/08/28/34/557082834.db2.gz XHRMVHLTMMUCFN-SFHVURJKSA-N 0 0 434.923 5.741 40 0 IKABRN Cc1ccc(CSCc2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)cc1 ZINC000409362712 557082891 /nfs/dbraw/zinc/08/28/91/557082891.db2.gz SPFUATWPOZVISL-UHFFFAOYSA-N 0 0 448.617 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557083339 /nfs/dbraw/zinc/08/33/39/557083339.db2.gz YZKMCGFFQZPSIC-QGZVFWFLSA-N 0 0 437.337 5.211 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1Cl ZINC000408649614 557083447 /nfs/dbraw/zinc/08/34/47/557083447.db2.gz YOASCWRMVKKINO-SFHVURJKSA-N 0 0 434.923 5.741 40 0 IKABRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)c1 ZINC000408646056 557083761 /nfs/dbraw/zinc/08/37/61/557083761.db2.gz SXNMLTPSKXVRRE-JOCHJYFZSA-N 0 0 442.559 5.898 40 0 IKABRN CCOc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1 ZINC000408646065 557084117 /nfs/dbraw/zinc/08/41/17/557084117.db2.gz OGULTJBZCYLRTC-UHFFFAOYSA-N 0 0 444.462 5.235 40 0 IKABRN Cc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1C ZINC000408646139 557084146 /nfs/dbraw/zinc/08/41/46/557084146.db2.gz VPKMPRATFPQZNB-AWEZNQCLSA-N 0 0 435.749 5.019 40 0 IKABRN CCCN1C(=O)S/C(=C/c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)C1=O ZINC000409358878 557085670 /nfs/dbraw/zinc/08/56/70/557085670.db2.gz LWQFDVHZWJVRAJ-YBFXNURJSA-N 0 0 435.904 5.513 40 0 IKABRN O=C(CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O)Nc1cccc2ccccc21 ZINC000409359335 557086018 /nfs/dbraw/zinc/08/60/18/557086018.db2.gz NCWTYPUSGZBOJR-ODLFYWEKSA-N 0 0 440.883 5.307 40 0 IKABRN CC1CCC(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)CC1 ZINC000408647154 557086260 /nfs/dbraw/zinc/08/62/60/557086260.db2.gz BGEVIEQTYWXRNE-YRCXRUNISA-N 0 0 440.370 5.158 40 0 IKABRN CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000409360232 557086610 /nfs/dbraw/zinc/08/66/10/557086610.db2.gz MIUVUHFNTLGDNR-UHFFFAOYSA-N 0 0 447.029 5.424 40 0 IKABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c2ccccc12 ZINC000409360875 557086809 /nfs/dbraw/zinc/08/68/09/557086809.db2.gz OVDCQICDVZXVJL-LPYMAVHISA-N 0 0 446.528 5.140 40 0 IKABRN O=C(COc1ccc(CNc2ccc(Br)cc2)cc1Cl)Nc1ccccc1 ZINC000409376023 557087740 /nfs/dbraw/zinc/08/77/40/557087740.db2.gz SIYNPWJSHGFEAC-UHFFFAOYSA-N 0 0 445.744 5.732 40 0 IKABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C2CCCCC2)c(C)c1 ZINC000409367193 557088140 /nfs/dbraw/zinc/08/81/40/557088140.db2.gz JSBLBFZVWHWNFM-UHFFFAOYSA-N 0 0 442.625 5.191 40 0 IKABRN C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652752 557089918 /nfs/dbraw/zinc/08/99/18/557089918.db2.gz IDVDGDBCFJTTLO-NYHLSKOMSA-N 0 0 448.349 5.341 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)c1 ZINC000409383909 557091861 /nfs/dbraw/zinc/09/18/61/557091861.db2.gz OLBZTNOCFXIODP-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c(C)c1 ZINC000409384080 557092101 /nfs/dbraw/zinc/09/21/01/557092101.db2.gz ZQGDNMDRQOWIBZ-UHFFFAOYSA-N 0 0 436.577 5.788 40 0 IKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCc3cccc4ccccc43)n2)cc1 ZINC000409385390 557092471 /nfs/dbraw/zinc/09/24/71/557092471.db2.gz KNAYNGNOYZUVKA-UHFFFAOYSA-N 0 0 426.463 6.617 40 0 IKABRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1Cl ZINC000408657078 557092514 /nfs/dbraw/zinc/09/25/14/557092514.db2.gz IJGVXBAONNTINO-IBGZPJMESA-N 0 0 447.962 5.933 40 0 IKABRN Cc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2Cl)cc1C ZINC000409377446 557093023 /nfs/dbraw/zinc/09/30/23/557093023.db2.gz IBIQGILIZMPIQE-UHFFFAOYSA-N 0 0 443.374 6.548 40 0 IKABRN COc1cccc(NC(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000408666947 557093925 /nfs/dbraw/zinc/09/39/25/557093925.db2.gz IBVVKOJZMLTUCF-UHFFFAOYSA-N 0 0 440.499 5.323 40 0 IKABRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c(C)c1 ZINC000408667111 557094268 /nfs/dbraw/zinc/09/42/68/557094268.db2.gz QBXBIWXCDAEXQC-OAQYLSRUSA-N 0 0 427.544 5.588 40 0 IKABRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c(C)c1 ZINC000408668221 557094305 /nfs/dbraw/zinc/09/43/05/557094305.db2.gz VUKOSAZWBNULNH-URFUVCHWSA-N 0 0 448.349 5.401 40 0 IKABRN Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1 ZINC000408662867 557095589 /nfs/dbraw/zinc/09/55/89/557095589.db2.gz MWPGMLWWSHUVFF-NRFANRHFSA-N 0 0 427.544 5.588 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1ccccc1 ZINC000408661235 557095605 /nfs/dbraw/zinc/09/56/05/557095605.db2.gz BNHTYEOVCUKFTD-XQFWAAQXSA-N 0 0 437.536 5.100 40 0 IKABRN Cc1ccc(C)c(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1 ZINC000408662869 557095760 /nfs/dbraw/zinc/09/57/60/557095760.db2.gz MWPGMLWWSHUVFF-OAQYLSRUSA-N 0 0 427.544 5.588 40 0 IKABRN COc1cccc(NC(=O)c2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000408671407 557096128 /nfs/dbraw/zinc/09/61/28/557096128.db2.gz KWQUGNGIAHASEM-UHFFFAOYSA-N 0 0 441.270 5.055 40 0 IKABRN CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408670372 557096171 /nfs/dbraw/zinc/09/61/71/557096171.db2.gz ZRVSGOHYCPXTAT-UHFFFAOYSA-N 0 0 444.959 5.064 40 0 IKABRN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c(C)c1 ZINC000408670993 557096239 /nfs/dbraw/zinc/09/62/39/557096239.db2.gz RHUVVEFIXMQNFH-UHFFFAOYSA-N 0 0 444.918 5.968 40 0 IKABRN Cc1cccc(NC(=O)c2cccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)c1C ZINC000408671685 557096440 /nfs/dbraw/zinc/09/64/40/557096440.db2.gz KZAGNBLYHMFNFG-UHFFFAOYSA-N 0 0 439.298 5.663 40 0 IKABRN C[C@H](NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1 ZINC000408673050 557096494 /nfs/dbraw/zinc/09/64/94/557096494.db2.gz YFVFFTKBLJPYJX-KRWDZBQOSA-N 0 0 444.918 5.589 40 0 IKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000408675922 557097086 /nfs/dbraw/zinc/09/70/86/557097086.db2.gz LXDYVNAFLFDRGK-UHFFFAOYSA-N 0 0 426.472 5.029 40 0 IKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000408674859 557097115 /nfs/dbraw/zinc/09/71/15/557097115.db2.gz DJQVXDHIMKDCIF-UHFFFAOYSA-N 0 0 437.326 5.721 40 0 IKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000408675631 557097135 /nfs/dbraw/zinc/09/71/35/557097135.db2.gz JXKVSVPUGUCWAL-HXUWFJFHSA-N 0 0 440.543 5.325 40 0 IKABRN O=C(C(=O)N1CCC(Cc2ccccc2)CC1)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408674763 557097143 /nfs/dbraw/zinc/09/71/43/557097143.db2.gz CHDNJZQDWVZWFX-UHFFFAOYSA-N 0 0 440.518 5.409 40 0 IKABRN O=C(Nc1cccc(C(F)(F)F)c1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408674959 557097187 /nfs/dbraw/zinc/09/71/87/557097187.db2.gz FKPVCQMFDNTSDA-UHFFFAOYSA-N 0 0 426.369 5.586 40 0 IKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000408676315 557097202 /nfs/dbraw/zinc/09/72/02/557097202.db2.gz NAWDIBVRFSGFHT-UHFFFAOYSA-N 0 0 426.516 5.950 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408674806 557097223 /nfs/dbraw/zinc/09/72/23/557097223.db2.gz CSQCYGWDPTUMOK-UHFFFAOYSA-N 0 0 439.298 5.743 40 0 IKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000408675875 557097226 /nfs/dbraw/zinc/09/72/26/557097226.db2.gz LLSSZLUSWHFSMW-UHFFFAOYSA-N 0 0 426.516 5.868 40 0 IKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1C ZINC000408677107 557097404 /nfs/dbraw/zinc/09/74/04/557097404.db2.gz AIECUBOZZHCXBS-MRXNPFEDSA-N 0 0 429.685 5.049 40 0 IKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000408677788 557097460 /nfs/dbraw/zinc/09/74/60/557097460.db2.gz RNQOSJRIFXKRIZ-UHFFFAOYSA-N 0 0 432.907 5.788 40 0 IKABRN Cc1cc2nc3s/c(=C\c4ccccc4OCc4ccccc4Cl)c(=O)n3c2cc1C ZINC000409393604 557097829 /nfs/dbraw/zinc/09/78/29/557097829.db2.gz RFIVZLMGTYZORH-QRVIBDJDSA-N 0 0 446.959 5.306 40 0 IKABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1OCC ZINC000408678881 557097868 /nfs/dbraw/zinc/09/78/68/557097868.db2.gz JDPBKAKEFSLLHZ-UHFFFAOYSA-N 0 0 429.563 5.436 40 0 IKABRN CCc1cccc(CC)c1NC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn21 ZINC000408679185 557097873 /nfs/dbraw/zinc/09/78/73/557097873.db2.gz VGTNJFYRFZRWBD-UHFFFAOYSA-N 0 0 426.516 5.561 40 0 IKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000408679198 557097885 /nfs/dbraw/zinc/09/78/85/557097885.db2.gz VISXFKQDPLSUNI-UHFFFAOYSA-N 0 0 433.305 5.499 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408680055 557098482 /nfs/dbraw/zinc/09/84/82/557098482.db2.gz YEHTXPFFRRWMON-UHFFFAOYSA-N 0 0 448.497 5.834 40 0 IKABRN 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40 0 IKABRN O=C(NCc1ccccc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704650 557124170 /nfs/dbraw/zinc/12/41/70/557124170.db2.gz QXBNCLMGOZIDDX-XMMPIXPASA-N 0 0 436.964 5.044 40 0 IKABRN Cc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c2ccccc2n1C ZINC000409344670 557124737 /nfs/dbraw/zinc/12/47/37/557124737.db2.gz HYVUAIIWAPHCOU-XKZIYDEJSA-N 0 0 447.560 5.285 40 0 IKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000020612496 557125463 /nfs/dbraw/zinc/12/54/63/557125463.db2.gz RGWKTHGMIZJQRG-UHFFFAOYSA-N 0 0 429.706 5.277 40 0 IKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020611994 557125492 /nfs/dbraw/zinc/12/54/92/557125492.db2.gz FEOHJCMWBAHFON-UHFFFAOYSA-N 0 0 446.161 5.791 40 0 IKABRN CCc1ccc(NC(=O)CSc2nnc(-c3cc4cccc(OC)c4o3)n2CC)cc1 ZINC000409344758 557125719 /nfs/dbraw/zinc/12/57/19/557125719.db2.gz GWHSGAWLRYBROR-UHFFFAOYSA-N 0 0 436.537 5.013 40 0 IKABRN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccccc1-c1ccccc1 ZINC000408702583 557125979 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CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000408705848 557128621 /nfs/dbraw/zinc/12/86/21/557128621.db2.gz OOEXIWONYZHFIK-LJQANCHMSA-N 0 0 428.381 5.209 40 0 IKABRN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cc(Cl)ccc1Cl ZINC000408705147 557128653 /nfs/dbraw/zinc/12/86/53/557128653.db2.gz YWILLHSGGYKSNB-UHFFFAOYSA-N 0 0 435.332 5.074 40 0 IKABRN Cc1cc(C)c(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000408705945 557128886 /nfs/dbraw/zinc/12/88/86/557128886.db2.gz QVPNNKRMFSCDRI-UHFFFAOYSA-N 0 0 443.396 5.104 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767118 557128924 /nfs/dbraw/zinc/12/89/24/557128924.db2.gz KHPITMRRNYEMBB-UHFFFAOYSA-N 0 0 440.952 5.042 40 0 IKABRN CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 ZINC000408706785 557128907 /nfs/dbraw/zinc/12/89/07/557128907.db2.gz DQUXUQZYWNBWRK-FHERZECASA-N 0 0 425.400 5.458 40 0 IKABRN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408708804 557129446 /nfs/dbraw/zinc/12/94/46/557129446.db2.gz SZUSVXZXKJODOG-NRFANRHFSA-N 0 0 432.951 5.031 40 0 IKABRN CCc1ccccc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1CC ZINC000409350749 557129542 /nfs/dbraw/zinc/12/95/42/557129542.db2.gz YWYUHTJXITZQNQ-UHFFFAOYSA-N 0 0 440.956 5.658 40 0 IKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)CC ZINC000409349870 557130220 /nfs/dbraw/zinc/13/02/20/557130220.db2.gz VDCBCMJAWPLGRL-KELUXRKGSA-N 0 0 431.941 6.157 40 0 IKABRN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@H](C)O)c4)cc3N2)cc1 ZINC000102681684 557130758 /nfs/dbraw/zinc/13/07/58/557130758.db2.gz ZCLHYOSGLYGZBR-QMIHWGKISA-N 0 0 444.457 5.157 40 0 IKABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102703524 557132617 /nfs/dbraw/zinc/13/26/17/557132617.db2.gz FWPXXWJCAFWHHE-XPWALMASSA-N 0 0 432.907 5.008 40 0 IKABRN Cc1ccc(-c2nnc(CN(C)C(=O)c3cc(Cl)ccc3OCc3ccccc3)o2)cc1 ZINC000408713847 557132626 /nfs/dbraw/zinc/13/26/26/557132626.db2.gz APRCQPGNELGCSR-UHFFFAOYSA-N 0 0 447.922 5.550 40 0 IKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000408713899 557132638 /nfs/dbraw/zinc/13/26/38/557132638.db2.gz CFXYIWCGIRPEME-UHFFFAOYSA-N 0 0 439.559 5.825 40 0 IKABRN O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)C(c1ccccc1)c1ccccc1 ZINC000408713450 557132680 /nfs/dbraw/zinc/13/26/80/557132680.db2.gz ZGVQTXCFRQTPNF-UHFFFAOYSA-N 0 0 440.568 5.908 40 0 IKABRN CCn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(=O)c2ccccc21 ZINC000408712910 557132688 /nfs/dbraw/zinc/13/26/88/557132688.db2.gz AZPPEGILFHRXCL-UHFFFAOYSA-N 0 0 430.891 5.158 40 0 IKABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc(C(C)(C)C)cc1)N2 ZINC000409352539 557132759 /nfs/dbraw/zinc/13/27/59/557132759.db2.gz DEKHUCXCUOCCPU-STSQHVNTSA-N 0 0 438.534 5.899 40 0 IKABRN CCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1OCC ZINC000408713997 557132941 /nfs/dbraw/zinc/13/29/41/557132941.db2.gz GBVQPXGTGOPIDG-UHFFFAOYSA-N 0 0 437.540 5.104 40 0 IKABRN O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)c1ccccc1Cl ZINC000408723639 557133627 /nfs/dbraw/zinc/13/36/27/557133627.db2.gz YPEKPXQSMBCVKO-UHFFFAOYSA-N 0 0 425.340 7.036 40 0 IKABRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000408719707 557133637 /nfs/dbraw/zinc/13/36/37/557133637.db2.gz PHMGYUJPBKWGNV-ZKKFKWFVSA-N 0 0 444.328 5.020 40 0 IKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccccc2)cc1-c1ccc(-c2ccccc2)cc1 ZINC000408724197 557133816 /nfs/dbraw/zinc/13/38/16/557133816.db2.gz HOVKPBLBPBADQO-UHFFFAOYSA-N 0 0 429.523 6.767 40 0 IKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)cc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000408724080 557133830 /nfs/dbraw/zinc/13/38/30/557133830.db2.gz DSZOZNLJSXXIBQ-UHFFFAOYSA-N 0 0 443.550 7.075 40 0 IKABRN Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)cc1C ZINC000408724430 557134205 /nfs/dbraw/zinc/13/42/05/557134205.db2.gz KGGPPDOWEYHNAW-UHFFFAOYSA-N 0 0 431.539 6.870 40 0 IKABRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)c1 ZINC000409353066 557134598 /nfs/dbraw/zinc/13/45/98/557134598.db2.gz GFHRWROJLJPIMA-MTJSOVHGSA-N 0 0 438.549 5.013 40 0 IKABRN CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c2ccccc21 ZINC000409353323 557134601 /nfs/dbraw/zinc/13/46/01/557134601.db2.gz JBXYAAUKSZGFDO-XKZIYDEJSA-N 0 0 447.560 5.343 40 0 IKABRN CCN1C(=O)S/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)C1=O ZINC000409353474 557134804 /nfs/dbraw/zinc/13/48/04/557134804.db2.gz LQJSSJWHVHVFAA-CXUHLZMHSA-N 0 0 429.860 5.271 40 0 IKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2cccc(C)c2)cc1 ZINC000408724967 557134889 /nfs/dbraw/zinc/13/48/89/557134889.db2.gz NHQBIKOOJJQVCL-UHFFFAOYSA-N 0 0 436.342 6.715 40 0 IKABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4cc(C)cc(C)c4)C3=O)c[nH]c21 ZINC000409353669 557135016 /nfs/dbraw/zinc/13/50/16/557135016.db2.gz PHYDFQCKRZQIPK-JAIQZWGSSA-N 0 0 433.533 5.022 40 0 IKABRN CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000021124112 557135912 /nfs/dbraw/zinc/13/59/12/557135912.db2.gz DCPNJTOHISVXHQ-FMIVXFBMSA-N 0 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COc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)cc1OC ZINC000008903958 557179215 /nfs/dbraw/zinc/17/92/15/557179215.db2.gz GWFWEFMOLUQGSZ-UHFFFAOYSA-N 0 0 438.867 5.183 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Cl ZINC000008904154 557179401 /nfs/dbraw/zinc/17/94/01/557179401.db2.gz CLMDGBGQKWFAKM-UHFFFAOYSA-N 0 0 430.957 5.265 40 0 IKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000008904040 557179509 /nfs/dbraw/zinc/17/95/09/557179509.db2.gz CHKCOFSYHULQKL-UHFFFAOYSA-N 0 0 429.516 6.007 40 0 IKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(I)cc1 ZINC000008904026 557179564 /nfs/dbraw/zinc/17/95/64/557179564.db2.gz NCHOPXSYGPPETC-UHFFFAOYSA-N 0 0 449.288 5.033 40 0 IKABRN O=C(NCc1cccnc1)c1cc2ccc(-c3cccc(Cl)c3)cn2c1-c1cocn1 ZINC000096155483 557179827 /nfs/dbraw/zinc/17/98/27/557179827.db2.gz RJKQOWNCDYNEKF-UHFFFAOYSA-N 0 0 428.879 5.240 40 0 IKABRN CCn1nnnc1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022111885 557179794 /nfs/dbraw/zinc/17/97/94/557179794.db2.gz 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Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(Br)cc4)cc3)oc2cc1C ZINC000010120313 557206715 /nfs/dbraw/zinc/20/67/15/557206715.db2.gz UCPZNEIXXJDOBJ-UHFFFAOYSA-N 0 0 435.321 5.804 40 0 IKABRN COc1cc(-c2nc3cc(NC(=O)c4cccc(C)c4OC)ccc3o2)cc(OC)c1OC ZINC000010120198 557206720 /nfs/dbraw/zinc/20/67/20/557206720.db2.gz QFGXIRVAVOGDLL-UHFFFAOYSA-N 0 0 448.475 5.090 40 0 IKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4cccc(Br)c4)cc3)oc2cc1C ZINC000010120309 557206759 /nfs/dbraw/zinc/20/67/59/557206759.db2.gz LGGBYVXBNMECGY-UHFFFAOYSA-N 0 0 435.321 5.804 40 0 IKABRN CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000010120432 557206944 /nfs/dbraw/zinc/20/69/44/557206944.db2.gz HZQIVJXPFYWXLR-IBGZPJMESA-N 0 0 428.532 6.219 40 0 IKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(Br)o4)cc3)oc2cc1C ZINC000010120373 557206957 /nfs/dbraw/zinc/20/69/57/557206957.db2.gz UWOZSDNOSCXJRB-UHFFFAOYSA-N 0 0 425.282 5.397 40 0 IKABRN CCc1cc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)oc2c(Br)c1 ZINC000010119710 557208847 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IKABRN Cc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010314792 557216098 /nfs/dbraw/zinc/21/60/98/557216098.db2.gz ZVERDMXSOJZCJE-UHFFFAOYSA-N 0 0 442.540 5.715 40 0 IKABRN Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010314863 557216148 /nfs/dbraw/zinc/21/61/48/557216148.db2.gz BCLNPNSQGZYUBY-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc(C)cc1C ZINC000218799860 557217114 /nfs/dbraw/zinc/21/71/14/557217114.db2.gz ZGGDOBXNROSTJV-OAQYLSRUSA-N 0 0 442.606 5.071 40 0 IKABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000010337937 557217257 /nfs/dbraw/zinc/21/72/57/557217257.db2.gz DEZNPNDOZCQMKA-UHFFFAOYSA-N 0 0 448.519 5.197 40 0 IKABRN O=C(COc1ccc(Br)cc1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000218814075 557217442 /nfs/dbraw/zinc/21/74/42/557217442.db2.gz RAKKQEKEUTXWCB-UHFFFAOYSA-N 0 0 449.197 5.184 40 0 IKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1SCc1ccccc1 ZINC000010323990 557217519 /nfs/dbraw/zinc/21/75/19/557217519.db2.gz XZVHFRODQBNWIM-UHFFFAOYSA-N 0 0 441.621 7.524 40 0 IKABRN Cc1cc(OCC(=O)NCCSCc2cccc(Cl)c2)cc(C)c1Br ZINC000218833912 557217888 /nfs/dbraw/zinc/21/78/88/557217888.db2.gz MRWFZJNZQBZJRO-UHFFFAOYSA-N 0 0 442.806 5.148 40 0 IKABRN CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1O ZINC000408804944 557218063 /nfs/dbraw/zinc/21/80/63/557218063.db2.gz HOAAUDLRFNXQAL-PHPGQWLJSA-N 0 0 437.585 5.845 40 0 IKABRN Cc1cc(C)nc(Nc2ncc(-c3ccccc3)n2-c2ccc(Oc3ccccc3)cc2)n1 ZINC000010381846 557218502 /nfs/dbraw/zinc/21/85/02/557218502.db2.gz LOLKNJCVIHEUOH-UHFFFAOYSA-N 0 0 433.515 6.482 40 0 IKABRN CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(Br)c1 ZINC000218873673 557219191 /nfs/dbraw/zinc/21/91/91/557219191.db2.gz AKWYBRQARUXKLV-INIZCTEOSA-N 0 0 432.402 6.126 40 0 IKABRN Cc1ccc(SCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000218879369 557219521 /nfs/dbraw/zinc/21/95/21/557219521.db2.gz OBGQERVGHVIYPW-UHFFFAOYSA-N 0 0 436.415 5.342 40 0 IKABRN CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(C(C)C)cc2Br)c1 ZINC000218875674 557219533 /nfs/dbraw/zinc/21/95/33/557219533.db2.gz ZPOVDCLYYBKOAM-UHFFFAOYSA-N 0 0 434.330 5.075 40 0 IKABRN Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)CC(C)(C)O2 ZINC000218877356 557219543 /nfs/dbraw/zinc/21/95/43/557219543.db2.gz GSFXJMQQFBNYDX-IBGZPJMESA-N 0 0 446.385 5.678 40 0 IKABRN CCCOc1ccccc1CCCNC(=O)COc1ccc(C(C)C)cc1Br ZINC000218876854 557219551 /nfs/dbraw/zinc/21/95/51/557219551.db2.gz KXYLLMQHRCSLMZ-UHFFFAOYSA-N 0 0 448.401 5.489 40 0 IKABRN CC(C)c1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(Br)c1 ZINC000218876580 557219565 /nfs/dbraw/zinc/21/95/65/557219565.db2.gz TUAGXMSBMPITJH-GOSISDBHSA-N 0 0 432.358 5.370 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c(Br)c1 ZINC000218876481 557219642 /nfs/dbraw/zinc/21/96/42/557219642.db2.gz AAKATDMMABRHBK-UHFFFAOYSA-N 0 0 432.358 5.911 40 0 IKABRN CCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1C ZINC000218884078 557219856 /nfs/dbraw/zinc/21/98/56/557219856.db2.gz URXMGEJEQTYLPK-UHFFFAOYSA-N 0 0 448.357 5.249 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(Br)c1 ZINC000218884930 557219914 /nfs/dbraw/zinc/21/99/14/557219914.db2.gz SKLUDQUPKKDGHO-GOSISDBHSA-N 0 0 446.385 5.544 40 0 IKABRN CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)c(C)c1 ZINC000218885739 557220035 /nfs/dbraw/zinc/22/00/35/557220035.db2.gz ZGIOVERHJGSVET-HXUWFJFHSA-N 0 0 432.402 6.010 40 0 IKABRN CC(C)c1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000218886102 557220226 /nfs/dbraw/zinc/22/02/26/557220226.db2.gz RAGVXTVHSYXROX-UHFFFAOYSA-N 0 0 446.429 5.998 40 0 IKABRN O=C(COc1ccc2ccccc2c1Br)NCCCc1ccccc1Cl ZINC000218904462 557220338 /nfs/dbraw/zinc/22/03/38/557220338.db2.gz YUXBSURJNDTCBY-UHFFFAOYSA-N 0 0 432.745 5.384 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000218929007 557220923 /nfs/dbraw/zinc/22/09/23/557220923.db2.gz YXTBDRGFUXQPDY-UHFFFAOYSA-N 0 0 426.409 5.719 40 0 IKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)S1 ZINC000408810173 557221274 /nfs/dbraw/zinc/22/12/74/557221274.db2.gz LPYBPRIHANRUHL-UHFFFAOYSA-N 0 0 431.965 5.552 40 0 IKABRN O=C(COc1ccc(Br)cc1Cl)NCCSCc1ccc(Cl)cc1 ZINC000218943128 557221249 /nfs/dbraw/zinc/22/12/49/557221249.db2.gz MIAULFPGMQOZCZ-UHFFFAOYSA-N 0 0 449.197 5.184 40 0 IKABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000010449840 557221512 /nfs/dbraw/zinc/22/15/12/557221512.db2.gz DMQQUKWGUSCKMO-XHCCPWGMSA-N 0 0 442.584 5.095 40 0 IKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408810605 557221559 /nfs/dbraw/zinc/22/15/59/557221559.db2.gz UHAXBCSKKOZZNZ-UHFFFAOYSA-N 0 0 446.502 5.731 40 0 IKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408811052 557221623 /nfs/dbraw/zinc/22/16/23/557221623.db2.gz QLPDVFOOJZMAOY-UHFFFAOYSA-N 0 0 434.299 6.155 40 0 IKABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1OCc1ccccc1 ZINC000218988753 557222264 /nfs/dbraw/zinc/22/22/64/557222264.db2.gz JWJWDAQGYCQSGM-UHFFFAOYSA-N 0 0 433.895 5.241 40 0 IKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218990197 557222485 /nfs/dbraw/zinc/22/24/85/557222485.db2.gz ZIFSOXYLBHFYNO-UHFFFAOYSA-N 0 0 441.914 6.402 40 0 IKABRN COc1cc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)ccc1OC(C)C ZINC000218989149 557222570 /nfs/dbraw/zinc/22/25/70/557222570.db2.gz QFTGQNUVKCNKHG-UHFFFAOYSA-N 0 0 439.939 5.645 40 0 IKABRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(OCc3ccccc3Cl)cc1)CC(C)(C)O2 ZINC000218991382 557222612 /nfs/dbraw/zinc/22/26/12/557222612.db2.gz HLRXYOSZKMBXQK-QHCPKHFHSA-N 0 0 435.951 6.260 40 0 IKABRN Cc1cccc(COc2ccc(/C=C3\SC(Nc4ccc(Cl)cc4C)NC3=O)cc2)c1 ZINC000408808614 557223000 /nfs/dbraw/zinc/22/30/00/557223000.db2.gz JQJZYCKHSPEWKO-UHFFFAOYSA-N 0 0 449.983 6.299 40 0 IKABRN CC(=O)Oc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408813394 557223625 /nfs/dbraw/zinc/22/36/25/557223625.db2.gz NVLQKRVFQOLXEK-MTBBSATLSA-N 0 0 435.569 5.666 40 0 IKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc2c(Cl)cccc12 ZINC000022527825 557224527 /nfs/dbraw/zinc/22/45/27/557224527.db2.gz NEKJKJGRGDLYIM-UHFFFAOYSA-N 0 0 449.362 7.676 40 0 IKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1Nc1ccccc1 ZINC000408812341 557224522 /nfs/dbraw/zinc/22/45/22/557224522.db2.gz SHTJXXGGZNGKKB-GMGZCJBDSA-N 0 0 429.968 6.533 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3Cl)oc2c1 ZINC000022529115 557225032 /nfs/dbraw/zinc/22/50/32/557225032.db2.gz NWLAYEJMRNJFHO-UHFFFAOYSA-N 0 0 449.963 6.200 40 0 IKABRN Cc1cccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(-c3cccc(C)c3)c2Cl)c1 ZINC000017095623 557226900 /nfs/dbraw/zinc/22/69/00/557226900.db2.gz IHVXYBILYNVUES-UHFFFAOYSA-N 0 0 427.762 7.783 40 0 IKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000011116315 557227055 /nfs/dbraw/zinc/22/70/55/557227055.db2.gz WVXVIMMSLHDULY-NHCUHLMSSA-N 0 0 427.957 5.165 40 0 IKABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000011116335 557227106 /nfs/dbraw/zinc/22/71/06/557227106.db2.gz WVXVIMMSLHDULY-LEWJYISDSA-N 0 0 427.957 5.165 40 0 IKABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000011117120 557227122 /nfs/dbraw/zinc/22/71/22/557227122.db2.gz WGJSLZPKPKQOAN-WOJBJXKFSA-N 0 0 447.482 5.222 40 0 IKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)S1 ZINC000408815598 557228971 /nfs/dbraw/zinc/22/89/71/557228971.db2.gz XHBRBJIWKPLETJ-UHFFFAOYSA-N 0 0 445.564 5.654 40 0 IKABRN CC[C@@H](NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O)c1ccc(C)cc1C ZINC000219163745 557229188 /nfs/dbraw/zinc/22/91/88/557229188.db2.gz NBPVDXHTJJQWRF-HSZRJFAPSA-N 0 0 448.588 5.055 40 0 IKABRN Cc1c(-n2c(-c3ccc(C)cc3)csc2=NC(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000011617450 557230922 /nfs/dbraw/zinc/23/09/22/557230922.db2.gz BEZVYSJIZMWIIW-UHFFFAOYSA-O 0 0 433.601 5.008 40 0 IKABRN O=C1OC(c2ccccc2)=N/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408817693 557231810 /nfs/dbraw/zinc/23/18/10/557231810.db2.gz YGNHQMWRAKYNHC-LPYMAVHISA-N 0 0 447.321 6.341 40 0 IKABRN Cc1ccc([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1C ZINC000219285578 557235753 /nfs/dbraw/zinc/23/57/53/557235753.db2.gz USSCZPZYUMTBKC-QGZVFWFLSA-N 0 0 442.968 5.249 40 0 IKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000057312850 557238400 /nfs/dbraw/zinc/23/84/00/557238400.db2.gz FPCXHLVTISNECX-UHFFFAOYSA-N 0 0 443.297 5.091 40 0 IKABRN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012177811 557238524 /nfs/dbraw/zinc/23/85/24/557238524.db2.gz MOBQEEMRTZXMAA-UHFFFAOYSA-N 0 0 448.253 5.793 40 0 IKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000219354433 557238952 /nfs/dbraw/zinc/23/89/52/557238952.db2.gz LHLQFGDTXITUPE-OAQYLSRUSA-N 0 0 435.911 5.359 40 0 IKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1 ZINC000057316840 557239711 /nfs/dbraw/zinc/23/97/11/557239711.db2.gz IRZRAYQNLUTZCU-OVCLIPMQSA-N 0 0 433.596 5.157 40 0 IKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccccc2)cc1 ZINC000057317019 557240494 /nfs/dbraw/zinc/24/04/94/557240494.db2.gz OQZMLBAVYSXQKA-UHFFFAOYSA-N 0 0 432.317 6.306 40 0 IKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1Cl ZINC000057317051 557240533 /nfs/dbraw/zinc/24/05/33/557240533.db2.gz VKESUNDKMLOVJJ-UHFFFAOYSA-N 0 0 425.109 5.946 40 0 IKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc(Br)c1 ZINC000057317049 557240540 /nfs/dbraw/zinc/24/05/40/557240540.db2.gz AONUEZAWSPKAFC-UHFFFAOYSA-N 0 0 435.115 5.402 40 0 IKABRN O=C(CSc1ccc(Cl)cc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317030 557240547 /nfs/dbraw/zinc/24/05/47/557240547.db2.gz QAHBSFAOGSEBGA-UHFFFAOYSA-N 0 0 436.758 5.771 40 0 IKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317083 557240561 /nfs/dbraw/zinc/24/05/61/557240561.db2.gz KOBLHZDFNSHGRA-UHFFFAOYSA-N 0 0 448.744 5.836 40 0 IKABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccccc1C(F)(F)F ZINC000012249566 557240865 /nfs/dbraw/zinc/24/08/65/557240865.db2.gz SDKTVVOISWHJFD-UHFFFAOYSA-N 0 0 443.834 5.052 40 0 IKABRN O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000057333472 557241656 /nfs/dbraw/zinc/24/16/56/557241656.db2.gz WSLQJKXEHRTFSR-UHFFFAOYSA-N 0 0 429.863 5.733 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057333577 557242010 /nfs/dbraw/zinc/24/20/10/557242010.db2.gz HLXNBTVRJSNDCD-UHFFFAOYSA-N 0 0 441.531 5.633 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000057313301 557244323 /nfs/dbraw/zinc/24/43/23/557244323.db2.gz IVJBKCSYZSJVKN-UHFFFAOYSA-N 0 0 437.392 6.697 40 0 IKABRN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(C)c1I ZINC000057313168 557244387 /nfs/dbraw/zinc/24/43/87/557244387.db2.gz NFHBLORQTXBYED-UHFFFAOYSA-N 0 0 443.712 5.358 40 0 IKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1Cl ZINC000408828340 557244855 /nfs/dbraw/zinc/24/48/55/557244855.db2.gz DQKVYDDTNGOBNL-UHFFFAOYSA-N 0 0 425.340 7.036 40 0 IKABRN CN1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000057313579 557244926 /nfs/dbraw/zinc/24/49/26/557244926.db2.gz SCGONIVEEIXQEV-UHFFFAOYSA-N 0 0 444.019 5.185 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000057313851 557244961 /nfs/dbraw/zinc/24/49/61/557244961.db2.gz PYRCXVYXXUFOBL-UHFFFAOYSA-N 0 0 444.600 7.057 40 0 IKABRN Cc1ccc2cccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccc(Cl)cc4)o3)c2n1 ZINC000057313922 557245089 /nfs/dbraw/zinc/24/50/89/557245089.db2.gz ORFQISKBGGWTMW-WYMLVPIESA-N 0 0 447.947 5.983 40 0 IKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000057313993 557245131 /nfs/dbraw/zinc/24/51/31/557245131.db2.gz VEAVWBVYFUUQSU-UHFFFAOYSA-N 0 0 444.575 5.961 40 0 IKABRN CCc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 ZINC000057315627 557245454 /nfs/dbraw/zinc/24/54/54/557245454.db2.gz IIONUCGKOBDJRJ-DTQAZKPQSA-N 0 0 434.495 6.969 40 0 IKABRN CC(C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nc2c1 ZINC000057315804 557245763 /nfs/dbraw/zinc/24/57/63/557245763.db2.gz MODHQRUYVXVZGX-SAPNQHFASA-N 0 0 448.522 7.530 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000057316013 557246041 /nfs/dbraw/zinc/24/60/41/557246041.db2.gz CNPZQIXUTLJPLK-JLHYYAGUSA-N 0 0 441.874 6.455 40 0 IKABRN O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1 ZINC000057316233 557246305 /nfs/dbraw/zinc/24/63/05/557246305.db2.gz IJWKSIXIXFTVCW-UHFFFAOYSA-N 0 0 449.757 5.167 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1Br ZINC000057316222 557246313 /nfs/dbraw/zinc/24/63/13/557246313.db2.gz WDOTWCLRBAKRGY-ACCUITESSA-N 0 0 427.323 5.236 40 0 IKABRN O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1Cl ZINC000057316248 557246380 /nfs/dbraw/zinc/24/63/80/557246380.db2.gz QNXSWBGYZNWBDM-UHFFFAOYSA-N 0 0 449.757 5.167 40 0 IKABRN Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc54)o3)CC2)c1 ZINC000100219421 557248465 /nfs/dbraw/zinc/24/84/65/557248465.db2.gz HDOORHUHLXMOKP-MAEOIBBWSA-N 0 0 432.549 5.359 40 0 IKABRN Cc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc54)o3)CC2)cc1 ZINC000100219425 557248476 /nfs/dbraw/zinc/24/84/76/557248476.db2.gz TVSJOHKXERYDOO-GRGXKFILSA-N 0 0 440.547 5.226 40 0 IKABRN CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(OCC)cc1 ZINC000408832896 557249427 /nfs/dbraw/zinc/24/94/27/557249427.db2.gz SDOAIMWZRJCBMT-UHFFFAOYSA-N 0 0 445.382 6.176 40 0 IKABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000219450166 557249540 /nfs/dbraw/zinc/24/95/40/557249540.db2.gz PXBMJPNKXAOHOM-UHFFFAOYSA-N 0 0 434.539 5.809 40 0 IKABRN CCn1c(=O)c2ccccc2nc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000057589418 557249846 /nfs/dbraw/zinc/24/98/46/557249846.db2.gz RDEPLKTZUZEEPZ-UHFFFAOYSA-N 0 0 427.614 5.003 40 0 IKABRN O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSCc1ccccc1Cl ZINC000219455430 557249858 /nfs/dbraw/zinc/24/98/58/557249858.db2.gz HGHUKRJORUEUNO-UHFFFAOYSA-N 0 0 438.980 5.283 40 0 IKABRN O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSCc1ccc(Cl)cc1 ZINC000219455615 557249902 /nfs/dbraw/zinc/24/99/02/557249902.db2.gz MDKGOEYVSVKMJG-UHFFFAOYSA-N 0 0 438.980 5.283 40 0 IKABRN O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSCc1cccc(Cl)c1 ZINC000219455528 557249992 /nfs/dbraw/zinc/24/99/92/557249992.db2.gz ARTDTMTWZRKXSS-UHFFFAOYSA-N 0 0 438.980 5.283 40 0 IKABRN COc1cccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)c1 ZINC000057581590 557250074 /nfs/dbraw/zinc/25/00/74/557250074.db2.gz HPIPRMJKXXVSGH-UHFFFAOYSA-N 0 0 429.586 5.331 40 0 IKABRN CC(C)Oc1cccc(CCCNC(=O)CCCN2c3cccc4cccc(c34)C2=O)c1 ZINC000219468804 557252200 /nfs/dbraw/zinc/25/22/00/557252200.db2.gz RQKPDERVXCDJJF-UHFFFAOYSA-N 0 0 430.548 5.116 40 0 IKABRN COc1ccc([C@H](CC(C)C)NC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219471335 557252233 /nfs/dbraw/zinc/25/22/33/557252233.db2.gz NWNKDRLORCGMCE-QHCPKHFHSA-N 0 0 430.548 5.492 40 0 IKABRN CCn1c2ccccc2c2cc(NC(=O)CCCN3c4cccc5cccc(c45)C3=O)ccc21 ZINC000219464941 557252262 /nfs/dbraw/zinc/25/22/62/557252262.db2.gz DLSCJYDRJFJCNF-UHFFFAOYSA-N 0 0 447.538 6.347 40 0 IKABRN CCCCc1ccc(NC(=O)CN2c3ccc(CC)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000219476404 557252576 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/nfs/dbraw/zinc/26/55/40/557265540.db2.gz PFUYLYDSWVBQHV-PXLXIMEGSA-N 0 0 441.483 5.152 40 0 IKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219762977 557267462 /nfs/dbraw/zinc/26/74/62/557267462.db2.gz ZZPHHGFULRIVHS-UHFFFAOYSA-N 0 0 443.930 6.750 40 0 IKABRN Cc1ccc(CSCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219761819 557267484 /nfs/dbraw/zinc/26/74/84/557267484.db2.gz SISKCHNPNXFNNB-UHFFFAOYSA-N 0 0 425.981 5.891 40 0 IKABRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219764248 557267496 /nfs/dbraw/zinc/26/74/96/557267496.db2.gz VQEIWKGKXAJENN-UHFFFAOYSA-N 0 0 434.923 5.407 40 0 IKABRN Cc1cccc(CSCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000219763464 557267529 /nfs/dbraw/zinc/26/75/29/557267529.db2.gz NARUOUZPDSXUHN-UHFFFAOYSA-N 0 0 425.981 5.891 40 0 IKABRN CN(C)C(=O)c1cc([C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)nc2ccccc21 ZINC000100658025 557268088 /nfs/dbraw/zinc/26/80/88/557268088.db2.gz SGEBDBAOBHFETF-OYRHEFFESA-N 0 0 435.612 5.297 40 0 IKABRN CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000219775153 557268113 /nfs/dbraw/zinc/26/81/13/557268113.db2.gz HSBIBDAKVKKINP-OAQYLSRUSA-N 0 0 439.939 5.817 40 0 IKABRN COc1ccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1OC ZINC000219773855 557268151 /nfs/dbraw/zinc/26/81/51/557268151.db2.gz CUQYAYDFLYJVAJ-UHFFFAOYSA-N 0 0 439.939 5.299 40 0 IKABRN Cc1ccc(-c2noc(CNC(=O)c3cc(Cl)ccc3OCc3ccccc3)n2)cc1 ZINC000219775545 557268530 /nfs/dbraw/zinc/26/85/30/557268530.db2.gz WXRXTQFPIUIDNI-UHFFFAOYSA-N 0 0 433.895 5.207 40 0 IKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2)c1 ZINC000013025904 557269243 /nfs/dbraw/zinc/26/92/43/557269243.db2.gz ZSNCQBHQHOMXAR-XMMPIXPASA-N 0 0 432.520 5.044 40 0 IKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)c1 ZINC000013025830 557269264 /nfs/dbraw/zinc/26/92/64/557269264.db2.gz BNIIPVZHDUUOMJ-VWLOTQADSA-N 0 0 446.547 5.039 40 0 IKABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2)c1 ZINC000013025907 557269273 /nfs/dbraw/zinc/26/92/73/557269273.db2.gz ZSNCQBHQHOMXAR-DEOSSOPVSA-N 0 0 432.520 5.044 40 0 IKABRN Cc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013025709 557269307 /nfs/dbraw/zinc/26/93/07/557269307.db2.gz OTIGYZHMRKPGJD-XMMPIXPASA-N 0 0 434.511 5.170 40 0 IKABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)c1 ZINC000013025922 557269531 /nfs/dbraw/zinc/26/95/31/557269531.db2.gz IUVIGXVUZZZBJB-XMMPIXPASA-N 0 0 432.520 5.044 40 0 IKABRN Cc1ccccc1CSCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000219838639 557269789 /nfs/dbraw/zinc/26/97/89/557269789.db2.gz QNBFCWRRJBTLHV-UHFFFAOYSA-N 0 0 425.981 5.891 40 0 IKABRN Cc1ccc(C(C)(C)C(=O)NC[C@H]2CC[C@H](c3c4cccnc4sc3C(N)=O)CC2)cc1 ZINC000100688394 557269826 /nfs/dbraw/zinc/26/98/26/557269826.db2.gz SKECWTDJKPFESE-HDICACEKSA-N 0 0 449.620 5.071 40 0 IKABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2C)cc1 ZINC000013026653 557269890 /nfs/dbraw/zinc/26/98/90/557269890.db2.gz OKLGEXYWYHYMGJ-RUZDIDTESA-N 0 0 446.547 5.352 40 0 IKABRN Cc1ccccc1CCN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013026940 557270114 /nfs/dbraw/zinc/27/01/14/557270114.db2.gz KZKOBOJGUXKFBN-RUZDIDTESA-N 0 0 430.548 5.073 40 0 IKABRN Cc1ccccc1CCN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013026942 557270146 /nfs/dbraw/zinc/27/01/46/557270146.db2.gz KZKOBOJGUXKFBN-VWLOTQADSA-N 0 0 430.548 5.073 40 0 IKABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 ZINC000013026769 557270187 /nfs/dbraw/zinc/27/01/87/557270187.db2.gz IBRCRYAEBPBNPH-HSZRJFAPSA-N 0 0 436.577 5.346 40 0 IKABRN COc1ccccc1CN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000013026866 557270226 /nfs/dbraw/zinc/27/02/26/557270226.db2.gz KWXALXYSWKQGDZ-VWLOTQADSA-N 0 0 446.547 5.039 40 0 IKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)cc1 ZINC000013026835 557270237 /nfs/dbraw/zinc/27/02/37/557270237.db2.gz DIBZRIJJUQQLMY-AREMUKBSSA-N 0 0 444.575 5.381 40 0 IKABRN Cc1ccc(N2CCC(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 ZINC000219860066 557270401 /nfs/dbraw/zinc/27/04/01/557270401.db2.gz GMIIEJBHFCPZDA-UHFFFAOYSA-N 0 0 428.620 6.318 40 0 IKABRN O=C(NC1CCCC1)[C@H](c1ccccc1)N(Cc1ccccc1Cl)C(=O)c1ccco1 ZINC000013026962 557270486 /nfs/dbraw/zinc/27/04/86/557270486.db2.gz XZRAEFPGGGCGHC-QHCPKHFHSA-N 0 0 436.939 5.376 40 0 IKABRN Cc1ccc(C)c(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)c1 ZINC000027666452 557270919 /nfs/dbraw/zinc/27/09/19/557270919.db2.gz YHTNSBWVHRCERL-UHFFFAOYSA-N 0 0 426.568 5.183 40 0 IKABRN CCc1nc2sc(C)c(C)c2c(SCC(=O)Nc2nc3ccc(OC)cc3s2)n1 ZINC000013027907 557271492 /nfs/dbraw/zinc/27/14/92/557271492.db2.gz UFDVBYXWISPYJK-UHFFFAOYSA-N 0 0 444.607 5.220 40 0 IKABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)n1 ZINC000100738888 557273384 /nfs/dbraw/zinc/27/33/84/557273384.db2.gz RUNXSXRJMMZABT-LGVFNWMJSA-N 0 0 442.607 5.856 40 0 IKABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)n1 ZINC000100739120 557273704 /nfs/dbraw/zinc/27/37/04/557273704.db2.gz LWBPNWDVIMCMMI-NNWRFLSQSA-N 0 0 436.600 5.011 40 0 IKABRN Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)cc1C ZINC000027792751 557274148 /nfs/dbraw/zinc/27/41/48/557274148.db2.gz SLBJXAPXWHPKRX-GOSISDBHSA-N 0 0 447.941 6.014 40 0 IKABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CC[C@@H](CNC(=O)[C@@H](C)c3ccc(C)cc3)CC2)on1 ZINC000100743634 557274287 /nfs/dbraw/zinc/27/42/87/557274287.db2.gz CMHMPSUASFNVNT-RCZSKKKRSA-N 0 0 432.568 5.251 40 0 IKABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CC[C@@H](CNC(=O)[C@H](C)c3ccc(C)cc3)CC2)on1 ZINC000100743637 557274327 /nfs/dbraw/zinc/27/43/27/557274327.db2.gz CMHMPSUASFNVNT-UZKOGDIHSA-N 0 0 432.568 5.251 40 0 IKABRN CC(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000013025451 557274655 /nfs/dbraw/zinc/27/46/55/557274655.db2.gz QZOQJNYGJWAZLJ-DEOSSOPVSA-N 0 0 431.536 5.245 40 0 IKABRN Cc1noc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)c1C ZINC000100743992 557275047 /nfs/dbraw/zinc/27/50/47/557275047.db2.gz QKQNQTGSYLJYMX-ZNLUXHQJSA-N 0 0 432.568 5.251 40 0 IKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)C1=O ZINC000409010347 557275058 /nfs/dbraw/zinc/27/50/58/557275058.db2.gz CHRUOTCDOUAUOI-BRABVMKYSA-N 0 0 435.520 6.393 40 0 IKABRN O=C(CSc1nc(-c2ccccc2)nc2c1cccc2C(F)(F)F)Nc1ccccc1 ZINC000013084494 557277515 /nfs/dbraw/zinc/27/75/15/557277515.db2.gz VSZCYEYORBSYQS-UHFFFAOYSA-N 0 0 439.462 6.046 40 0 IKABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064595 557279055 /nfs/dbraw/zinc/27/90/55/557279055.db2.gz CPYMMGDOSLCECN-XMMPIXPASA-N 0 0 448.615 5.142 40 0 IKABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064824 557279245 /nfs/dbraw/zinc/27/92/45/557279245.db2.gz PPORNZZGUNGVFE-XMMPIXPASA-N 0 0 448.615 5.142 40 0 IKABRN CCCCc1nc2c(nnn2Cc2ccccc2)c(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000013086570 557280717 /nfs/dbraw/zinc/28/07/17/557280717.db2.gz QNXNEZYGLJALOM-UHFFFAOYSA-N 0 0 427.339 5.663 40 0 IKABRN CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409094886 557289584 /nfs/dbraw/zinc/28/95/84/557289584.db2.gz GNYSBDCMHMQFIH-CXUHLZMHSA-N 0 0 442.751 6.282 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220434143 557294925 /nfs/dbraw/zinc/29/49/25/557294925.db2.gz QLXYCFUMZLBQGD-CQSZACIVSA-N 0 0 443.396 5.218 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220575180 557301345 /nfs/dbraw/zinc/30/13/45/557301345.db2.gz FTKVHVVHEXMUDV-WMZHIEFXSA-N 0 0 444.641 5.023 40 0 IKABRN COc1ccc2[nH]c(SCc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)nc2c1 ZINC000032117948 557303089 /nfs/dbraw/zinc/30/30/89/557303089.db2.gz IHETXIIRPNUOAO-UHFFFAOYSA-N 0 0 437.952 6.078 40 0 IKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F ZINC000102676549 557305080 /nfs/dbraw/zinc/30/50/80/557305080.db2.gz KVALJVQIKPOBBW-IBINBSIQSA-N 0 0 447.531 5.964 40 0 IKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H](O)C(C)(C)C ZINC000102675160 557305223 /nfs/dbraw/zinc/30/52/23/557305223.db2.gz MFXRPKFYWKDYMI-KRRXPNTNSA-N 0 0 444.637 7.499 40 0 IKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 ZINC000102676498 557305230 /nfs/dbraw/zinc/30/52/30/557305230.db2.gz ZCJKFYHNWQJUCU-MNHOVEMASA-N 0 0 430.529 5.220 40 0 IKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 ZINC000102681272 557305426 /nfs/dbraw/zinc/30/54/26/557305426.db2.gz SMNNPRYAEDCRGM-VETMOPARSA-N 0 0 447.531 5.964 40 0 IKABRN Oc1c2c(c(O)n1-c1ccc(F)cc1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000102707027 557305807 /nfs/dbraw/zinc/30/58/07/557305807.db2.gz XDVFYFCTFGIXLK-DSITVLBTSA-N 0 0 438.458 5.030 40 0 IKABRN Oc1c2c(c(O)n1-c1ccc(F)cc1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000102707024 557305989 /nfs/dbraw/zinc/30/59/89/557305989.db2.gz XDVFYFCTFGIXLK-SDHOMARFSA-N 0 0 438.458 5.030 40 0 IKABRN O=C(/C=C\c1ccccc1)N[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000013305799 557306404 /nfs/dbraw/zinc/30/64/04/557306404.db2.gz HBQWZCZPPVPNGN-CXOKCQFOSA-N 0 0 439.553 5.898 40 0 IKABRN O=C(/C=C\c1ccccc1)N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000013305803 557306459 /nfs/dbraw/zinc/30/64/59/557306459.db2.gz HBQWZCZPPVPNGN-HWYHOQROSA-N 0 0 439.553 5.898 40 0 IKABRN CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220687227 557306979 /nfs/dbraw/zinc/30/69/79/557306979.db2.gz JESYFDGQZZVJOI-QGZVFWFLSA-N 0 0 443.396 5.048 40 0 IKABRN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220691539 557307118 /nfs/dbraw/zinc/30/71/18/557307118.db2.gz PCZSOKNGTSTWAB-IBGZPJMESA-N 0 0 443.396 5.300 40 0 IKABRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220699766 557308208 /nfs/dbraw/zinc/30/82/08/557308208.db2.gz UUUYXWRTDHOVLS-LJQANCHMSA-N 0 0 443.396 5.300 40 0 IKABRN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000102799578 557308775 /nfs/dbraw/zinc/30/87/75/557308775.db2.gz XYAHVIMQWBBBKK-VRHCTWJESA-N 0 0 448.420 5.257 40 0 IKABRN Clc1ccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccco2)cc1Cl ZINC000013302762 557308847 /nfs/dbraw/zinc/30/88/47/557308847.db2.gz YGOUOZQJZCDEID-GOSISDBHSA-N 0 0 436.136 6.705 40 0 IKABRN CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000013303463 557308852 /nfs/dbraw/zinc/30/88/52/557308852.db2.gz LCACYSALAAALAR-OZWPHOJSSA-N 0 0 434.536 5.015 40 0 IKABRN Clc1ccc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccco2)cc1Cl ZINC000013302772 557308913 /nfs/dbraw/zinc/30/89/13/557308913.db2.gz YGOUOZQJZCDEID-SFHVURJKSA-N 0 0 436.136 6.705 40 0 IKABRN O=C(Nc1cccc(Cl)c1)N1N=C2[C@@H](CCC[C@@H]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013303629 557308917 /nfs/dbraw/zinc/30/89/17/557308917.db2.gz OXLKVVAPTOWHKX-QQSVUBKYSA-N 0 0 443.978 6.944 40 0 IKABRN O=C(CSc1nc(-c2ccccc2)nc2ccccc21)Nc1cccc(Cl)c1Cl ZINC000013387918 557309516 /nfs/dbraw/zinc/30/95/16/557309516.db2.gz OUHOSAWBKZAIEY-UHFFFAOYSA-N 0 0 440.355 6.334 40 0 IKABRN CCCCCCc1cc2cc(C(=O)Nc3cccc(Cl)c3Cl)c(=N)oc2cc1O ZINC000013382165 557309528 /nfs/dbraw/zinc/30/95/28/557309528.db2.gz LFBMBGIIYSWYFA-UHFFFAOYSA-N 0 0 433.335 6.300 40 0 IKABRN CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220717276 557309512 /nfs/dbraw/zinc/30/95/12/557309512.db2.gz MJGQFUAFMCSFOA-IBGZPJMESA-N 0 0 437.005 5.264 40 0 IKABRN CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220735088 557310503 /nfs/dbraw/zinc/31/05/03/557310503.db2.gz CXXUGFGJVJIOSY-FQEVSTJZSA-N 0 0 437.005 5.264 40 0 IKABRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1cccc(Cl)c1Cl ZINC000032604049 557314034 /nfs/dbraw/zinc/31/40/34/557314034.db2.gz RBKWXWZZWBDISG-UHFFFAOYSA-N 0 0 437.327 5.457 40 0 IKABRN CCN(CC)C(=O)c1c(-c2ccccc2)s/c(=N/c2ccccc2)n1-c1ccccc1 ZINC000103405259 557314910 /nfs/dbraw/zinc/31/49/10/557314910.db2.gz XYLXAAJISMTMSO-CYYJNZCTSA-N 0 0 427.573 5.920 40 0 IKABRN Cc1cc(C)cc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 ZINC000103545105 557316215 /nfs/dbraw/zinc/31/62/15/557316215.db2.gz PHOGINDHRIPION-MHZLTWQESA-N 0 0 441.531 6.165 40 0 IKABRN Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C ZINC000023637629 557316559 /nfs/dbraw/zinc/31/65/59/557316559.db2.gz FUAPOLUFWZHDLX-GOSISDBHSA-N 0 0 429.549 5.065 40 0 IKABRN CC(=O)Oc1ccc2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)c(C)s3)c(=O)oc2c1 ZINC000013403724 557320400 /nfs/dbraw/zinc/32/04/00/557320400.db2.gz DRGWMFCSIFSHHA-UHFFFAOYSA-N 0 0 446.311 6.124 40 0 IKABRN Cc1ccc(-c2c(C)c(-c3ccccc3)c(-c3ccccc3)c(C)c2-c2ccccc2)cc1C ZINC000104189127 557321597 /nfs/dbraw/zinc/32/15/97/557321597.db2.gz PLXCPOIEIQTLBP-UHFFFAOYSA-N 0 0 438.614 9.588 40 0 IKABRN Cc1ccc(C)c(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 ZINC000013450343 557321688 /nfs/dbraw/zinc/32/16/88/557321688.db2.gz QWTMNWGYTSWYQJ-UHFFFAOYSA-N 0 0 435.471 5.883 40 0 IKABRN C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@H]2CCCC[C@@H]12 ZINC000013450400 557321692 /nfs/dbraw/zinc/32/16/92/557321692.db2.gz QYXSLVBHLXGBFP-KEYYUXOJSA-N 0 0 432.446 5.049 40 0 IKABRN O=C(NC(c1ccccc1)c1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000013475790 557322297 /nfs/dbraw/zinc/32/22/97/557322297.db2.gz NXEILGMCQKVXCQ-YYADALCUSA-N 0 0 432.523 5.363 40 0 IKABRN CCOc1cc(NC(=S)Nc2cccc(C)c2)c(OCC)cc1NC(=O)CC(C)C ZINC000013477599 557322317 /nfs/dbraw/zinc/32/23/17/557322317.db2.gz SMSFAPIETRMJBD-UHFFFAOYSA-N 0 0 429.586 5.586 40 0 IKABRN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000104231941 557323046 /nfs/dbraw/zinc/32/30/46/557323046.db2.gz KNXRKORNHUOIBK-RUZDIDTESA-N 0 0 442.584 7.163 40 0 IKABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501102 557324725 /nfs/dbraw/zinc/32/47/25/557324725.db2.gz QVJUBDFICNBBOH-HSZRJFAPSA-N 0 0 448.615 5.224 40 0 IKABRN Clc1cccc([C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000104339827 557325589 /nfs/dbraw/zinc/32/55/89/557325589.db2.gz WCSYSQZEDFGLRT-WJOKGBTCSA-N 0 0 445.005 8.507 40 0 IKABRN CCOCCCN(C(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1C ZINC000013497181 557326973 /nfs/dbraw/zinc/32/69/73/557326973.db2.gz BUNFNNHXNDAZSW-HSZRJFAPSA-N 0 0 442.625 5.116 40 0 IKABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497695 557327035 /nfs/dbraw/zinc/32/70/35/557327035.db2.gz PNCKASONGAKQAY-JOCHJYFZSA-N 0 0 433.017 5.373 40 0 IKABRN CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497696 557327093 /nfs/dbraw/zinc/32/70/93/557327093.db2.gz PNCKASONGAKQAY-QFIPXVFZSA-N 0 0 433.017 5.373 40 0 IKABRN O=C(CCSc1nc2ccccc2s1)Nc1ccc(I)cc1 ZINC000104556177 557327205 /nfs/dbraw/zinc/32/72/05/557327205.db2.gz NULXXLITYSMSQW-UHFFFAOYSA-N 0 0 440.331 5.022 40 0 IKABRN O=C(Cc1cccs1)N(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013498210 557327306 /nfs/dbraw/zinc/32/73/06/557327306.db2.gz PJBLCIMBELYGMF-DEOSSOPVSA-N 0 0 436.552 5.263 40 0 IKABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cccs1 ZINC000013498229 557327557 /nfs/dbraw/zinc/32/75/57/557327557.db2.gz PKCSUIXWLBVQJA-AREMUKBSSA-N 0 0 446.616 5.428 40 0 IKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1 ZINC000013498334 557327604 /nfs/dbraw/zinc/32/76/04/557327604.db2.gz WNKYJPWDXBITPT-SANMLTNESA-N 0 0 446.616 5.741 40 0 IKABRN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)sc2c1CCCC2 ZINC000104710434 557327754 /nfs/dbraw/zinc/32/77/54/557327754.db2.gz ODHBWTUOTQPOQY-MRXNPFEDSA-N 0 0 429.582 5.641 40 0 IKABRN O=C(Cc1cccs1)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498374 557327790 /nfs/dbraw/zinc/32/77/90/557327790.db2.gz QKGGPCCNRGUZCF-DEOSSOPVSA-N 0 0 436.552 5.263 40 0 IKABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498405 557327816 /nfs/dbraw/zinc/32/78/16/557327816.db2.gz QYHYXJRTNOGNCS-RUZDIDTESA-N 0 0 432.589 5.432 40 0 IKABRN O=C(Cc1cccs1)N(c1ccccc1F)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498377 557327822 /nfs/dbraw/zinc/32/78/22/557327822.db2.gz VMCALJYEPFWUHC-XMMPIXPASA-N 0 0 436.552 5.263 40 0 IKABRN Cc1cccc(C)c1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498412 557327824 /nfs/dbraw/zinc/32/78/24/557327824.db2.gz HHGMMBQOSQOIRP-SANMLTNESA-N 0 0 446.616 5.741 40 0 IKABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1C ZINC000013498418 557327862 /nfs/dbraw/zinc/32/78/62/557327862.db2.gz YHSIMLHHQXLTKP-SANMLTNESA-N 0 0 446.616 5.741 40 0 IKABRN CCc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013498403 557327864 /nfs/dbraw/zinc/32/78/64/557327864.db2.gz FVLZTBKUKSDLIB-AREMUKBSSA-N 0 0 446.616 5.686 40 0 IKABRN CCN(CC)C(=O)c1c(-c2ccccc2)s/c(=N/c2ccccc2)n1-c1ccc(C)cc1 ZINC000104823994 557328793 /nfs/dbraw/zinc/32/87/93/557328793.db2.gz GBUJKZFMFMWEDI-BYYHNAKLSA-N 0 0 441.600 6.229 40 0 IKABRN CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)OCC(C)C)C1=O ZINC000409213738 557331272 /nfs/dbraw/zinc/33/12/72/557331272.db2.gz UKVAEUXKACIOIW-BKUYFWCQSA-N 0 0 441.549 5.254 40 0 IKABRN CN(C(=O)c1ccc(Br)cc1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000013510034 557331695 /nfs/dbraw/zinc/33/16/95/557331695.db2.gz XFPNOMPHKVZZFO-UHFFFAOYSA-N 0 0 430.371 5.542 40 0 IKABRN c1csc([C@H](c2nnnn2CCc2ccccc2)N2CCC(Cc3ccccc3)CC2)c1 ZINC000013511617 557332317 /nfs/dbraw/zinc/33/23/17/557332317.db2.gz LNXTVSGBJMSVMW-RUZDIDTESA-N 0 0 443.620 5.021 40 0 IKABRN Cc1ccc(NC(=O)N(Cc2ccc(Cl)cc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000013511411 557332329 /nfs/dbraw/zinc/33/23/29/557332329.db2.gz YMRWHGMMKSYHGO-UHFFFAOYSA-N 0 0 432.911 5.119 40 0 IKABRN COc1ccc([C@@H](c2nnnn2C2CCCC2)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000013511916 557332509 /nfs/dbraw/zinc/33/25/09/557332509.db2.gz RXTBHPSGFCRVGD-VWLOTQADSA-N 0 0 443.551 5.182 40 0 IKABRN COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2[C@@H](C)c2ccccc2)cc1 ZINC000013512119 557332807 /nfs/dbraw/zinc/33/28/07/557332807.db2.gz UDORBANGAZXONJ-INIZCTEOSA-N 0 0 448.548 5.195 40 0 IKABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2F)n1[C@@H](C)c1ccccc1 ZINC000013512258 557333137 /nfs/dbraw/zinc/33/31/37/557333137.db2.gz DULSWBHQSOIZPU-HNNXBMFYSA-N 0 0 436.512 5.326 40 0 IKABRN COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1[C@H](C)c1ccccc1 ZINC000013512451 557333542 /nfs/dbraw/zinc/33/35/42/557333542.db2.gz XTVOOFBBGVVFRU-MRXNPFEDSA-N 0 0 448.548 5.195 40 0 IKABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1Cc1ccco1 ZINC000013512522 557333553 /nfs/dbraw/zinc/33/35/53/557333553.db2.gz IHGQPQQSYDEEDD-UHFFFAOYSA-N 0 0 446.891 5.011 40 0 IKABRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c(C)c1 ZINC000013513024 557334059 /nfs/dbraw/zinc/33/40/59/557334059.db2.gz VHEDGAFUVMQCHJ-UHFFFAOYSA-N 0 0 443.576 5.044 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3)cc2c1 ZINC000013513894 557334971 /nfs/dbraw/zinc/33/49/71/557334971.db2.gz LTWXLXKOSFDNLJ-UHFFFAOYSA-N 0 0 429.951 6.739 40 0 IKABRN Cc1cccc(NC(=O)N(Cc2ccccc2)Cc2cc3cc(C)cc(C)c3nc2Cl)c1 ZINC000013513895 557334986 /nfs/dbraw/zinc/33/49/86/557334986.db2.gz MZVRWZPGLBGMGU-UHFFFAOYSA-N 0 0 443.978 7.048 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)c3ccccc3F)cc2c1 ZINC000013513909 557334988 /nfs/dbraw/zinc/33/49/88/557334988.db2.gz DQRXEEPZXXELLI-UHFFFAOYSA-N 0 0 432.926 6.487 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)c3ccc(F)cc3)cc2c1 ZINC000013513912 557335029 /nfs/dbraw/zinc/33/50/29/557335029.db2.gz KKNYEWGZAXKNEP-UHFFFAOYSA-N 0 0 432.926 6.487 40 0 IKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3F)C3CCCC3)cc2c1 ZINC000013513936 557335069 /nfs/dbraw/zinc/33/50/69/557335069.db2.gz AZHAWCSNVWDHBF-UHFFFAOYSA-N 0 0 425.935 6.621 40 0 IKABRN CC(C)c1ccccc1NC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222381806 557336781 /nfs/dbraw/zinc/33/67/81/557336781.db2.gz HXUSCZXRHJOFKV-UHFFFAOYSA-N 0 0 443.396 5.302 40 0 IKABRN CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1 ZINC000013502038 557337130 /nfs/dbraw/zinc/33/71/30/557337130.db2.gz STMPQFCCYMRKBP-UHFFFAOYSA-N 0 0 432.955 6.036 40 0 IKABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000222386193 557337301 /nfs/dbraw/zinc/33/73/01/557337301.db2.gz LCWTZODELCHYJI-UHFFFAOYSA-N 0 0 442.968 5.175 40 0 IKABRN O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccccn1)c1ccc(F)cc1 ZINC000013502136 557337341 /nfs/dbraw/zinc/33/73/41/557337341.db2.gz QXPNDBGICCLKKO-DEOSSOPVSA-N 0 0 449.501 5.197 40 0 IKABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1)c1ccccc1F ZINC000222387583 557337579 /nfs/dbraw/zinc/33/75/79/557337579.db2.gz IOARFRLWUZZPCW-UHFFFAOYSA-N 0 0 448.519 5.197 40 0 IKABRN Cc1ccccc1C(=O)N(Cc1cccs1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000013502654 557337648 /nfs/dbraw/zinc/33/76/48/557337648.db2.gz UVLCJQGIAJYKQM-UHFFFAOYSA-N 0 0 449.601 5.076 40 0 IKABRN CC(C)(C)NC(=O)CSc1nc(COc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000013502665 557337669 /nfs/dbraw/zinc/33/76/69/557337669.db2.gz VXVATOIEIDFNDM-UHFFFAOYSA-N 0 0 441.622 5.156 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222395993 557338002 /nfs/dbraw/zinc/33/80/02/557338002.db2.gz JAZLXFPQTWNULL-HSZRJFAPSA-N 0 0 445.003 5.139 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl ZINC000222411569 557338698 /nfs/dbraw/zinc/33/86/98/557338698.db2.gz ZRGWTZNFOMAWSY-NRFANRHFSA-N 0 0 435.395 5.176 40 0 IKABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F)OCCO3 ZINC000013503644 557338899 /nfs/dbraw/zinc/33/88/99/557338899.db2.gz VVZCREIAOKBJGJ-UHFFFAOYSA-N 0 0 448.466 5.318 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl ZINC000222414237 557338940 /nfs/dbraw/zinc/33/89/40/557338940.db2.gz DQLGIJKDFKRCJS-QFIPXVFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222414961 557339228 /nfs/dbraw/zinc/33/92/28/557339228.db2.gz ZNJNDHSRDHZJFL-QFIPXVFZSA-N 0 0 447.044 5.463 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222442525 557340285 /nfs/dbraw/zinc/34/02/85/557340285.db2.gz KQYDZVODORRFSJ-HSZRJFAPSA-N 0 0 445.003 5.139 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222442458 557340288 /nfs/dbraw/zinc/34/02/88/557340288.db2.gz KQYDZVODORRFSJ-QHCPKHFHSA-N 0 0 445.003 5.139 40 0 IKABRN COc1cccc(NCc2cc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3[nH]c2=O)c1 ZINC000013564722 557340933 /nfs/dbraw/zinc/34/09/33/557340933.db2.gz NDGRKQZXMFLYAR-UHFFFAOYSA-N 0 0 440.478 5.141 40 0 IKABRN COc1ccc(NCc2cc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000013564723 557340979 /nfs/dbraw/zinc/34/09/79/557340979.db2.gz YVBONYAJGAPKEI-UHFFFAOYSA-N 0 0 440.478 5.141 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1)C1CCCC1 ZINC000072215629 557341116 /nfs/dbraw/zinc/34/11/16/557341116.db2.gz AAANSGFYQWKNTM-QFIPXVFZSA-N 0 0 435.568 5.743 40 0 IKABRN COc1cccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)c1 ZINC000013564744 557341168 /nfs/dbraw/zinc/34/11/68/557341168.db2.gz PUSUKJWKGIZGEK-UHFFFAOYSA-N 0 0 440.478 5.141 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000222460011 557341271 /nfs/dbraw/zinc/34/12/71/557341271.db2.gz JUHPQBADAYJKGI-JOCHJYFZSA-N 0 0 447.044 5.214 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222459737 557341293 /nfs/dbraw/zinc/34/12/93/557341293.db2.gz CFCDPCGXEJKCRZ-XMMPIXPASA-N 0 0 440.653 5.177 40 0 IKABRN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214587 557341551 /nfs/dbraw/zinc/34/15/51/557341551.db2.gz DOSNFCLXQXIRPG-LJQANCHMSA-N 0 0 433.593 5.941 40 0 IKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072215181 557341675 /nfs/dbraw/zinc/34/16/75/557341675.db2.gz UIKMWEODKMIDQO-KNQAVFIVSA-N 0 0 437.584 5.989 40 0 IKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215007 557341678 /nfs/dbraw/zinc/34/16/78/557341678.db2.gz YEYSREHBYLNWCQ-LJQANCHMSA-N 0 0 433.593 6.085 40 0 IKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215166 557341699 /nfs/dbraw/zinc/34/16/99/557341699.db2.gz OEQHMZAPEUFVEV-HKUYNNGSSA-N 0 0 433.593 6.084 40 0 IKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072214913 557341762 /nfs/dbraw/zinc/34/17/62/557341762.db2.gz YGECXFBHTMSFDD-NRFANRHFSA-N 0 0 439.556 5.705 40 0 IKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072215182 557341773 /nfs/dbraw/zinc/34/17/73/557341773.db2.gz UIKMWEODKMIDQO-UGKGYDQZSA-N 0 0 437.584 5.989 40 0 IKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072215279 557342013 /nfs/dbraw/zinc/34/20/13/557342013.db2.gz UQAWHMWFWLWRLJ-IEBWSBKVSA-N 0 0 433.593 6.084 40 0 IKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072215280 557342024 /nfs/dbraw/zinc/34/20/24/557342024.db2.gz UQAWHMWFWLWRLJ-PKOBYXMFSA-N 0 0 433.593 6.084 40 0 IKABRN Cc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1N(C)S(C)(=O)=O ZINC000222476073 557342133 /nfs/dbraw/zinc/34/21/33/557342133.db2.gz NELFXJHHTVADDD-UHFFFAOYSA-N 0 0 444.940 5.089 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1)C1CCC1 ZINC000072215538 557342197 /nfs/dbraw/zinc/34/21/97/557342197.db2.gz GFGXNQNFCCTILZ-QFIPXVFZSA-N 0 0 435.568 5.743 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CCCC1 ZINC000072215560 557342282 /nfs/dbraw/zinc/34/22/82/557342282.db2.gz AGRTYIUMDHUNSA-IBGZPJMESA-N 0 0 431.577 5.838 40 0 IKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215740 557342597 /nfs/dbraw/zinc/34/25/97/557342597.db2.gz VJRVMTWRLBSGHB-FQEVSTJZSA-N 0 0 445.604 6.228 40 0 IKABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215799 557342676 /nfs/dbraw/zinc/34/26/76/557342676.db2.gz SZAKWBIGWLEBHA-HXUWFJFHSA-N 0 0 439.556 6.227 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl ZINC000222488125 557342872 /nfs/dbraw/zinc/34/28/72/557342872.db2.gz CJKZXJUNTPAXHQ-JPYJTQIMSA-N 0 0 445.003 5.003 40 0 IKABRN Cc1ccsc1-c1nnc(S[C@H]2CCc3ccccc3C2=O)nc1-c1sccc1C ZINC000013566494 557344895 /nfs/dbraw/zinc/34/48/95/557344895.db2.gz YJHJKIDTWKYPPN-KRWDZBQOSA-N 0 0 449.626 6.235 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222504651 557345624 /nfs/dbraw/zinc/34/56/24/557345624.db2.gz VOVKOAMVKQCWEA-OAQYLSRUSA-N 0 0 435.395 5.176 40 0 IKABRN CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222506773 557345883 /nfs/dbraw/zinc/34/58/83/557345883.db2.gz HVYMKZBIFQXDKM-IBGZPJMESA-N 0 0 440.968 5.094 40 0 IKABRN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000013568045 557346702 /nfs/dbraw/zinc/34/67/02/557346702.db2.gz RRSPJVHNDHCCAV-UHFFFAOYSA-N 0 0 429.863 5.957 40 0 IKABRN Cc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCCC2)cc1 ZINC000013568274 557346912 /nfs/dbraw/zinc/34/69/12/557346912.db2.gz AQYDLECUXYHBDL-UHFFFAOYSA-N 0 0 444.608 5.426 40 0 IKABRN Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(F)cc2)cn1Cc1ccccc1 ZINC000013568330 557347263 /nfs/dbraw/zinc/34/72/63/557347263.db2.gz RQFRCGIYYQCYMZ-LJQANCHMSA-N 0 0 445.563 6.165 40 0 IKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1ccccc1Cl ZINC000013568364 557347267 /nfs/dbraw/zinc/34/72/67/557347267.db2.gz BVXNPRIJIVKXSA-UHFFFAOYSA-N 0 0 448.419 6.004 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222531756 557347795 /nfs/dbraw/zinc/34/77/95/557347795.db2.gz XTEYNHXLJRTOAM-OAHLLOKOSA-N 0 0 439.408 5.029 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222531816 557347879 /nfs/dbraw/zinc/34/78/79/557347879.db2.gz XTEYNHXLJRTOAM-HNNXBMFYSA-N 0 0 439.408 5.029 40 0 IKABRN CC(C)C[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000222538186 557348594 /nfs/dbraw/zinc/34/85/94/557348594.db2.gz YMELRRJROIXIIW-XMMPIXPASA-N 0 0 436.577 5.029 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc4ccccc43)c2)cc1 ZINC000222540684 557348822 /nfs/dbraw/zinc/34/88/22/557348822.db2.gz CYPTVEDSIPKTOH-UHFFFAOYSA-N 0 0 430.529 5.226 40 0 IKABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000222540378 557348830 /nfs/dbraw/zinc/34/88/30/557348830.db2.gz BUCODFHSHCJIMR-AMCKHAKVSA-N 0 0 444.531 5.086 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000222541729 557349099 /nfs/dbraw/zinc/34/90/99/557349099.db2.gz BQANOMWPIOQKSJ-UHFFFAOYSA-N 0 0 448.466 5.091 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000222541979 557349195 /nfs/dbraw/zinc/34/91/95/557349195.db2.gz XDZJJVXMTBCGPR-QHCPKHFHSA-N 0 0 445.003 5.174 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222546049 557349322 /nfs/dbraw/zinc/34/93/22/557349322.db2.gz LQYJXBQWVGDORK-XMMPIXPASA-N 0 0 443.031 5.728 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1 ZINC000222544613 557349374 /nfs/dbraw/zinc/34/93/74/557349374.db2.gz LGUVRRRARZRDQN-UHFFFAOYSA-N 0 0 448.466 5.091 40 0 IKABRN CCSc1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000222550398 557350177 /nfs/dbraw/zinc/35/01/77/557350177.db2.gz YQJGVAULGVBJQB-UHFFFAOYSA-N 0 0 440.590 5.184 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 ZINC000222555764 557351329 /nfs/dbraw/zinc/35/13/29/557351329.db2.gz NHXYNSQEBACPRZ-OAQYLSRUSA-N 0 0 433.017 5.073 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000222557244 557351594 /nfs/dbraw/zinc/35/15/94/557351594.db2.gz JXJZKRYFOYUPKR-NRFANRHFSA-N 0 0 433.017 5.154 40 0 IKABRN O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1ccccc1F ZINC000013561452 557351742 /nfs/dbraw/zinc/35/17/42/557351742.db2.gz QUMSPGBJRMVKPV-JOCHJYFZSA-N 0 0 440.515 5.473 40 0 IKABRN CCC(C)(C)NC(=O)CSc1nc(-c2ccccc2F)nc2c1cnn2-c1ccccc1 ZINC000013561697 557351975 /nfs/dbraw/zinc/35/19/75/557351975.db2.gz BOWHCGJEZYIIIW-UHFFFAOYSA-N 0 0 449.555 5.019 40 0 IKABRN CCc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)c3ccccc3C)cc2c1 ZINC000013562048 557352634 /nfs/dbraw/zinc/35/26/34/557352634.db2.gz CVZMSDCCGQUHMB-UHFFFAOYSA-N 0 0 442.990 6.910 40 0 IKABRN c1csc(CN(CCc2ccccc2)[C@@H](c2nnnn2C2CCCC2)c2cccnc2)c1 ZINC000013561900 557352637 /nfs/dbraw/zinc/35/26/37/557352637.db2.gz MGOIFMRYBHUXDU-XMMPIXPASA-N 0 0 444.608 5.079 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 ZINC000222563612 557352877 /nfs/dbraw/zinc/35/28/77/557352877.db2.gz WSAUCKSUOQGLOY-GCJKJVERSA-N 0 0 447.044 5.197 40 0 IKABRN CCC(C)(C)Nc1c(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc2ccccn21 ZINC000013563561 557353736 /nfs/dbraw/zinc/35/37/36/557353736.db2.gz KPZUZBKRCLCUDF-UHFFFAOYSA-N 0 0 447.970 6.899 40 0 IKABRN COC(=O)c1cn(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc12 ZINC000222569974 557353859 /nfs/dbraw/zinc/35/38/59/557353859.db2.gz WMEGXZKRWBDFPP-UHFFFAOYSA-N 0 0 435.932 6.062 40 0 IKABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222573116 557354461 /nfs/dbraw/zinc/35/44/61/557354461.db2.gz MLXMIMAYNSBZDG-IBGZPJMESA-N 0 0 434.967 5.025 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222573052 557354535 /nfs/dbraw/zinc/35/45/35/557354535.db2.gz MLXMIMAYNSBZDG-LJQANCHMSA-N 0 0 434.967 5.025 40 0 IKABRN CC(C)Oc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br ZINC000222582904 557355946 /nfs/dbraw/zinc/35/59/46/557355946.db2.gz DDZAAXPGHQTUCB-AGRHKRQWSA-N 0 0 432.387 5.221 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 ZINC000222584570 557356226 /nfs/dbraw/zinc/35/62/26/557356226.db2.gz LDVIFZNVVJFYRN-NRFANRHFSA-N 0 0 444.575 5.497 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000222587704 557356817 /nfs/dbraw/zinc/35/68/17/557356817.db2.gz OYBUDGIIRJUSPQ-QHCPKHFHSA-N 0 0 445.003 5.139 40 0 IKABRN COc1ccc2cc(S(=O)(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2c1 ZINC000222593993 557358095 /nfs/dbraw/zinc/35/80/95/557358095.db2.gz JTRZYTHMFCAODL-UHFFFAOYSA-N 0 0 447.600 6.117 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222596008 557358282 /nfs/dbraw/zinc/35/82/82/557358282.db2.gz ZFHOCEHDHWGQPP-DEOSSOPVSA-N 0 0 443.031 5.728 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000222597798 557358776 /nfs/dbraw/zinc/35/87/76/557358776.db2.gz JJFOYNZRCXPRNF-OAQYLSRUSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000222603985 557360150 /nfs/dbraw/zinc/36/01/50/557360150.db2.gz CXWVNKAAZMEWHP-FQEVSTJZSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000222604044 557360188 /nfs/dbraw/zinc/36/01/88/557360188.db2.gz CXWVNKAAZMEWHP-HXUWFJFHSA-N 0 0 439.358 5.007 40 0 IKABRN COc1c(Br)cc(Cl)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222604814 557360335 /nfs/dbraw/zinc/36/03/35/557360335.db2.gz RUQXSPULNSNIPD-AMKSKSKJSA-N 0 0 438.778 5.095 40 0 IKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccc(Cl)cc2)S1 ZINC000222606352 557360723 /nfs/dbraw/zinc/36/07/23/557360723.db2.gz AXFQEUWMAAGTIE-RTOPAQNCSA-N 0 0 438.021 6.476 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000222607236 557360860 /nfs/dbraw/zinc/36/08/60/557360860.db2.gz NCJQPPPUVARMDG-ZJSXRUAMSA-N 0 0 440.653 5.075 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222612950 557361741 /nfs/dbraw/zinc/36/17/41/557361741.db2.gz WGXIZOBTBKPKLD-NVQXNPDNSA-N 0 0 436.640 5.507 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222612812 557361784 /nfs/dbraw/zinc/36/17/84/557361784.db2.gz WGXIZOBTBKPKLD-BKMJKUGQSA-N 0 0 436.640 5.507 40 0 IKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000222617259 557362432 /nfs/dbraw/zinc/36/24/32/557362432.db2.gz BIZDJNUQNVBWGX-HNNXBMFYSA-N 0 0 438.420 5.689 40 0 IKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(F)(F)F)c2)S1 ZINC000222623598 557363691 /nfs/dbraw/zinc/36/36/91/557363691.db2.gz SKIGSZINOSZADX-UAOJZALGSA-N 0 0 428.483 5.480 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222624497 557363992 /nfs/dbraw/zinc/36/39/92/557363992.db2.gz QQVLTJAKAXYJBP-HTAPYJJXSA-N 0 0 449.422 5.301 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222624559 557364025 /nfs/dbraw/zinc/36/40/25/557364025.db2.gz QQVLTJAKAXYJBP-VGSWGCGISA-N 0 0 449.422 5.301 40 0 IKABRN COC(=O)c1cn(C(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c2ccccc12 ZINC000222625279 557364245 /nfs/dbraw/zinc/36/42/45/557364245.db2.gz PFCUNISMCYTLGL-UHFFFAOYSA-N 0 0 445.346 5.287 40 0 IKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Br)cc2)S1 ZINC000222625195 557364264 /nfs/dbraw/zinc/36/42/64/557364264.db2.gz PYWWTWRKELMWPH-XMCHAPAWSA-N 0 0 439.382 5.224 40 0 IKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Br)c2)S1 ZINC000222624886 557364274 /nfs/dbraw/zinc/36/42/74/557364274.db2.gz LTXHGWZFKUHNND-XMCHAPAWSA-N 0 0 439.382 5.224 40 0 IKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Br)cc2)S1 ZINC000222625132 557364328 /nfs/dbraw/zinc/36/43/28/557364328.db2.gz PYWWTWRKELMWPH-GKCIPKSASA-N 0 0 439.382 5.224 40 0 IKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222625079 557364336 /nfs/dbraw/zinc/36/43/36/557364336.db2.gz KCVNTJUWVXJTJR-HTAPYJJXSA-N 0 0 449.422 5.301 40 0 IKABRN O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000222627766 557364847 /nfs/dbraw/zinc/36/48/47/557364847.db2.gz SXOGLVMTJDOINX-UHFFFAOYSA-N 0 0 441.745 6.792 40 0 IKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Br)cc3)o2)S1 ZINC000222629810 557365221 /nfs/dbraw/zinc/36/52/21/557365221.db2.gz BYRAPEAMPMXCSZ-CWVNLOTRSA-N 0 0 440.366 5.693 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222629522 557365294 /nfs/dbraw/zinc/36/52/94/557365294.db2.gz BMVXDBWETPTPLV-KRWDZBQOSA-N 0 0 433.017 5.154 40 0 IKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000222631628 557365485 /nfs/dbraw/zinc/36/54/85/557365485.db2.gz CQDVXTDWHGFQRT-OUWQEXSBSA-N 0 0 430.360 6.238 40 0 IKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)S1 ZINC000222631478 557365519 /nfs/dbraw/zinc/36/55/19/557365519.db2.gz ZDEOIUGNZYMWGO-KNMUDHKVSA-N 0 0 430.360 6.238 40 0 IKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 ZINC000222632024 557365863 /nfs/dbraw/zinc/36/58/63/557365863.db2.gz XVZRKALMNTYTBO-KNMUDHKVSA-N 0 0 430.360 6.238 40 0 IKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000409247405 557366087 /nfs/dbraw/zinc/36/60/87/557366087.db2.gz HCLWBQUHLHIABQ-LICLKQGHSA-N 0 0 440.323 6.158 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222637352 557366738 /nfs/dbraw/zinc/36/67/38/557366738.db2.gz YPHCVFAOAAMFDU-DEOSSOPVSA-N 0 0 440.603 5.388 40 0 IKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N21 ZINC000222648268 557368178 /nfs/dbraw/zinc/36/81/78/557368178.db2.gz NHRWOYZUSOUURW-BULFRSBZSA-N 0 0 437.653 6.362 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222654977 557369040 /nfs/dbraw/zinc/36/90/40/557369040.db2.gz HFVWULVLJASFKP-HXUWFJFHSA-N 0 0 439.358 5.007 40 0 IKABRN C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 ZINC000222655671 557369106 /nfs/dbraw/zinc/36/91/06/557369106.db2.gz IODWRVPHXLOAMF-MRXNPFEDSA-N 0 0 439.964 5.895 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222655215 557369134 /nfs/dbraw/zinc/36/91/34/557369134.db2.gz GUSXUISMCHTDKV-FQEVSTJZSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3nc4ccccc4s3)N21 ZINC000222675873 557372356 /nfs/dbraw/zinc/37/23/56/557372356.db2.gz KGVHHYQGTAGNLT-GQWLDOHISA-N 0 0 431.590 5.461 40 0 IKABRN Cc1ccc(SCCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222678504 557372933 /nfs/dbraw/zinc/37/29/33/557372933.db2.gz ZOGFEXRZXIPVGC-HXUWFJFHSA-N 0 0 426.626 5.118 40 0 IKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(I)cc1 ZINC000222682291 557373510 /nfs/dbraw/zinc/37/35/10/557373510.db2.gz NXRIOPXZNLGSTN-UHFFFAOYSA-N 0 0 431.726 5.456 40 0 IKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)cc3Cl)N21 ZINC000222684234 557373853 /nfs/dbraw/zinc/37/38/53/557373853.db2.gz YZYXAYNRCWHIMY-GQWLDOHISA-N 0 0 443.403 6.159 40 0 IKABRN C[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000222707613 557376977 /nfs/dbraw/zinc/37/69/77/557376977.db2.gz UDTZRKADCUXUDP-GOSISDBHSA-N 0 0 435.545 5.120 40 0 IKABRN C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000222707679 557377015 /nfs/dbraw/zinc/37/70/15/557377015.db2.gz UDTZRKADCUXUDP-SFHVURJKSA-N 0 0 435.545 5.120 40 0 IKABRN Cc1ccccc1CN(C(=O)CCc1cccc2ccccc21)[C@@H](C)C(=O)NC(C)(C)C ZINC000222708078 557377185 /nfs/dbraw/zinc/37/71/85/557377185.db2.gz PQCJVWUJQRFFSS-NRFANRHFSA-N 0 0 430.592 5.413 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000222708297 557377196 /nfs/dbraw/zinc/37/71/96/557377196.db2.gz KMAAAPOXPYKQJK-NRFANRHFSA-N 0 0 435.395 5.258 40 0 IKABRN Cc1ccccc1CN(C(=O)COc1ccccc1C(C)(C)C)[C@@H](C)C(=O)NC(C)(C)C ZINC000222709692 557377297 /nfs/dbraw/zinc/37/72/97/557377297.db2.gz GHQZKHVPIYOWJQ-FQEVSTJZSA-N 0 0 438.612 5.003 40 0 IKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)N21 ZINC000222713550 557377614 /nfs/dbraw/zinc/37/76/14/557377614.db2.gz HVBXVPCBGLKPCX-PUCZYUMASA-N 0 0 444.387 6.628 40 0 IKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N21 ZINC000222713810 557378030 /nfs/dbraw/zinc/37/80/30/557378030.db2.gz UCMDXYYSHYYMSJ-PUCZYUMASA-N 0 0 444.387 6.628 40 0 IKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N21 ZINC000222713979 557378113 /nfs/dbraw/zinc/37/81/13/557378113.db2.gz UCMDXYYSHYYMSJ-LVXYXVKQSA-N 0 0 444.387 6.628 40 0 IKABRN Cc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222713655 557378118 /nfs/dbraw/zinc/37/81/18/557378118.db2.gz UGDSLXONSQTTIH-QGZVFWFLSA-N 0 0 433.017 5.073 40 0 IKABRN CCC1(CC)C[C@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2O1 ZINC000222714711 557378366 /nfs/dbraw/zinc/37/83/66/557378366.db2.gz FNEMNIGIPXLAAI-IBGZPJMESA-N 0 0 438.420 6.425 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000222715001 557378472 /nfs/dbraw/zinc/37/84/72/557378472.db2.gz PDOXCCDXJMNRCT-UHFFFAOYSA-N 0 0 430.400 6.456 40 0 IKABRN Cc1cccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222715042 557378534 /nfs/dbraw/zinc/37/85/34/557378534.db2.gz SZWXNTMUSHHTIQ-SFHVURJKSA-N 0 0 447.044 5.463 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCc1ccco1 ZINC000222719219 557378758 /nfs/dbraw/zinc/37/87/58/557378758.db2.gz NVHKDVPUBCMVFU-UHFFFAOYSA-N 0 0 449.359 5.388 40 0 IKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222718974 557378780 /nfs/dbraw/zinc/37/87/80/557378780.db2.gz LTLRCMKDWKPFKE-CYBMUJFWSA-N 0 0 425.381 5.394 40 0 IKABRN CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222720857 557378956 /nfs/dbraw/zinc/37/89/56/557378956.db2.gz RTWKSWIGXJJHSW-UHFFFAOYSA-N 0 0 425.381 5.395 40 0 IKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccc(OC)cc4)c3C)N21 ZINC000222720087 557379018 /nfs/dbraw/zinc/37/90/18/557379018.db2.gz KJZUNXWGCBOWGE-QTLGCAHFSA-N 0 0 446.620 5.786 40 0 IKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000222719668 557379038 /nfs/dbraw/zinc/37/90/38/557379038.db2.gz AQWVQXPKIJZGGV-UHFFFAOYSA-N 0 0 443.827 5.537 40 0 IKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccc(OC)cc4)c3C)N21 ZINC000222719913 557379073 /nfs/dbraw/zinc/37/90/73/557379073.db2.gz KJZUNXWGCBOWGE-BTZRARBUSA-N 0 0 446.620 5.786 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222722608 557379326 /nfs/dbraw/zinc/37/93/26/557379326.db2.gz UMSBUBXAHGWYNV-MRXNPFEDSA-N 0 0 435.395 5.213 40 0 IKABRN CC(C)Oc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000222725091 557379612 /nfs/dbraw/zinc/37/96/12/557379612.db2.gz CKRGOJLVNVPORM-UHFFFAOYSA-N 0 0 426.409 5.763 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1Cl ZINC000222727392 557380026 /nfs/dbraw/zinc/38/00/26/557380026.db2.gz LQKHIYLNJPDFIZ-UHFFFAOYSA-N 0 0 432.756 5.695 40 0 IKABRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)CC(C)(C)O2 ZINC000222728278 557380037 /nfs/dbraw/zinc/38/00/37/557380037.db2.gz UDRLMQPNUCUZFH-SFHVURJKSA-N 0 0 440.392 5.654 40 0 IKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222728431 557380077 /nfs/dbraw/zinc/38/00/77/557380077.db2.gz PXPASEDVJKTYSG-SFHVURJKSA-N 0 0 440.392 5.654 40 0 IKABRN CC[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1 ZINC000222729117 557380119 /nfs/dbraw/zinc/38/01/19/557380119.db2.gz DKGQGTNJEJTSBU-KRWDZBQOSA-N 0 0 428.381 5.511 40 0 IKABRN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1cccc(Br)c1 ZINC000013602409 557380476 /nfs/dbraw/zinc/38/04/76/557380476.db2.gz TWJJZVLXTVJOPY-UHFFFAOYSA-N 0 0 443.300 6.663 40 0 IKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222732198 557380604 /nfs/dbraw/zinc/38/06/04/557380604.db2.gz KENVRGZGEHFOKT-SFHVURJKSA-N 0 0 440.392 5.654 40 0 IKABRN Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000222733695 557380932 /nfs/dbraw/zinc/38/09/32/557380932.db2.gz OQZLFEMXUTVMNI-UHFFFAOYSA-N 0 0 436.364 5.244 40 0 IKABRN CCc1ccc(CC)c(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000222734488 557381173 /nfs/dbraw/zinc/38/11/73/557381173.db2.gz GPBXPLKQPRHAEW-UHFFFAOYSA-N 0 0 432.402 5.567 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000222734896 557381222 /nfs/dbraw/zinc/38/12/22/557381222.db2.gz BUNVGRSKFNSHLK-JOCHJYFZSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222738288 557381456 /nfs/dbraw/zinc/38/14/56/557381456.db2.gz UWWICHIEBHSOOV-JOCHJYFZSA-N 0 0 449.422 5.485 40 0 IKABRN Cc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628684 557382565 /nfs/dbraw/zinc/38/25/65/557382565.db2.gz OGSPVESSKODPPK-UHFFFAOYSA-N 0 0 445.588 5.672 40 0 IKABRN Cc1cc(C)cc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628064 557382581 /nfs/dbraw/zinc/38/25/81/557382581.db2.gz MDBINGVOZJJSCT-UHFFFAOYSA-N 0 0 430.548 5.871 40 0 IKABRN Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000013628234 557382624 /nfs/dbraw/zinc/38/26/24/557382624.db2.gz MEUQAZSFIXMVHA-UHFFFAOYSA-N 0 0 430.548 5.871 40 0 IKABRN CC(C)c1ccc(NC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000113963666 557382663 /nfs/dbraw/zinc/38/26/63/557382663.db2.gz FKTRGUWQMVJBHF-UHFFFAOYSA-N 0 0 440.540 5.168 40 0 IKABRN Cc1cc(C)cc(NC(=O)c2ccc(CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000113963125 557382742 /nfs/dbraw/zinc/38/27/42/557382742.db2.gz RTTMZQXWZHEYBW-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN CCc1ccc(NC(=O)c2ccc(CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000113963811 557382978 /nfs/dbraw/zinc/38/29/78/557382978.db2.gz HIXFZIXALYJMIB-UHFFFAOYSA-N 0 0 436.577 5.084 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000222751300 557383009 /nfs/dbraw/zinc/38/30/09/557383009.db2.gz DWUCYKBUMUBZRQ-FQEVSTJZSA-N 0 0 439.358 5.007 40 0 IKABRN Cc1ccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222750476 557383012 /nfs/dbraw/zinc/38/30/12/557383012.db2.gz JGZUOGKTRUTZFC-SFHVURJKSA-N 0 0 447.044 5.214 40 0 IKABRN CCc1ccccc1NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000113965376 557383506 /nfs/dbraw/zinc/38/35/06/557383506.db2.gz JKKFNMSYXOMNHS-UHFFFAOYSA-N 0 0 436.577 5.084 40 0 IKABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)S(C)(=O)=O)c1 ZINC000113965478 557383537 /nfs/dbraw/zinc/38/35/37/557383537.db2.gz BUTJYBPEABFLPU-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c(C)c1 ZINC000113965257 557383540 /nfs/dbraw/zinc/38/35/40/557383540.db2.gz KYXNUNVMLKXJOA-UHFFFAOYSA-N 0 0 436.577 5.139 40 0 IKABRN CCc1ccc(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000113965994 557384033 /nfs/dbraw/zinc/38/40/33/557384033.db2.gz FCFWWHKLWOHDOY-UHFFFAOYSA-N 0 0 436.577 5.084 40 0 IKABRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2)C(=O)N1c1c(Cl)cccc1Cl ZINC000033920297 557384043 /nfs/dbraw/zinc/38/40/43/557384043.db2.gz GWFDKPXTLMKEHJ-SBHAEUEKSA-N 0 0 439.298 5.045 40 0 IKABRN Cc1ccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222770124 557384731 /nfs/dbraw/zinc/38/47/31/557384731.db2.gz QLRDMLDLJKXRAQ-LJQANCHMSA-N 0 0 445.003 5.139 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)cc1 ZINC000222770802 557385094 /nfs/dbraw/zinc/38/50/94/557385094.db2.gz SKOUGNSQBBYZEO-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN Cc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222772964 557385408 /nfs/dbraw/zinc/38/54/08/557385408.db2.gz RUGCDMJOCUZBDK-HXUWFJFHSA-N 0 0 438.612 5.003 40 0 IKABRN CCc1ccc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000222775741 557385561 /nfs/dbraw/zinc/38/55/61/557385561.db2.gz ULZYWLRZOIQTJG-INIZCTEOSA-N 0 0 442.968 5.194 40 0 IKABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222776798 557385965 /nfs/dbraw/zinc/38/59/65/557385965.db2.gz LMIGMJHSZGGLBT-LLVKDONJSA-N 0 0 448.177 5.006 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)cc1 ZINC000222777610 557385983 /nfs/dbraw/zinc/38/59/83/557385983.db2.gz IKVNEUVFAXDHLA-UHFFFAOYSA-N 0 0 444.556 5.187 40 0 IKABRN Cc1ccc(CN(C(=O)CCc2cccc3ccccc32)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222779698 557386232 /nfs/dbraw/zinc/38/62/32/557386232.db2.gz GSTYYZGLSSVCEX-NRFANRHFSA-N 0 0 430.592 5.413 40 0 IKABRN CCC1(CC)C[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000222784270 557386836 /nfs/dbraw/zinc/38/68/36/557386836.db2.gz ZUFMSTCKRFOCSQ-GOSISDBHSA-N 0 0 428.381 5.495 40 0 IKABRN O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000222800219 557387843 /nfs/dbraw/zinc/38/78/43/557387843.db2.gz BBBXXBKZZHAHDS-UHFFFAOYSA-N 0 0 427.375 5.675 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000222801079 557388185 /nfs/dbraw/zinc/38/81/85/557388185.db2.gz AFDJVZDWYNKPEP-JOCHJYFZSA-N 0 0 449.422 5.485 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000222801026 557388200 /nfs/dbraw/zinc/38/82/00/557388200.db2.gz AFDJVZDWYNKPEP-QFIPXVFZSA-N 0 0 449.422 5.485 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F ZINC000222801231 557388210 /nfs/dbraw/zinc/38/82/10/557388210.db2.gz UHHDLMICQZCVLY-HXUWFJFHSA-N 0 0 439.358 5.007 40 0 IKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000222805217 557388686 /nfs/dbraw/zinc/38/86/86/557388686.db2.gz YOJIDVNCYXJUFR-OALUTQOASA-N 0 0 446.345 5.236 40 0 IKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222816764 557389888 /nfs/dbraw/zinc/38/98/88/557389888.db2.gz DPGCGRNWULAMAX-GOTSBHOMSA-N 0 0 439.028 5.832 40 0 IKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222816271 557389893 /nfs/dbraw/zinc/38/98/93/557389893.db2.gz SHLAOECVXZNQGD-IBGZPJMESA-N 0 0 443.031 5.728 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222826110 557390764 /nfs/dbraw/zinc/39/07/64/557390764.db2.gz SDTNTNDZCHTRCV-CYBMUJFWSA-N 0 0 427.759 5.090 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222826045 557390785 /nfs/dbraw/zinc/39/07/85/557390785.db2.gz SDTNTNDZCHTRCV-ZDUSSCGKSA-N 0 0 427.759 5.090 40 0 IKABRN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850134 557391287 /nfs/dbraw/zinc/39/12/87/557391287.db2.gz RMBIGQQPCVBHEX-QGZVFWFLSA-N 0 0 432.549 5.322 40 0 IKABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850146 557391307 /nfs/dbraw/zinc/39/13/07/557391307.db2.gz HCNKNKGYJXRSBR-OAHLLOKOSA-N 0 0 430.961 5.131 40 0 IKABRN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870830 557391908 /nfs/dbraw/zinc/39/19/08/557391908.db2.gz WEBJYUUCJCLJFL-OAHLLOKOSA-N 0 0 430.961 5.131 40 0 IKABRN CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870943 557392050 /nfs/dbraw/zinc/39/20/50/557392050.db2.gz MVALLPFZYDDABR-CVEARBPZSA-N 0 0 444.988 5.061 40 0 IKABRN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870912 557392104 /nfs/dbraw/zinc/39/21/04/557392104.db2.gz HONNFDBAPKTHTQ-MRXNPFEDSA-N 0 0 444.988 5.439 40 0 IKABRN CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870942 557392109 /nfs/dbraw/zinc/39/21/09/557392109.db2.gz MVALLPFZYDDABR-HOTGVXAUSA-N 0 0 444.988 5.061 40 0 IKABRN C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222837697 557392167 /nfs/dbraw/zinc/39/21/67/557392167.db2.gz XRRVXTZNDSRPRV-FQEVSTJZSA-N 0 0 438.999 5.307 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2CC)cc1 ZINC000013871524 557392313 /nfs/dbraw/zinc/39/23/13/557392313.db2.gz MZXWHUDDDUJHPU-HNNXBMFYSA-N 0 0 444.988 5.385 40 0 IKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2CC)cc1 ZINC000013871544 557392336 /nfs/dbraw/zinc/39/23/36/557392336.db2.gz FYMDIFJKIFPAMA-SFHVURJKSA-N 0 0 438.597 5.348 40 0 IKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222840235 557392436 /nfs/dbraw/zinc/39/24/36/557392436.db2.gz ULBVPLHCXGRCFU-UXHICEINSA-N 0 0 430.499 5.272 40 0 IKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3CC)n2CC)cc1 ZINC000013871555 557392502 /nfs/dbraw/zinc/39/25/02/557392502.db2.gz RBSOFEXTVRSVQK-QGZVFWFLSA-N 0 0 438.597 5.294 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 ZINC000222841483 557392531 /nfs/dbraw/zinc/39/25/31/557392531.db2.gz KBATUKIETVIYPJ-PMACEKPBSA-N 0 0 441.398 5.016 40 0 IKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222841139 557392542 /nfs/dbraw/zinc/39/25/42/557392542.db2.gz BOSCVILNYMRCJQ-RUZDIDTESA-N 0 0 438.612 5.083 40 0 IKABRN Cc1cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000222842215 557392588 /nfs/dbraw/zinc/39/25/88/557392588.db2.gz BAZYPMBCJJNSQP-CYBMUJFWSA-N 0 0 432.800 5.772 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222845676 557393149 /nfs/dbraw/zinc/39/31/49/557393149.db2.gz XDMUUKMZFMTPLQ-VQTJNVASSA-N 0 0 429.998 5.860 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222848452 557393377 /nfs/dbraw/zinc/39/33/77/557393377.db2.gz VZSMOBOIKBPBAF-VQTJNVASSA-N 0 0 432.376 6.029 40 0 IKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222848609 557393710 /nfs/dbraw/zinc/39/37/10/557393710.db2.gz IPDLSFLSEYSCRO-PMACEKPBSA-N 0 0 432.376 6.029 40 0 IKABRN CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222849161 557393766 /nfs/dbraw/zinc/39/37/66/557393766.db2.gz CFFPAYBQLDBDOB-KRWDZBQOSA-N 0 0 435.395 5.116 40 0 IKABRN Clc1ccc(CSc2nnc(Cc3ccc(Br)cc3)o2)cc1Cl ZINC000010475616 557394342 /nfs/dbraw/zinc/39/43/42/557394342.db2.gz OTHOCRSXLMQTAK-UHFFFAOYSA-N 0 0 430.154 6.022 40 0 IKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222856142 557395001 /nfs/dbraw/zinc/39/50/01/557395001.db2.gz CTZCWUVLHPWHMF-IBGZPJMESA-N 0 0 443.031 5.728 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000222857651 557395046 /nfs/dbraw/zinc/39/50/46/557395046.db2.gz LRQDSSQFSXGLQF-MRXNPFEDSA-N 0 0 435.395 5.258 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222855991 557395052 /nfs/dbraw/zinc/39/50/52/557395052.db2.gz BTFNIJLYBQLJKV-SFHVURJKSA-N 0 0 429.004 5.167 40 0 IKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000013842553 557395074 /nfs/dbraw/zinc/39/50/74/557395074.db2.gz PGMONTRALWYHLA-UHFFFAOYSA-N 0 0 436.408 6.600 40 0 IKABRN Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222860388 557395255 /nfs/dbraw/zinc/39/52/55/557395255.db2.gz DTLIVIOAAQFWMO-SFHVURJKSA-N 0 0 447.044 5.214 40 0 IKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000013842758 557395347 /nfs/dbraw/zinc/39/53/47/557395347.db2.gz DFRCGSPKJPLUED-UHFFFAOYSA-N 0 0 438.597 5.348 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000222861718 557395559 /nfs/dbraw/zinc/39/55/59/557395559.db2.gz FQJOJYYVWFKWNY-DHIUTWEWSA-N 0 0 439.028 5.833 40 0 IKABRN COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000013925312 557396557 /nfs/dbraw/zinc/39/65/57/557396557.db2.gz LAQBXMPYNITNQN-MOSHPQCFSA-N 0 0 447.874 5.221 40 0 IKABRN Cc1ccc(COc2ccccc2/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000013928587 557396859 /nfs/dbraw/zinc/39/68/59/557396859.db2.gz BIEGYQUCNBEJQF-STZFKDTASA-N 0 0 448.316 5.681 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000013946282 557397214 /nfs/dbraw/zinc/39/72/14/557397214.db2.gz ROOJCVLHPOHISU-UHFFFAOYSA-N 0 0 443.808 6.385 40 0 IKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000222882303 557397466 /nfs/dbraw/zinc/39/74/66/557397466.db2.gz VFRFIYGTSZRYOQ-DFBJGRDBSA-N 0 0 430.548 5.536 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222894135 557399606 /nfs/dbraw/zinc/39/96/06/557399606.db2.gz OZPLLYUCIJVSPY-PMACEKPBSA-N 0 0 432.376 6.031 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C ZINC000013980887 557399791 /nfs/dbraw/zinc/39/97/91/557399791.db2.gz FAVLZDYSBPIAOB-UHFFFAOYSA-N 0 0 449.359 5.663 40 0 IKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222894205 557399897 /nfs/dbraw/zinc/39/98/97/557399897.db2.gz OZPLLYUCIJVSPY-UXHICEINSA-N 0 0 432.376 6.031 40 0 IKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222894558 557399922 /nfs/dbraw/zinc/39/99/22/557399922.db2.gz WTEMCKFANLCLME-VQTJNVASSA-N 0 0 432.376 6.031 40 0 IKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222894971 557399955 /nfs/dbraw/zinc/39/99/55/557399955.db2.gz XJLLDUHIXSUSQK-SANMLTNESA-N 0 0 446.591 5.113 40 0 IKABRN O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(-c2ccccc2)cc1 ZINC000013992054 557400435 /nfs/dbraw/zinc/40/04/35/557400435.db2.gz USFCSQRGOZCJOY-UHFFFAOYSA-N 0 0 439.496 6.034 40 0 IKABRN O=C(Nc1cccc(F)c1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 ZINC000013992105 557400485 /nfs/dbraw/zinc/40/04/85/557400485.db2.gz ANHFXSGGXQWTSS-UHFFFAOYSA-N 0 0 431.517 6.478 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222902985 557400931 /nfs/dbraw/zinc/40/09/31/557400931.db2.gz SBPWVWNNUWVFNG-CQSZACIVSA-N 0 0 439.358 5.007 40 0 IKABRN COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccccc1Cl ZINC000013995220 557401048 /nfs/dbraw/zinc/40/10/48/557401048.db2.gz UBLNCNSKHJWTLR-RBZFPXEDSA-N 0 0 443.956 5.122 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000222907648 557401499 /nfs/dbraw/zinc/40/14/99/557401499.db2.gz JWPYIFHPCXPCMY-MRXNPFEDSA-N 0 0 435.395 5.258 40 0 IKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222910628 557401518 /nfs/dbraw/zinc/40/15/18/557401518.db2.gz ODQSOEQUYQRMAL-SFTDATJTSA-N 0 0 428.964 5.293 40 0 IKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000222907587 557401522 /nfs/dbraw/zinc/40/15/22/557401522.db2.gz JWPYIFHPCXPCMY-INIZCTEOSA-N 0 0 435.395 5.258 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222909585 557401527 /nfs/dbraw/zinc/40/15/27/557401527.db2.gz ZMMWCZXTPDPTGN-JOCHJYFZSA-N 0 0 449.422 5.506 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222909080 557401541 /nfs/dbraw/zinc/40/15/41/557401541.db2.gz DYUQFSBZFIGBDJ-RTWAWAEBSA-N 0 0 433.606 5.111 40 0 IKABRN COc1cccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1OC ZINC000013995355 557401598 /nfs/dbraw/zinc/40/15/98/557401598.db2.gz UQYJHHINUISCIB-RNODOKPDSA-N 0 0 443.956 5.015 40 0 IKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222911609 557401803 /nfs/dbraw/zinc/40/18/03/557401803.db2.gz QLEPOUJFUVZXFC-NHCUHLMSSA-N 0 0 445.419 5.808 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000222917497 557402344 /nfs/dbraw/zinc/40/23/44/557402344.db2.gz WENAJUAQUBHHNK-NRFANRHFSA-N 0 0 438.008 5.984 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000222918783 557402588 /nfs/dbraw/zinc/40/25/88/557402588.db2.gz XPLSNVDUFXGZNV-RUZDIDTESA-N 0 0 444.575 5.710 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000222920553 557402835 /nfs/dbraw/zinc/40/28/35/557402835.db2.gz ZZIGBFNBIHLSFR-QHCPKHFHSA-N 0 0 429.004 5.452 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000222921148 557402851 /nfs/dbraw/zinc/40/28/51/557402851.db2.gz HTWVEPUCGNGQQF-SFHVURJKSA-N 0 0 429.582 5.507 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222924722 557403647 /nfs/dbraw/zinc/40/36/47/557403647.db2.gz MORHRTZWSGKNAK-DEOSSOPVSA-N 0 0 436.596 5.796 40 0 IKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222924659 557403673 /nfs/dbraw/zinc/40/36/73/557403673.db2.gz MORHRTZWSGKNAK-XMMPIXPASA-N 0 0 436.596 5.796 40 0 IKABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222930760 557404490 /nfs/dbraw/zinc/40/44/90/557404490.db2.gz 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ZINC000223023832 557416761 /nfs/dbraw/zinc/41/67/61/557416761.db2.gz HAJGISJXOFNWRT-OAQYLSRUSA-N 0 0 432.427 5.829 40 0 IKABRN Cc1cc(C)cc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223024371 557416784 /nfs/dbraw/zinc/41/67/84/557416784.db2.gz LGYMTECDDFJDAA-KRWDZBQOSA-N 0 0 449.422 5.485 40 0 IKABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000223028806 557417487 /nfs/dbraw/zinc/41/74/87/557417487.db2.gz JHZHRJBESFSLFY-WOJBJXKFSA-N 0 0 448.375 5.267 40 0 IKABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000223028419 557417516 /nfs/dbraw/zinc/41/75/16/557417516.db2.gz VEZBEHLPTHJGQU-UXHICEINSA-N 0 0 448.375 5.267 40 0 IKABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000223028275 557417579 /nfs/dbraw/zinc/41/75/79/557417579.db2.gz VHERHBNMXZKMTE-WOJBJXKFSA-N 0 0 448.375 5.267 40 0 IKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223029325 557417849 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IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223096514 557431078 /nfs/dbraw/zinc/43/10/78/557431078.db2.gz QRXXFTYVSAFOCO-OAQYLSRUSA-N 0 0 426.626 5.119 40 0 IKABRN Cc1cccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000014272039 557431253 /nfs/dbraw/zinc/43/12/53/557431253.db2.gz VFERKKAFSGIFDL-UHFFFAOYSA-N 0 0 443.355 6.596 40 0 IKABRN CC(C)c1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000014272019 557431281 /nfs/dbraw/zinc/43/12/81/557431281.db2.gz ZMTBDOMKCHFLOZ-UHFFFAOYSA-N 0 0 441.383 7.646 40 0 IKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000014272077 557431474 /nfs/dbraw/zinc/43/14/74/557431474.db2.gz FRJZZYBIENCVNG-MDWZMJQESA-N 0 0 448.320 5.653 40 0 IKABRN CCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 ZINC000014272152 557431491 /nfs/dbraw/zinc/43/14/91/557431491.db2.gz ZCELHCQFWLDUIJ-UHFFFAOYSA-N 0 0 441.314 6.382 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c(F)c1F ZINC000014272101 557431495 /nfs/dbraw/zinc/43/14/95/557431495.db2.gz DYLYZRBTQOFBFP-UHFFFAOYSA-N 0 0 449.791 5.701 40 0 IKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4ccc(Cl)cc4)c3)oc2c1 ZINC000014272201 557431503 /nfs/dbraw/zinc/43/15/03/557431503.db2.gz LFMQGUUBLGEHDE-UHFFFAOYSA-N 0 0 443.355 6.841 40 0 IKABRN Cc1ccc2nc(-c3cc(NC(=O)COc4cc(C)ccc4C(C)C)ccc3Cl)oc2c1 ZINC000014272169 557431521 /nfs/dbraw/zinc/43/15/21/557431521.db2.gz FXJDTJNZMMGQPN-UHFFFAOYSA-N 0 0 448.950 6.906 40 0 IKABRN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000014272081 557431534 /nfs/dbraw/zinc/43/15/34/557431534.db2.gz UDCLNBRYQGFORU-UHFFFAOYSA-N 0 0 448.309 7.049 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000014272281 557431647 /nfs/dbraw/zinc/43/16/47/557431647.db2.gz PAVGIEFXHMSOOO-UHFFFAOYSA-N 0 0 441.314 6.679 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000014272231 557431677 /nfs/dbraw/zinc/43/16/77/557431677.db2.gz JSWMCPLVVPQOGV-UHFFFAOYSA-N 0 0 447.705 6.716 40 0 IKABRN Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc(C5CCCCC5)cc4)c3)oc2c1 ZINC000014272291 557431723 /nfs/dbraw/zinc/43/17/23/557431723.db2.gz IYHWRPNDPVHIRG-UHFFFAOYSA-N 0 0 440.543 6.868 40 0 IKABRN COc1ccc2oc(-c3cccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)c3)nc2c1 ZINC000014272407 557431944 /nfs/dbraw/zinc/43/19/44/557431944.db2.gz XZWSIYHOABIEII-UHFFFAOYSA-N 0 0 446.356 5.321 40 0 IKABRN O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc2c(c1)OCCO2 ZINC000014272579 557432111 /nfs/dbraw/zinc/43/21/11/557432111.db2.gz FRVHBTWSHQZXDH-UHFFFAOYSA-N 0 0 448.478 6.185 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000014272594 557432122 /nfs/dbraw/zinc/43/21/22/557432122.db2.gz SRMGIOXIYCNWLA-UHFFFAOYSA-N 0 0 447.705 6.716 40 0 IKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000014272685 557432136 /nfs/dbraw/zinc/43/21/36/557432136.db2.gz VWCHSNNYIPPXTR-UHFFFAOYSA-N 0 0 444.510 5.625 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 ZINC000014272698 557432192 /nfs/dbraw/zinc/43/21/92/557432192.db2.gz HKHWMPZSTMHCAS-UHFFFAOYSA-N 0 0 446.963 6.412 40 0 IKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000014272742 557432348 /nfs/dbraw/zinc/43/23/48/557432348.db2.gz OEHSSJVNSGXNSA-UHFFFAOYSA-N 0 0 447.325 6.441 40 0 IKABRN CCCC(=O)Nc1cccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c1 ZINC000014273094 557432536 /nfs/dbraw/zinc/43/25/36/557432536.db2.gz KFUGTOYDBPJZBP-UHFFFAOYSA-N 0 0 443.758 6.020 40 0 IKABRN COc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1NC(=O)C(C)C ZINC000014273043 557432549 /nfs/dbraw/zinc/43/25/49/557432549.db2.gz CMGLHPTZYYVQON-UHFFFAOYSA-N 0 0 447.318 6.109 40 0 IKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)cc1Cl ZINC000014272976 557432589 /nfs/dbraw/zinc/43/25/89/557432589.db2.gz YDLLZYYTBSHGPN-FARCUNLSSA-N 0 0 445.538 5.526 40 0 IKABRN CCCCc1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1 ZINC000014272960 557432644 /nfs/dbraw/zinc/43/26/44/557432644.db2.gz HQWLGPKVFFMNII-UHFFFAOYSA-N 0 0 441.163 5.815 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1Cl ZINC000014273138 557432752 /nfs/dbraw/zinc/43/27/52/557432752.db2.gz JMCDRUTWEHATHS-UHFFFAOYSA-N 0 0 443.758 5.118 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1N1CCCCC1 ZINC000014273131 557432826 /nfs/dbraw/zinc/43/28/26/557432826.db2.gz VADQEKKDMWQXLM-JLHYYAGUSA-N 0 0 441.358 6.896 40 0 IKABRN CC[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)CCCC2 ZINC000223110483 557433009 /nfs/dbraw/zinc/43/30/09/557433009.db2.gz XYJFSKVGALFJOC-SANMLTNESA-N 0 0 433.979 6.679 40 0 IKABRN C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)c2C(N)=O)C1 ZINC000014273335 557433039 /nfs/dbraw/zinc/43/30/39/557433039.db2.gz YWXIWPJNSJBPKB-JTQLQIEISA-N 0 0 449.359 5.791 40 0 IKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc4c(Cl)cccc34)c2C(N)=O)C1 ZINC000014273310 557433068 /nfs/dbraw/zinc/43/30/68/557433068.db2.gz UBBFWNYAEHVUGC-CYBMUJFWSA-N 0 0 440.996 6.057 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223116538 557433906 /nfs/dbraw/zinc/43/39/06/557433906.db2.gz VBVZQEZPCHDWGP-VQTJNVASSA-N 0 0 440.603 5.388 40 0 IKABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000014291104 557434048 /nfs/dbraw/zinc/43/40/48/557434048.db2.gz DYPPEQUPIKDYIW-UHFFFAOYSA-N 0 0 435.955 5.050 40 0 IKABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000014291128 557434054 /nfs/dbraw/zinc/43/40/54/557434054.db2.gz NIJHFRVXCLYALL-UHFFFAOYSA-N 0 0 427.976 5.020 40 0 IKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000014396345 557434964 /nfs/dbraw/zinc/43/49/64/557434964.db2.gz NWRIFCPLRQXCBK-OAHLLOKOSA-N 0 0 440.436 6.108 40 0 IKABRN CCC1(CC)C[C@@H](NC(=O)c2ccc(I)cc2)c2ccccc2O1 ZINC000223124205 557435048 /nfs/dbraw/zinc/43/50/48/557435048.db2.gz DISSLWFDGAKSFG-QGZVFWFLSA-N 0 0 435.305 5.104 40 0 IKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000014396700 557435202 /nfs/dbraw/zinc/43/52/02/557435202.db2.gz CIWFYRMNMKHLOG-IBGZPJMESA-N 0 0 428.381 5.209 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223125999 557435417 /nfs/dbraw/zinc/43/54/17/557435417.db2.gz BSRJILATWSMBCT-QFIPXVFZSA-N 0 0 436.640 5.559 40 0 IKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(OC)cc1 ZINC000223128383 557435700 /nfs/dbraw/zinc/43/57/00/557435700.db2.gz OXRHODQBFHVZIZ-LEYFIJQKSA-N 0 0 434.561 5.104 40 0 IKABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000223129129 557435873 /nfs/dbraw/zinc/43/58/73/557435873.db2.gz UCCVTAWYTAJRDE-OAQYLSRUSA-N 0 0 430.592 5.147 40 0 IKABRN COc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000014398244 557435977 /nfs/dbraw/zinc/43/59/77/557435977.db2.gz UMMUNCJTDZJLMN-UHFFFAOYSA-N 0 0 428.381 5.211 40 0 IKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000014398085 557436008 /nfs/dbraw/zinc/43/60/08/557436008.db2.gz HIHYSVWFSMBZBH-UHFFFAOYSA-N 0 0 428.315 6.022 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223130884 557436363 /nfs/dbraw/zinc/43/63/63/557436363.db2.gz YJZLJTBOJUHVHO-NRFANRHFSA-N 0 0 438.612 5.005 40 0 IKABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000014399605 557436728 /nfs/dbraw/zinc/43/67/28/557436728.db2.gz ISYSCSHHBBKKIY-UHFFFAOYSA-N 0 0 440.590 5.017 40 0 IKABRN CC(C)CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223134342 557436880 /nfs/dbraw/zinc/43/68/80/557436880.db2.gz VPVDLASYHLPJQC-QHCPKHFHSA-N 0 0 429.004 5.098 40 0 IKABRN CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223134194 557436978 /nfs/dbraw/zinc/43/69/78/557436978.db2.gz OGJSRTKSWHYDLM-QHCPKHFHSA-N 0 0 429.004 5.242 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000223135041 557437167 /nfs/dbraw/zinc/43/71/67/557437167.db2.gz GMALWTLYVIZDSF-NRFANRHFSA-N 0 0 447.044 5.295 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000223136114 557437345 /nfs/dbraw/zinc/43/73/45/557437345.db2.gz QLQBWGHGURJIEF-QFIPXVFZSA-N 0 0 426.626 5.199 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000223138270 557437797 /nfs/dbraw/zinc/43/77/97/557437797.db2.gz MEGIHWGRACYNAO-MRXNPFEDSA-N 0 0 440.436 6.242 40 0 IKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223140559 557438015 /nfs/dbraw/zinc/43/80/15/557438015.db2.gz RKJIWAWDFHULCV-LSDHHAIUSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223140503 557438017 /nfs/dbraw/zinc/43/80/17/557438017.db2.gz RKJIWAWDFHULCV-HUUCEWRRSA-N 0 0 439.358 5.007 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223140412 557438022 /nfs/dbraw/zinc/43/80/22/557438022.db2.gz IAFRZXHNRFCOKX-GJZGRUSLSA-N 0 0 439.358 5.007 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223139397 557438040 /nfs/dbraw/zinc/43/80/40/557438040.db2.gz FSWUIQYREQTBJE-QFIPXVFZSA-N 0 0 430.592 5.414 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223142555 557438335 /nfs/dbraw/zinc/43/83/35/557438335.db2.gz FWRJXQLXGXDOIY-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223178275 557442053 /nfs/dbraw/zinc/44/20/53/557442053.db2.gz DLIKGWCLVMYOCR-FQEVSTJZSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223178599 557442256 /nfs/dbraw/zinc/44/22/56/557442256.db2.gz JKUZWVLGIPWXSL-JOCHJYFZSA-N 0 0 429.004 5.124 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 ZINC000223180627 557442508 /nfs/dbraw/zinc/44/25/08/557442508.db2.gz RFXIAPJAIWNDER-QHCPKHFHSA-N 0 0 440.653 5.259 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)c1 ZINC000223181914 557442712 /nfs/dbraw/zinc/44/27/12/557442712.db2.gz HVRCQVZFINOMQM-IBGZPJMESA-N 0 0 448.588 5.084 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223184806 557442953 /nfs/dbraw/zinc/44/29/53/557442953.db2.gz 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CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000223333482 557460004 /nfs/dbraw/zinc/46/00/04/557460004.db2.gz SSNSSKYCSNTLDS-KRWDZBQOSA-N 0 0 435.395 5.260 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccco1 ZINC000223337365 557460217 /nfs/dbraw/zinc/46/02/17/557460217.db2.gz GDUUWVWIQRZHCY-VXKWHMMOSA-N 0 0 434.952 5.291 40 0 IKABRN Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223340591 557460339 /nfs/dbraw/zinc/46/03/39/557460339.db2.gz OKWLKNDTDPFPLD-PKTZIBPZSA-N 0 0 447.585 5.900 40 0 IKABRN CC(C)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000015225610 557460568 /nfs/dbraw/zinc/46/05/68/557460568.db2.gz UEOVJUPZHLIFPH-UHFFFAOYSA-N 0 0 429.545 5.240 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223343291 557460631 /nfs/dbraw/zinc/46/06/31/557460631.db2.gz FAUHMELQYKGMKN-JOCHJYFZSA-N 0 0 429.004 5.303 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223346409 557460865 /nfs/dbraw/zinc/46/08/65/557460865.db2.gz MNTPUNXIDYAMGK-JOCHJYFZSA-N 0 0 429.004 5.221 40 0 IKABRN CCc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)cc1 ZINC000015322898 557461010 /nfs/dbraw/zinc/46/10/10/557461010.db2.gz YLVXPZXOYNYZBT-UHFFFAOYSA-N 0 0 447.354 5.161 40 0 IKABRN CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000223348092 557461040 /nfs/dbraw/zinc/46/10/40/557461040.db2.gz NYSTVUSQGFIGTP-DEOSSOPVSA-N 0 0 434.967 5.382 40 0 IKABRN CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223348774 557461100 /nfs/dbraw/zinc/46/11/00/557461100.db2.gz PQNAQCJCCIYWCY-JOCHJYFZSA-N 0 0 445.003 5.003 40 0 IKABRN COc1ccc(-c2csc(NC(=O)COc3cc(C)cc(C)c3)n2)cc1Br ZINC000015322894 557461064 /nfs/dbraw/zinc/46/10/64/557461064.db2.gz HNPSWVIMNOSZBN-UHFFFAOYSA-N 0 0 447.354 5.216 40 0 IKABRN CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223355313 557461815 /nfs/dbraw/zinc/46/18/15/557461815.db2.gz URBDHPPCOZDVPJ-HHHXNRCGSA-N 0 0 428.576 5.162 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1C ZINC000223358199 557462020 /nfs/dbraw/zinc/46/20/20/557462020.db2.gz RKTAERRRESUYLC-OAQYLSRUSA-N 0 0 445.003 5.058 40 0 IKABRN CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223359045 557462349 /nfs/dbraw/zinc/46/23/49/557462349.db2.gz AJHXYOZNFYLHIJ-MUUNZHRXSA-N 0 0 442.603 5.552 40 0 IKABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223359725 557462371 /nfs/dbraw/zinc/46/23/71/557462371.db2.gz CJVPBSQXQQAGBF-AREMUKBSSA-N 0 0 448.994 5.569 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223361261 557462490 /nfs/dbraw/zinc/46/24/90/557462490.db2.gz JTMVFHNUWXPSSB-OAQYLSRUSA-N 0 0 447.044 5.463 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccco1 ZINC000223360433 557462548 /nfs/dbraw/zinc/46/25/48/557462548.db2.gz YINKKZSBSNTKEK-FGZHOGPDSA-N 0 0 433.558 5.592 40 0 IKABRN CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](CC)C(=O)NC)cc1 ZINC000223364481 557462970 /nfs/dbraw/zinc/46/29/70/557462970.db2.gz XWGOTFQJMPTEKP-OAQYLSRUSA-N 0 0 435.395 5.042 40 0 IKABRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223364590 557462972 /nfs/dbraw/zinc/46/29/72/557462972.db2.gz KDTCKDHAHCMNNY-PKTZIBPZSA-N 0 0 449.963 6.069 40 0 IKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223363853 557463024 /nfs/dbraw/zinc/46/30/24/557463024.db2.gz ATNILYQIBHMTTI-DHIUTWEWSA-N 0 0 449.963 6.069 40 0 IKABRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1Cl ZINC000223364939 557463064 /nfs/dbraw/zinc/46/30/64/557463064.db2.gz MGRQTPPWZXTVQL-PKTZIBPZSA-N 0 0 449.963 6.069 40 0 IKABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223365929 557463300 /nfs/dbraw/zinc/46/33/00/557463300.db2.gz CKXYGUPVXBTYFQ-LJQANCHMSA-N 0 0 441.786 5.133 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000223367804 557463533 /nfs/dbraw/zinc/46/35/33/557463533.db2.gz FKBCHIFKFGDEQE-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000223367962 557463598 /nfs/dbraw/zinc/46/35/98/557463598.db2.gz GSXKEYICKXMFPL-HHHXNRCGSA-N 0 0 444.575 5.142 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223372510 557463704 /nfs/dbraw/zinc/46/37/04/557463704.db2.gz LRQADXWTFLIYQY-DVECYGJZSA-N 0 0 425.613 6.459 40 0 IKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223372405 557463792 /nfs/dbraw/zinc/46/37/92/557463792.db2.gz LRQADXWTFLIYQY-CYFREDJKSA-N 0 0 425.613 6.459 40 0 IKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2cccc(Br)c2)cc1C(C)C ZINC000223373550 557464012 /nfs/dbraw/zinc/46/40/12/557464012.db2.gz NFIMQYMUPMIWAL-HNNXBMFYSA-N 0 0 440.403 5.070 40 0 IKABRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223375870 557464552 /nfs/dbraw/zinc/46/45/52/557464552.db2.gz HBRGYGJTMJWREL-JWQCQUIFSA-N 0 0 440.572 5.054 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C ZINC000223376011 557464555 /nfs/dbraw/zinc/46/45/55/557464555.db2.gz KUKYGFGFUSMPJR-QGZVFWFLSA-N 0 0 435.395 5.178 40 0 IKABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223375992 557464584 /nfs/dbraw/zinc/46/45/84/557464584.db2.gz HBRGYGJTMJWREL-LOSJGSFVSA-N 0 0 440.572 5.054 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223376286 557464596 /nfs/dbraw/zinc/46/45/96/557464596.db2.gz QDZXRCCCAZWPMH-GOSISDBHSA-N 0 0 449.422 5.486 40 0 IKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCCC1 ZINC000223380780 557465051 /nfs/dbraw/zinc/46/50/51/557465051.db2.gz VSAUTSCXVCHNCI-CLJLJLNGSA-N 0 0 444.648 6.178 40 0 IKABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1C(C)C ZINC000223382916 557465368 /nfs/dbraw/zinc/46/53/68/557465368.db2.gz QCWKNOLKWPXODB-GOSISDBHSA-N 0 0 433.614 5.607 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223387821 557465868 /nfs/dbraw/zinc/46/58/68/557465868.db2.gz DJXGXLNPEKIOGT-JOCHJYFZSA-N 0 0 429.004 5.303 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223387617 557465886 /nfs/dbraw/zinc/46/58/86/557465886.db2.gz GVARWWPXIDHDKZ-FQEVSTJZSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223387676 557465900 /nfs/dbraw/zinc/46/59/00/557465900.db2.gz GVARWWPXIDHDKZ-HXUWFJFHSA-N 0 0 435.395 5.258 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C ZINC000223393186 557466047 /nfs/dbraw/zinc/46/60/47/557466047.db2.gz URTYVFJLFNTEQZ-NRFANRHFSA-N 0 0 445.003 5.058 40 0 IKABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223396133 557466655 /nfs/dbraw/zinc/46/66/55/557466655.db2.gz MNXBSWGFVWUJPH-LOSJGSFVSA-N 0 0 440.572 5.054 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccc1 ZINC000223399319 557466846 /nfs/dbraw/zinc/46/68/46/557466846.db2.gz LJDIVWJKUXMCHA-BJKOFHAPSA-N 0 0 445.975 6.168 40 0 IKABRN Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 ZINC000223399182 557466903 /nfs/dbraw/zinc/46/69/03/557466903.db2.gz YOWBDRJPACNHGU-RPWUZVMVSA-N 0 0 429.520 5.653 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C ZINC000223402629 557467080 /nfs/dbraw/zinc/46/70/80/557467080.db2.gz OKQDQIFWZKHEDA-NRFANRHFSA-N 0 0 445.003 5.058 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C ZINC000223402683 557467096 /nfs/dbraw/zinc/46/70/96/557467096.db2.gz OKQDQIFWZKHEDA-OAQYLSRUSA-N 0 0 445.003 5.058 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223406701 557467884 /nfs/dbraw/zinc/46/78/84/557467884.db2.gz AJIJCGXXXJKIEO-SFHVURJKSA-N 0 0 449.422 5.568 40 0 IKABRN O=C(c1ccccc1-c1ccccc1)N(CCCN1CCOCC1)Cc1ccccc1Cl ZINC000026416765 557467922 /nfs/dbraw/zinc/46/79/22/557467922.db2.gz WTBSONYGSXRSNX-UHFFFAOYSA-N 0 0 448.994 5.372 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3c(C)cccc3C(C)C)o2)cc1 ZINC000223406668 557467933 /nfs/dbraw/zinc/46/79/33/557467933.db2.gz GIOKJLSRSQYVJO-UHFFFAOYSA-N 0 0 440.565 5.093 40 0 IKABRN CCOc1ccc([C@H](C)NC(=O)c2cc(Br)ccc2Cl)cc1OCC ZINC000015966497 557468319 /nfs/dbraw/zinc/46/83/19/557468319.db2.gz WLFWXAIWNZODBG-LBPRGKRZSA-N 0 0 426.738 5.391 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223409807 557468351 /nfs/dbraw/zinc/46/83/51/557468351.db2.gz VGZYPJJCGHDJCQ-SFHVURJKSA-N 0 0 449.422 5.486 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223409067 557468356 /nfs/dbraw/zinc/46/83/56/557468356.db2.gz XEAAKSRUZDLMLG-VWLOTQADSA-N 0 0 434.967 5.445 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223409756 557468435 /nfs/dbraw/zinc/46/84/35/557468435.db2.gz VGZYPJJCGHDJCQ-GOSISDBHSA-N 0 0 449.422 5.486 40 0 IKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCCOC(C)C)c1ccccc1 ZINC000223415693 557469239 /nfs/dbraw/zinc/46/92/39/557469239.db2.gz QMHPMGMVRWZRMC-XMMPIXPASA-N 0 0 445.003 5.141 40 0 IKABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223418469 557469766 /nfs/dbraw/zinc/46/97/66/557469766.db2.gz TZIUUXXVDCZYKN-RUZDIDTESA-N 0 0 448.994 5.425 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2Nc2ccc(F)cc2)cc1 ZINC000223422721 557470523 /nfs/dbraw/zinc/47/05/23/557470523.db2.gz YDGKGQCULDUQOZ-UHFFFAOYSA-N 0 0 442.512 5.244 40 0 IKABRN CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223424289 557470818 /nfs/dbraw/zinc/47/08/18/557470818.db2.gz BGGOJHRNCQGLPF-RUZDIDTESA-N 0 0 434.967 5.179 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000223426369 557471028 /nfs/dbraw/zinc/47/10/28/557471028.db2.gz CJOSXTMCGIKGTA-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000223429382 557471260 /nfs/dbraw/zinc/47/12/60/557471260.db2.gz KMFZVCMTABYWIA-HOFKKMOUSA-N 0 0 442.603 5.092 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000223429999 557471296 /nfs/dbraw/zinc/47/12/96/557471296.db2.gz QGTQECSRXBSGOQ-JWQCQUIFSA-N 0 0 446.620 5.570 40 0 IKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1C ZINC000223437334 557472019 /nfs/dbraw/zinc/47/20/19/557472019.db2.gz XEEKCNNZLWZEEC-FQEVSTJZSA-N 0 0 436.577 5.212 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 ZINC000223438654 557472109 /nfs/dbraw/zinc/47/21/09/557472109.db2.gz PECOTFDCUBYKJE-JOCHJYFZSA-N 0 0 444.616 5.171 40 0 IKABRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)sc2c1 ZINC000016321443 557472267 /nfs/dbraw/zinc/47/22/67/557472267.db2.gz RUPNUOISINAZJN-UHFFFAOYSA-N 0 0 446.315 6.074 40 0 IKABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223443209 557472500 /nfs/dbraw/zinc/47/25/00/557472500.db2.gz OKXOBVHMPFGVKP-DQEYMECFSA-N 0 0 440.572 5.054 40 0 IKABRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)CCC(C)(C)Cl ZINC000016323340 557472510 /nfs/dbraw/zinc/47/25/10/557472510.db2.gz FSADBDPMKQVHPX-UHFFFAOYSA-N 0 0 431.945 5.114 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)cc1 ZINC000016323142 557472527 /nfs/dbraw/zinc/47/25/27/557472527.db2.gz YQGVSSSQCJQEQV-UHFFFAOYSA-N 0 0 441.358 6.796 40 0 IKABRN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl ZINC000016323146 557472547 /nfs/dbraw/zinc/47/25/47/557472547.db2.gz PGLUWDNENIXEEN-UHFFFAOYSA-N 0 0 436.939 6.151 40 0 IKABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223443012 557472567 /nfs/dbraw/zinc/47/25/67/557472567.db2.gz GJBMQVYOKDTOCH-RPBOFIJWSA-N 0 0 446.620 5.570 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C ZINC000223446675 557472800 /nfs/dbraw/zinc/47/28/00/557472800.db2.gz LHMFTUPJJOMYQG-QFIPXVFZSA-N 0 0 442.575 5.050 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000223452390 557473480 /nfs/dbraw/zinc/47/34/80/557473480.db2.gz NXNGJNKNWJCQTB-OAQYLSRUSA-N 0 0 449.422 5.648 40 0 IKABRN Clc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)c(Cl)c1 ZINC000016491962 557474300 /nfs/dbraw/zinc/47/43/00/557474300.db2.gz KYZIXAOBIDGHPU-UHFFFAOYSA-N 0 0 431.322 7.978 40 0 IKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1sc2ccccc2c1Cl ZINC000016525292 557474412 /nfs/dbraw/zinc/47/44/12/557474412.db2.gz XONTZGRIFBZGDH-UHFFFAOYSA-N 0 0 438.386 5.945 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000223462579 557474859 /nfs/dbraw/zinc/47/48/59/557474859.db2.gz ZVSFSOCMZRBUOE-GOSISDBHSA-N 0 0 434.502 5.253 40 0 IKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc21 ZINC000223465738 557475086 /nfs/dbraw/zinc/47/50/86/557475086.db2.gz QFYWGECKGHCMFX-NRFANRHFSA-N 0 0 446.591 5.115 40 0 IKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)cc1 ZINC000016692063 557475471 /nfs/dbraw/zinc/47/54/71/557475471.db2.gz CIHJHGDPZRDHRW-UHFFFAOYSA-N 0 0 435.480 5.159 40 0 IKABRN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1C ZINC000223470605 557475592 /nfs/dbraw/zinc/47/55/92/557475592.db2.gz NXQZFEKJOMZHPR-SFHVURJKSA-N 0 0 433.423 6.008 40 0 IKABRN Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000223470678 557475614 /nfs/dbraw/zinc/47/56/14/557475614.db2.gz HRSASTVGXYXBND-GOSISDBHSA-N 0 0 433.423 6.008 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1cccnc1 ZINC000223474783 557476330 /nfs/dbraw/zinc/47/63/30/557476330.db2.gz PHHHJGHGBZTPMZ-PKTZIBPZSA-N 0 0 446.963 5.563 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1cccnc1 ZINC000223473801 557476333 /nfs/dbraw/zinc/47/63/33/557476333.db2.gz BKDPVDVHSIUSTJ-XZOQPEGZSA-N 0 0 444.585 5.394 40 0 IKABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000223475541 557476540 /nfs/dbraw/zinc/47/65/40/557476540.db2.gz YUZFWPPRCIMRSA-NRFANRHFSA-N 0 0 444.641 5.338 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000017096586 557476821 /nfs/dbraw/zinc/47/68/21/557476821.db2.gz LKPDAUVRBALKMX-UHFFFAOYSA-N 0 0 429.545 5.855 40 0 IKABRN O=C(COc1cccc2ccccc21)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000017096681 557477102 /nfs/dbraw/zinc/47/71/02/557477102.db2.gz NHTAIIRGCBEBDG-UHFFFAOYSA-N 0 0 429.863 5.714 40 0 IKABRN CCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000017096609 557477149 /nfs/dbraw/zinc/47/71/49/557477149.db2.gz AXXMVYVEVBJNNU-UHFFFAOYSA-N 0 0 429.545 6.165 40 0 IKABRN COc1cc2c(cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1C)CCCC2 ZINC000223482659 557477513 /nfs/dbraw/zinc/47/75/13/557477513.db2.gz VDVFYKAPTCGPRH-SANMLTNESA-N 0 0 435.589 5.259 40 0 IKABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1OC)c1ccccc1 ZINC000223483394 557477525 /nfs/dbraw/zinc/47/75/25/557477525.db2.gz OPXRBFPNSCUMSR-AREMUKBSSA-N 0 0 448.538 5.021 40 0 IKABRN CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccc(F)cc2)Nc2ccccc2S3)cc1 ZINC000017096924 557477794 /nfs/dbraw/zinc/47/77/94/557477794.db2.gz NQTHHMOVWIUFCK-JOCHJYFZSA-N 0 0 430.504 5.475 40 0 IKABRN COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000017096848 557477924 /nfs/dbraw/zinc/47/79/24/557477924.db2.gz BENKWWJTMFREPL-UHFFFAOYSA-N 0 0 430.460 5.263 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000017097138 557478169 /nfs/dbraw/zinc/47/81/69/557478169.db2.gz JJZLTTVLHNPPAJ-KRWDZBQOSA-N 0 0 430.573 6.803 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223486474 557478147 /nfs/dbraw/zinc/47/81/47/557478147.db2.gz MYUJKHCNCPQMPR-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000017097216 557478331 /nfs/dbraw/zinc/47/83/31/557478331.db2.gz WBAKLRHQOHFRAE-UHFFFAOYSA-N 0 0 430.879 5.665 40 0 IKABRN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000017097221 557478336 /nfs/dbraw/zinc/47/83/36/557478336.db2.gz WJWAXMLGAUUWOD-UHFFFAOYSA-N 0 0 430.891 6.034 40 0 IKABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000017097204 557478362 /nfs/dbraw/zinc/47/83/62/557478362.db2.gz MKHBYSUTNRRXMV-UHFFFAOYSA-N 0 0 430.744 5.122 40 0 IKABRN O=C(COc1cccc2ccccc21)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000017097223 557478395 /nfs/dbraw/zinc/47/83/95/557478395.db2.gz BJQLTRHMHBKQQP-UHFFFAOYSA-N 0 0 430.891 5.763 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 ZINC000017097149 557478399 /nfs/dbraw/zinc/47/83/99/557478399.db2.gz XOFXYFMTUPFWMK-QGZVFWFLSA-N 0 0 430.573 6.803 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccncc1 ZINC000223489214 557478616 /nfs/dbraw/zinc/47/86/16/557478616.db2.gz GCBXQDIDRJONSN-XZOQPEGZSA-N 0 0 445.979 5.093 40 0 IKABRN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000017097379 557478786 /nfs/dbraw/zinc/47/87/86/557478786.db2.gz DIFJLINNTVPGBO-UHFFFAOYSA-N 0 0 431.319 6.634 40 0 IKABRN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc(OCc2ccccc2)c1 ZINC000017097392 557478805 /nfs/dbraw/zinc/47/88/05/557478805.db2.gz UDHHXBPQILPVHC-UHFFFAOYSA-N 0 0 431.344 5.699 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCC1 ZINC000223492892 557479123 /nfs/dbraw/zinc/47/91/23/557479123.db2.gz ICJJYYMFDYPCQE-RPWUZVMVSA-N 0 0 431.609 5.183 40 0 IKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1 ZINC000017097557 557479246 /nfs/dbraw/zinc/47/92/46/557479246.db2.gz JNYIYUSXQBXHEJ-UHFFFAOYSA-N 0 0 431.517 5.198 40 0 IKABRN CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223493747 557479250 /nfs/dbraw/zinc/47/92/50/557479250.db2.gz SKGDXBFZTBNCOK-MHZLTWQESA-N 0 0 446.566 5.301 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223495587 557479259 /nfs/dbraw/zinc/47/92/59/557479259.db2.gz USDDUVPKIKDHLU-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223493597 557479291 /nfs/dbraw/zinc/47/92/91/557479291.db2.gz PRQYBCZPPGDWKO-MHZLTWQESA-N 0 0 446.566 5.445 40 0 IKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccc(N4CCCC4=O)c3)c2)cc1 ZINC000223495889 557479594 /nfs/dbraw/zinc/47/95/94/557479594.db2.gz XDNSGJNLOAMNPE-UHFFFAOYSA-N 0 0 440.543 5.594 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3)sc2c1 ZINC000017097665 557479692 /nfs/dbraw/zinc/47/96/92/557479692.db2.gz PTNOXXPDJHEXOH-UHFFFAOYSA-N 0 0 431.586 6.015 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000017097789 557479928 /nfs/dbraw/zinc/47/99/28/557479928.db2.gz WJXKVAAIVQUDMT-UHFFFAOYSA-N 0 0 432.147 6.292 40 0 IKABRN COc1c(C(=O)Nc2ccc3c4c(cccc42)CC3)cc2ccccc2c1Br ZINC000017097809 557480039 /nfs/dbraw/zinc/48/00/39/557480039.db2.gz FTOABSKREQSLIO-UHFFFAOYSA-N 0 0 432.317 6.115 40 0 IKABRN Cc1ccnc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000017097821 557480045 /nfs/dbraw/zinc/48/00/45/557480045.db2.gz LNZPHZWYBBZGSH-HWKANZROSA-N 0 0 432.332 5.483 40 0 IKABRN Cc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)n1 ZINC000017097819 557480054 /nfs/dbraw/zinc/48/00/54/557480054.db2.gz GFEVUVUICWUBRF-PKNBQFBNSA-N 0 0 432.332 5.483 40 0 IKABRN COc1cc(NC(=O)COc2cccc3ccccc32)ccc1NC(=O)c1cccs1 ZINC000017097957 557480417 /nfs/dbraw/zinc/48/04/17/557480417.db2.gz XLCWSZHCSGWXFB-UHFFFAOYSA-N 0 0 432.501 5.180 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3o2)c(C)c1 ZINC000017097997 557480451 /nfs/dbraw/zinc/48/04/51/557480451.db2.gz MRDKMMDIWFOYNI-UHFFFAOYSA-N 0 0 432.523 6.882 40 0 IKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2)c1 ZINC000017098246 557480594 /nfs/dbraw/zinc/48/05/94/557480594.db2.gz XQYOJIDVCAMEKD-UHFFFAOYSA-N 0 0 432.932 7.232 40 0 IKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 ZINC000017098161 557480624 /nfs/dbraw/zinc/48/06/24/557480624.db2.gz FUULXZYRNXNQIR-IBGZPJMESA-N 0 0 432.589 5.917 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(F)cc3F)o2)cc1Cl ZINC000017098205 557480633 /nfs/dbraw/zinc/48/06/33/557480633.db2.gz GDXCZAONCDVXEX-RMKNXTFCSA-N 0 0 432.879 5.713 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1C ZINC000223510015 557480655 /nfs/dbraw/zinc/48/06/55/557480655.db2.gz DIZYHALUHNZOGB-RPBOFIJWSA-N 0 0 439.588 5.057 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1C ZINC000223509959 557480659 /nfs/dbraw/zinc/48/06/59/557480659.db2.gz DIZYHALUHNZOGB-JWQCQUIFSA-N 0 0 439.588 5.057 40 0 IKABRN Cc1cc(C)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 ZINC000017098343 557480735 /nfs/dbraw/zinc/48/07/35/557480735.db2.gz YADVCFIJDPEZLO-UHFFFAOYSA-N 0 0 433.360 6.305 40 0 IKABRN Cc1cc(C)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C)c1 ZINC000017098344 557480815 /nfs/dbraw/zinc/48/08/15/557480815.db2.gz WFSJXVORVSHFBZ-UHFFFAOYSA-N 0 0 433.360 6.305 40 0 IKABRN CC(C)(C)c1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000017098335 557480819 /nfs/dbraw/zinc/48/08/19/557480819.db2.gz ZGVYHVZETBQTFZ-UHFFFAOYSA-N 0 0 433.331 6.673 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223511350 557480913 /nfs/dbraw/zinc/48/09/13/557480913.db2.gz RWHURRRQPJYIOE-OAQYLSRUSA-N 0 0 446.591 5.115 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccncc1 ZINC000223511144 557480928 /nfs/dbraw/zinc/48/09/28/557480928.db2.gz NUPPNEKTQYMSAG-GOTSBHOMSA-N 0 0 444.585 5.394 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccncc1 ZINC000223511036 557480932 /nfs/dbraw/zinc/48/09/32/557480932.db2.gz NUPPNEKTQYMSAG-XZOQPEGZSA-N 0 0 444.585 5.394 40 0 IKABRN COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1C(C)C ZINC000223512569 557481122 /nfs/dbraw/zinc/48/11/22/557481122.db2.gz TXPCBJYTOVBEJQ-AREMUKBSSA-N 0 0 437.605 5.812 40 0 IKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000017098470 557481234 /nfs/dbraw/zinc/48/12/34/557481234.db2.gz GSNFTXLTTSKAGF-UHFFFAOYSA-N 0 0 433.527 5.434 40 0 IKABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc(C)c1 ZINC000017098544 557481424 /nfs/dbraw/zinc/48/14/24/557481424.db2.gz WFFJABYMIANLKZ-UHFFFAOYSA-N 0 0 433.558 5.407 40 0 IKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000017098584 557481458 /nfs/dbraw/zinc/48/14/58/557481458.db2.gz KVRWZNCEQAZUHO-QGZVFWFLSA-N 0 0 433.577 5.354 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000017098675 557481580 /nfs/dbraw/zinc/48/15/80/557481580.db2.gz CGWBZOHQQIJWCO-MRXNPFEDSA-N 0 0 433.939 6.414 40 0 IKABRN Cc1cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)ccc1Br ZINC000017098644 557481581 /nfs/dbraw/zinc/48/15/81/557481581.db2.gz DCSCKMRLZPNAAJ-UHFFFAOYSA-N 0 0 433.758 5.691 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 ZINC000017098672 557481620 /nfs/dbraw/zinc/48/16/20/557481620.db2.gz PEAPUGOFZDZEQC-MRXNPFEDSA-N 0 0 433.939 6.414 40 0 IKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)cc1Cl ZINC000017098640 557481624 /nfs/dbraw/zinc/48/16/24/557481624.db2.gz NNHBGOOGPGUNMS-UHFFFAOYSA-N 0 0 433.747 7.176 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc2c3c(cccc31)CC2 ZINC000017098747 557481861 /nfs/dbraw/zinc/48/18/61/557481861.db2.gz RNJHHMNHCXZWTI-UKTHLTGXSA-N 0 0 434.322 7.157 40 0 IKABRN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cccc2c(Cl)cccc12 ZINC000017098734 557481865 /nfs/dbraw/zinc/48/18/65/557481865.db2.gz DJFXKXWRIPTAPV-UHFFFAOYSA-N 0 0 434.282 6.602 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017099189 557482181 /nfs/dbraw/zinc/48/21/81/557482181.db2.gz JWYXWFNUIOQFOF-UHFFFAOYSA-N 0 0 434.628 7.178 40 0 IKABRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000017099102 557482249 /nfs/dbraw/zinc/48/22/49/557482249.db2.gz REWRINMDFDPNKC-UHFFFAOYSA-N 0 0 434.561 5.396 40 0 IKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017099190 557482255 /nfs/dbraw/zinc/48/22/55/557482255.db2.gz VSHVVAXLOAZLJR-UHFFFAOYSA-N 0 0 434.628 7.178 40 0 IKABRN O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccc(O)cc1)Nc1ccccc1S2 ZINC000017099238 557482355 /nfs/dbraw/zinc/48/23/55/557482355.db2.gz ITFCLETXCQQVRB-HXUWFJFHSA-N 0 0 434.904 5.132 40 0 IKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccn1 ZINC000223528140 557482393 /nfs/dbraw/zinc/48/23/93/557482393.db2.gz OTZURBRWYFQZSN-DHIUTWEWSA-N 0 0 445.979 5.093 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1Cl ZINC000017099331 557482575 /nfs/dbraw/zinc/48/25/75/557482575.db2.gz LPLUSYGDVNIZMD-UHFFFAOYSA-N 0 0 434.952 5.627 40 0 IKABRN CC1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2Cl)CC1 ZINC000017099337 557482583 /nfs/dbraw/zinc/48/25/83/557482583.db2.gz CUCQQTKTQCCPLS-UHFFFAOYSA-N 0 0 434.967 6.408 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000017099292 557482615 /nfs/dbraw/zinc/48/26/15/557482615.db2.gz GXSNIRGXMCENLA-MRXNPFEDSA-N 0 0 434.927 5.605 40 0 IKABRN CCc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1 ZINC000017099300 557482620 /nfs/dbraw/zinc/48/26/20/557482620.db2.gz UXKPQPJNDAGJDY-UHFFFAOYSA-N 0 0 434.927 5.432 40 0 IKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c(Cl)c1 ZINC000017099332 557482646 /nfs/dbraw/zinc/48/26/46/557482646.db2.gz RLDNOZPCQSROOR-UHFFFAOYSA-N 0 0 434.952 5.627 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCC[C@@H]4C)cc3)o2)cc1Cl ZINC000017099341 557482868 /nfs/dbraw/zinc/48/28/68/557482868.db2.gz ALRSFAWPONPRLK-LLLGYDHXSA-N 0 0 434.967 6.939 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCC1 ZINC000223532579 557482937 /nfs/dbraw/zinc/48/29/37/557482937.db2.gz LQNKQGVAASRQPD-ZEQRLZLVSA-N 0 0 431.609 5.183 40 0 IKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000017099499 557483035 /nfs/dbraw/zinc/48/30/35/557483035.db2.gz NFHHEXUQBRKGCV-UHFFFAOYSA-N 0 0 435.480 5.078 40 0 IKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(F)cc1 ZINC000017099402 557483052 /nfs/dbraw/zinc/48/30/52/557483052.db2.gz HWLZEZCWUNVMNO-SOFGYWHQSA-N 0 0 435.307 5.919 40 0 IKABRN CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000017099427 557483105 /nfs/dbraw/zinc/48/31/05/557483105.db2.gz YLXXDLVIQXTGIF-UHFFFAOYSA-N 0 0 435.332 5.648 40 0 IKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3O)oc2c(C)c1 ZINC000017099497 557483110 /nfs/dbraw/zinc/48/31/10/557483110.db2.gz RTYFDCFLVYEXFY-UHFFFAOYSA-N 0 0 435.480 5.083 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000223540256 557483216 /nfs/dbraw/zinc/48/32/16/557483216.db2.gz MUTZJVYHKIVROI-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 ZINC000017099771 557483484 /nfs/dbraw/zinc/48/34/84/557483484.db2.gz MTQRCEJWJKQNSR-HNNXBMFYSA-N 0 0 435.911 6.074 40 0 IKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)c1 ZINC000017099822 557483495 /nfs/dbraw/zinc/48/34/95/557483495.db2.gz YITPPDDWNRWNIH-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 ZINC000017099769 557483502 /nfs/dbraw/zinc/48/35/02/557483502.db2.gz MTQRCEJWJKQNSR-OAHLLOKOSA-N 0 0 435.911 6.074 40 0 IKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000017099711 557483504 /nfs/dbraw/zinc/48/35/04/557483504.db2.gz VUEALSYMIBNWDQ-RUDMXATFSA-N 0 0 435.749 5.363 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000223544025 557483709 /nfs/dbraw/zinc/48/37/09/557483709.db2.gz LFSXGKJCSKYOGZ-NRFANRHFSA-N 0 0 449.422 5.648 40 0 IKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(CSc2ccccc2)cc1 ZINC000223544831 557483751 /nfs/dbraw/zinc/48/37/51/557483751.db2.gz DTTWUMYKPIZQIQ-UHFFFAOYSA-N 0 0 431.985 6.643 40 0 IKABRN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3)oc2c1 ZINC000017099837 557483701 /nfs/dbraw/zinc/48/37/01/557483701.db2.gz ROWFRJLDNMLLSD-UHFFFAOYSA-N 0 0 435.936 5.892 40 0 IKABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223549310 557484430 /nfs/dbraw/zinc/48/44/30/557484430.db2.gz ILTPIFSSFJPZQA-HHHXNRCGSA-N 0 0 448.607 5.572 40 0 IKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C(N)=O)C1 ZINC000017094341 557484449 /nfs/dbraw/zinc/48/44/49/557484449.db2.gz RBEUSPLPBQFHNE-NSHDSACASA-N 0 0 425.381 5.557 40 0 IKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000017094595 557484638 /nfs/dbraw/zinc/48/46/38/557484638.db2.gz BHLQZLHLDGKRKS-SELVFMLMSA-N 0 0 425.642 5.485 40 0 IKABRN CCCC[C@H](CC)CNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000223550613 557484635 /nfs/dbraw/zinc/48/46/35/557484635.db2.gz GIPIRUCKRXRUIY-QFIPXVFZSA-N 0 0 444.641 5.140 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1C ZINC000223549753 557484662 /nfs/dbraw/zinc/48/46/62/557484662.db2.gz ARHYMFFZYJUQBK-JWQCQUIFSA-N 0 0 439.588 5.057 40 0 IKABRN CCOc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl ZINC000017094602 557484692 /nfs/dbraw/zinc/48/46/92/557484692.db2.gz ZKACDKXCTFVIFI-UHFFFAOYSA-N 0 0 425.695 6.663 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000017094594 557484696 /nfs/dbraw/zinc/48/46/96/557484696.db2.gz BHLQZLHLDGKRKS-KNEUKCCGSA-N 0 0 425.642 5.485 40 0 IKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccn1 ZINC000223552131 557485035 /nfs/dbraw/zinc/48/50/35/557485035.db2.gz GWNJLCIYBCKSNJ-GOTSBHOMSA-N 0 0 446.963 5.563 40 0 IKABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCCC2=CCCCC2)c2ccccc2)cc1 ZINC000223553865 557485185 /nfs/dbraw/zinc/48/51/85/557485185.db2.gz CTKNCNPNJKEMPJ-AREMUKBSSA-N 0 0 448.607 5.428 40 0 IKABRN Cc1ccc(C)c2sc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)nc21 ZINC000017094887 557485287 /nfs/dbraw/zinc/48/52/87/557485287.db2.gz YFJNMXXHOYBYOC-UHFFFAOYSA-N 0 0 426.497 5.939 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2ccc(C)c(C)c2)cc1 ZINC000223555019 557485412 /nfs/dbraw/zinc/48/54/12/557485412.db2.gz NRNQBDQPDUZQRO-UHFFFAOYSA-N 0 0 444.641 5.138 40 0 IKABRN Cc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21Nc2ccccc2S1 ZINC000017095084 557485423 /nfs/dbraw/zinc/48/54/23/557485423.db2.gz POMSHNKGWLIECI-SVBPBHIXSA-N 0 0 426.585 6.201 40 0 IKABRN C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2C(N)=O)C1 ZINC000017095077 557485519 /nfs/dbraw/zinc/48/55/19/557485519.db2.gz ARXZJDFURXKEGI-OAHLLOKOSA-N 0 0 426.582 5.037 40 0 IKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C(N)=O)CCC4)o2)cc1Cl ZINC000017095208 557485646 /nfs/dbraw/zinc/48/56/46/557485646.db2.gz CHGWXPWTLBHDFU-CSKARUKUSA-N 0 0 426.925 5.209 40 0 IKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000017095216 557485660 /nfs/dbraw/zinc/48/56/60/557485660.db2.gz BPTFGJKIJCBSHM-CQSZACIVSA-N 0 0 426.969 6.549 40 0 IKABRN CCc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1 ZINC000017095179 557485704 /nfs/dbraw/zinc/48/57/04/557485704.db2.gz GSLZOWLJDOERCC-UHFFFAOYSA-N 0 0 426.903 7.116 40 0 IKABRN CCc1ccccc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000223557373 557485727 /nfs/dbraw/zinc/48/57/27/557485727.db2.gz RWDBXGFBACTZQA-UHFFFAOYSA-N 0 0 444.641 5.084 40 0 IKABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000223557378 557485773 /nfs/dbraw/zinc/48/57/73/557485773.db2.gz MGRCSAOALFCUOT-JOCHJYFZSA-N 0 0 430.592 5.149 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1C ZINC000017095176 557485737 /nfs/dbraw/zinc/48/57/37/557485737.db2.gz YGEZLMMHWMDPMX-UHFFFAOYSA-N 0 0 426.903 7.171 40 0 IKABRN O=C(NC(=S)Nc1ccc(F)cc1F)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017095254 557485880 /nfs/dbraw/zinc/48/58/80/557485880.db2.gz ZIBWCWSIWNGFJO-UHFFFAOYSA-N 0 0 427.259 5.658 40 0 IKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000017095281 557485888 /nfs/dbraw/zinc/48/58/88/557485888.db2.gz OCLOJSLNHQLVCR-UHFFFAOYSA-N 0 0 427.287 6.371 40 0 IKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000017095268 557485925 /nfs/dbraw/zinc/48/59/25/557485925.db2.gz NLMHAVUDVAPXNX-UHFFFAOYSA-N 0 0 427.287 6.371 40 0 IKABRN O=C(NCCOc1cccc2ccccc21)c1cccc(OCc2ccccc2Cl)c1 ZINC000223559577 557486013 /nfs/dbraw/zinc/48/60/13/557486013.db2.gz QRAZNHUJHGMYMU-UHFFFAOYSA-N 0 0 431.919 5.881 40 0 IKABRN CCc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000017095327 557486159 /nfs/dbraw/zinc/48/61/59/557486159.db2.gz WAVWSJIVEODJDT-UHFFFAOYSA-N 0 0 427.356 7.085 40 0 IKABRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000017095322 557486180 /nfs/dbraw/zinc/48/61/80/557486180.db2.gz XUVGCLXDTZFPRW-SNVBAGLBSA-N 0 0 427.353 5.348 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000223561723 557486251 /nfs/dbraw/zinc/48/62/51/557486251.db2.gz FBDCWEFRTNHZLE-UHFFFAOYSA-N 0 0 442.625 5.010 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc(Cl)c2Cl)c1Cl ZINC000017095498 557486322 /nfs/dbraw/zinc/48/63/22/557486322.db2.gz DXPNNEDPMUKNQE-UHFFFAOYSA-N 0 0 427.542 6.588 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000223563258 557486415 /nfs/dbraw/zinc/48/64/15/557486415.db2.gz KGCGLRSIIIFIES-JOCHJYFZSA-N 0 0 447.044 5.297 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223562616 557486443 /nfs/dbraw/zinc/48/64/43/557486443.db2.gz SDAMEXABCHEKMZ-NRFANRHFSA-N 0 0 433.017 5.156 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223563522 557486496 /nfs/dbraw/zinc/48/64/96/557486496.db2.gz CBHRNXUIPQYRPE-JOCHJYFZSA-N 0 0 447.044 5.297 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000017095618 557486493 /nfs/dbraw/zinc/48/64/93/557486493.db2.gz AHLRTPOVDHIXDB-UHFFFAOYSA-N 0 0 427.759 6.144 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000017095827 557486906 /nfs/dbraw/zinc/48/69/06/557486906.db2.gz QOQRGZOEGIIQAJ-QGZVFWFLSA-N 0 0 428.488 5.018 40 0 IKABRN CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 ZINC000017095695 557486916 /nfs/dbraw/zinc/48/69/16/557486916.db2.gz XXILJWNJGZVTBQ-UHFFFAOYSA-N 0 0 428.282 5.040 40 0 IKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(OCc2ccccc2)cc1 ZINC000017095883 557487029 /nfs/dbraw/zinc/48/70/29/557487029.db2.gz DDCOYEMSOQVPJX-UHFFFAOYSA-N 0 0 428.513 5.251 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000017095924 557487041 /nfs/dbraw/zinc/48/70/41/557487041.db2.gz LDSFVSLTCNWWMZ-SFHVURJKSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 ZINC000017095938 557487368 /nfs/dbraw/zinc/48/73/68/557487368.db2.gz AGDXCDACWLMBDR-SFHVURJKSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 ZINC000017095941 557487384 /nfs/dbraw/zinc/48/73/84/557487384.db2.gz QNZAQWXWKPEAGI-GOSISDBHSA-N 0 0 428.532 6.643 40 0 IKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 ZINC000017095939 557487405 /nfs/dbraw/zinc/48/74/05/557487405.db2.gz JJHJXZMGHFDCJI-QGZVFWFLSA-N 0 0 428.532 6.643 40 0 IKABRN Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c(C)c1 ZINC000017096000 557487710 /nfs/dbraw/zinc/48/77/10/557487710.db2.gz CPYGABMFKHJSLI-UHFFFAOYSA-N 0 0 428.536 5.487 40 0 IKABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc2ccccc21 ZINC000017096353 557488311 /nfs/dbraw/zinc/48/83/11/557488311.db2.gz ZAGBNKZMQVUBRK-UHFFFAOYSA-N 0 0 429.339 5.046 40 0 IKABRN CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000017096321 557488321 /nfs/dbraw/zinc/48/83/21/557488321.db2.gz ODWZPJVZOMRICJ-CSKARUKUSA-N 0 0 429.303 6.254 40 0 IKABRN O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000017096350 557488331 /nfs/dbraw/zinc/48/83/31/557488331.db2.gz KWVXNEKJYAAUTB-UHFFFAOYSA-N 0 0 429.328 6.288 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1Cl ZINC000017096336 557488338 /nfs/dbraw/zinc/48/83/38/557488338.db2.gz LZYIAWUBBUJGPJ-UHFFFAOYSA-N 0 0 429.328 6.531 40 0 IKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000017096319 557488358 /nfs/dbraw/zinc/48/83/58/557488358.db2.gz VOMKXIXICUYINZ-UHFFFAOYSA-N 0 0 429.303 5.815 40 0 IKABRN COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c(F)c1F ZINC000017096384 557488553 /nfs/dbraw/zinc/48/85/53/557488553.db2.gz ILTAATQGVHQKAJ-UHFFFAOYSA-N 0 0 429.373 5.356 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000017096374 557488581 /nfs/dbraw/zinc/48/85/81/557488581.db2.gz IMAXROXTZIPQDD-OAHLLOKOSA-N 0 0 429.347 6.885 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000017096372 557488593 /nfs/dbraw/zinc/48/85/93/557488593.db2.gz WQMINZFXHHKQAS-OAHLLOKOSA-N 0 0 429.347 6.885 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc5ccccc54)cc3n2)cc1 ZINC000017100297 557488800 /nfs/dbraw/zinc/48/88/00/557488800.db2.gz LCDDEOYQDOWTKH-UHFFFAOYSA-N 0 0 436.515 5.462 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)cc1 ZINC000223583645 557488885 /nfs/dbraw/zinc/48/88/85/557488885.db2.gz MRLDHSBNZYBIMY-UHFFFAOYSA-N 0 0 427.569 6.249 40 0 IKABRN O=C1C[C@H](c2ccccc2)Cc2c1c(Nc1ccccc1)nn2-c1nc2ccccc2s1 ZINC000017100488 557489061 /nfs/dbraw/zinc/48/90/61/557489061.db2.gz GPZOKMIUBNTXJU-GOSISDBHSA-N 0 0 436.540 6.138 40 0 IKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000223585212 557489141 /nfs/dbraw/zinc/48/91/41/557489141.db2.gz JJBJDMITYKCJAB-OAQYLSRUSA-N 0 0 449.422 5.566 40 0 IKABRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000017100494 557489138 /nfs/dbraw/zinc/48/91/38/557489138.db2.gz HLXCTBVIXMYDFE-UHFFFAOYSA-N 0 0 436.540 5.818 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223585285 557489192 /nfs/dbraw/zinc/48/91/92/557489192.db2.gz GJQLVSSWTLKQHQ-NRFANRHFSA-N 0 0 449.422 5.566 40 0 IKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 ZINC000017100831 557489322 /nfs/dbraw/zinc/48/93/22/557489322.db2.gz OGDSTCOQMBEOOD-UHFFFAOYSA-N 0 0 436.895 5.980 40 0 IKABRN COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000017100649 557489324 /nfs/dbraw/zinc/48/93/24/557489324.db2.gz PTAKSNSSISXGPC-UHFFFAOYSA-N 0 0 436.577 5.221 40 0 IKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3cccc4ccccc43)c2C(N)=O)C1 ZINC000017100645 557489349 /nfs/dbraw/zinc/48/93/49/557489349.db2.gz AEUIOMIFLBHSBH-INIZCTEOSA-N 0 0 436.577 5.169 40 0 IKABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 ZINC000017100894 557489562 /nfs/dbraw/zinc/48/95/62/557489562.db2.gz ONDBLNYLNANBBQ-UHFFFAOYSA-N 0 0 436.924 5.019 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000017100916 557489575 /nfs/dbraw/zinc/48/95/75/557489575.db2.gz KGUJJHRXQHOZHT-KRWDZBQOSA-N 0 0 436.939 6.123 40 0 IKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000017100963 557489583 /nfs/dbraw/zinc/48/95/83/557489583.db2.gz FXVWPXKNRIDFEM-UHFFFAOYSA-N 0 0 436.964 6.758 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000017100908 557489587 /nfs/dbraw/zinc/48/95/87/557489587.db2.gz TZDSMCPEMAYAQA-KRWDZBQOSA-N 0 0 436.939 6.123 40 0 IKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)cc1 ZINC000017100980 557489653 /nfs/dbraw/zinc/48/96/53/557489653.db2.gz NLAVSHKNVGWKSZ-UHFFFAOYSA-N 0 0 436.964 6.091 40 0 IKABRN CC(C)COc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000017100995 557489658 /nfs/dbraw/zinc/48/96/58/557489658.db2.gz IXWVOHWQXWTCHO-UHFFFAOYSA-N 0 0 436.964 6.904 40 0 IKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C)c(I)cc2C)cc1 ZINC000017101151 557490156 /nfs/dbraw/zinc/49/01/56/557490156.db2.gz CTNFABGXTNTZMT-ZDUSSCGKSA-N 0 0 437.321 5.439 40 0 IKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000017101519 557490328 /nfs/dbraw/zinc/49/03/28/557490328.db2.gz VKFUIKKHGJCYLO-AREMUKBSSA-N 0 0 437.543 6.149 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc(Br)c2)c1Cl ZINC000017101559 557490342 /nfs/dbraw/zinc/49/03/42/557490342.db2.gz CYYMFQCZJFHMTP-UHFFFAOYSA-N 0 0 437.548 6.044 40 0 IKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Br)cc2)c1Cl ZINC000017101557 557490349 /nfs/dbraw/zinc/49/03/49/557490349.db2.gz LAALBEHQAPYUAT-UHFFFAOYSA-N 0 0 437.548 6.044 40 0 IKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000017101712 557490515 /nfs/dbraw/zinc/49/05/15/557490515.db2.gz DQFPJCPYATUDBN-UHFFFAOYSA-N 0 0 437.765 5.600 40 0 IKABRN COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1Br ZINC000017101714 557490530 /nfs/dbraw/zinc/49/05/30/557490530.db2.gz BOKRGFPFJMLWRT-UHFFFAOYSA-N 0 0 437.765 5.600 40 0 IKABRN Cc1cc2sc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)nc2cc1Cl ZINC000017101695 557490564 /nfs/dbraw/zinc/49/05/64/557490564.db2.gz HBWOAXUZUYXYAS-UHFFFAOYSA-N 0 0 437.735 7.077 40 0 IKABRN Cc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc2cc1Cl ZINC000017101693 557490588 /nfs/dbraw/zinc/49/05/88/557490588.db2.gz AXLCUISRPSPGIF-UHFFFAOYSA-N 0 0 437.735 7.077 40 0 IKABRN Cc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)nc2cc1Cl ZINC000017101696 557490657 /nfs/dbraw/zinc/49/06/57/557490657.db2.gz MQABRVJXYUWGGE-UHFFFAOYSA-N 0 0 437.735 7.077 40 0 IKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Br)cn1 ZINC000017101861 557490764 /nfs/dbraw/zinc/49/07/64/557490764.db2.gz VLRSWIZSACEYPB-XBXARRHUSA-N 0 0 438.108 6.063 40 0 IKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000017101835 557490786 /nfs/dbraw/zinc/49/07/86/557490786.db2.gz DZMVMQNOXKAKAH-UHFFFAOYSA-N 0 0 437.977 6.052 40 0 IKABRN O=C(NC(=S)Nc1nc2c(cccc2Cl)s1)C(c1ccccc1)c1ccccc1 ZINC000017101828 557490794 /nfs/dbraw/zinc/49/07/94/557490794.db2.gz TWILRUGFIZLAKA-UHFFFAOYSA-N 0 0 437.977 5.595 40 0 IKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000017102271 557491004 /nfs/dbraw/zinc/49/10/04/557491004.db2.gz NHXROLPNUDZSCQ-UHFFFAOYSA-N 0 0 438.512 5.478 40 0 IKABRN CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1 ZINC000017102816 557491503 /nfs/dbraw/zinc/49/15/03/557491503.db2.gz DNKIYRQUWIAVKE-UHFFFAOYSA-N 0 0 438.911 5.642 40 0 IKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000017102788 557491506 /nfs/dbraw/zinc/49/15/06/557491506.db2.gz RIZIJAHHQDXXCO-UHFFFAOYSA-N 0 0 438.890 5.318 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc4oc(=O)ccc4c3)o2)cc1Cl ZINC000017102790 557491546 /nfs/dbraw/zinc/49/15/46/557491546.db2.gz UKFQGDGZVBGMLN-UHFFFAOYSA-N 0 0 438.892 5.142 40 0 IKABRN COc1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1NC(=O)c1ccccc1Cl ZINC000017102814 557491601 /nfs/dbraw/zinc/49/16/01/557491601.db2.gz VNCWNMCJNMZRMD-UHFFFAOYSA-N 0 0 438.911 5.235 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000223610846 557491617 /nfs/dbraw/zinc/49/16/17/557491617.db2.gz IKCAMOZXLVRQGE-HSZRJFAPSA-N 0 0 426.626 5.201 40 0 IKABRN CCc1ccccc1NC(=O)/C=C/c1cc(Br)cc(Br)c1OC ZINC000017103020 557491786 /nfs/dbraw/zinc/49/17/86/557491786.db2.gz BUSAINHAKLYPGZ-CMDGGOBGSA-N 0 0 439.147 5.435 40 0 IKABRN CCc1ccc(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)cc1 ZINC000017103018 557491804 /nfs/dbraw/zinc/49/18/04/557491804.db2.gz HVHNLCBYJYSJLR-RMKNXTFCSA-N 0 0 439.147 5.435 40 0 IKABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc(C)c1C ZINC000017103015 557491811 /nfs/dbraw/zinc/49/18/11/557491811.db2.gz LZZZIUIQUAOPRB-BQYQJAHWSA-N 0 0 439.147 5.489 40 0 IKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000017103187 557491925 /nfs/dbraw/zinc/49/19/25/557491925.db2.gz UZAZUCJNRQUDPT-MRXNPFEDSA-N 0 0 439.353 6.340 40 0 IKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000017103144 557491937 /nfs/dbraw/zinc/49/19/37/557491937.db2.gz BUPYJIUVVASFSH-CQSZACIVSA-N 0 0 439.342 7.567 40 0 IKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000017103186 557491975 /nfs/dbraw/zinc/49/19/75/557491975.db2.gz IBTSCVNVJJEAED-UHFFFAOYSA-N 0 0 439.353 5.854 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5OC(C)(C)O[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118917417 557493005 /nfs/dbraw/zinc/49/30/05/557493005.db2.gz UHBMRCJLSUUKRV-HCERWSKXSA-N 0 0 432.601 5.050 40 0 IKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](C)[C@@]5(O)C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000118913590 557493482 /nfs/dbraw/zinc/49/34/82/557493482.db2.gz KEOLCBLQBIWDBI-HKFBTRRFSA-N 0 0 446.672 5.155 40 0 IKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118912508 557493491 /nfs/dbraw/zinc/49/34/91/557493491.db2.gz VGSSUFQMXBFFTM-GTQUWJOWSA-N 0 0 448.732 6.190 40 0 IKABRN COC1(OC)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118931353 557493769 /nfs/dbraw/zinc/49/37/69/557493769.db2.gz GAQBBTSXSYYOIK-GPCCTGQVSA-N 0 0 432.733 8.097 40 0 IKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCCO)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118931682 557493804 /nfs/dbraw/zinc/49/38/04/557493804.db2.gz NPYXBHZQVNRAOF-ZLPMDMCDSA-N 0 0 430.717 7.405 40 0 IKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118932460 557493996 /nfs/dbraw/zinc/49/39/96/557493996.db2.gz QRSNTERZEKNKIZ-UCFCOILNSA-N 0 0 444.700 6.930 40 0 IKABRN CCC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118933542 557494056 /nfs/dbraw/zinc/49/40/56/557494056.db2.gz QHOMXCCLTQDVMP-WTHLBDDQSA-N 0 0 428.657 6.893 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)OC5CCCCC5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118933544 557494094 /nfs/dbraw/zinc/49/40/94/557494094.db2.gz PSZQIJKWYLUAAC-HAUQEPAVSA-N 0 0 442.640 6.373 40 0 IKABRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccccc3)[C@]12C ZINC000118924342 557494478 /nfs/dbraw/zinc/49/44/78/557494478.db2.gz ISNRJHYMWLUQIR-ZLYBWVRESA-N 0 0 436.592 5.639 40 0 IKABRN CCC1(CC)C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000118927827 557494983 /nfs/dbraw/zinc/49/49/83/557494983.db2.gz NYYBWRGTXVHQCX-FPOVNDJCSA-N 0 0 440.756 9.013 40 0 IKABRN CCCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118928217 557495219 /nfs/dbraw/zinc/49/52/19/557495219.db2.gz BBQNHGBERIULCP-AGBLQDLRSA-N 0 0 428.745 8.823 40 0 IKABRN Cc1ccc2nc(-c3ccc(NC(=O)CSCc4ccc(Cl)cc4)cc3)sc2c1 ZINC000018051294 557495938 /nfs/dbraw/zinc/49/59/38/557495938.db2.gz JVSYAQKFTODLNJ-UHFFFAOYSA-N 0 0 439.005 6.797 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 ZINC000223643911 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LEJIOLPLGKNLKU-OAQYLSRUSA-N 0 0 444.575 5.003 40 0 IKABRN Cc1cccc(C)c1NC(=O)Cn1c(=O)c2c(nc1-c1ccccc1)sc1c2CCCC1 ZINC000019996423 557512533 /nfs/dbraw/zinc/51/25/33/557512533.db2.gz VJJKTPBNJGICHJ-UHFFFAOYSA-N 0 0 443.572 5.259 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(CC)cc1 ZINC000223782846 557512628 /nfs/dbraw/zinc/51/26/28/557512628.db2.gz QEZXAAJWDVYSMQ-HSZRJFAPSA-N 0 0 445.003 5.005 40 0 IKABRN O=C(Nc1ccccc1Br)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000147218267 557513074 /nfs/dbraw/zinc/51/30/74/557513074.db2.gz AONSAGKKGUEPDM-UHFFFAOYSA-N 0 0 432.770 6.647 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000223792604 557514106 /nfs/dbraw/zinc/51/41/06/557514106.db2.gz VIRZWZSWSPWTRU-DNQXCXABSA-N 0 0 432.593 5.574 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000223792454 557514136 /nfs/dbraw/zinc/51/41/36/557514136.db2.gz VIRZWZSWSPWTRU-ZEQRLZLVSA-N 0 0 432.593 5.574 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223793406 557514321 /nfs/dbraw/zinc/51/43/21/557514321.db2.gz QNAFOVMLHUGTHA-NRFANRHFSA-N 0 0 435.395 5.260 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223793680 557514384 /nfs/dbraw/zinc/51/43/84/557514384.db2.gz FRCQHPDTTJWCHY-RPWUZVMVSA-N 0 0 434.609 5.657 40 0 IKABRN CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000020098721 557515224 /nfs/dbraw/zinc/51/52/24/557515224.db2.gz LUVZBTBHTFNBHG-XMMPIXPASA-N 0 0 447.533 5.498 40 0 IKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223804937 557515264 /nfs/dbraw/zinc/51/52/64/557515264.db2.gz RSVJDDFBTWDGAA-JOCHJYFZSA-N 0 0 448.651 5.701 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223806229 557515283 /nfs/dbraw/zinc/51/52/83/557515283.db2.gz VSRYCIDZONBYOV-HSZRJFAPSA-N 0 0 429.004 5.305 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223806204 557515290 /nfs/dbraw/zinc/51/52/90/557515290.db2.gz VLVBSJNISSYTSL-OAQYLSRUSA-N 0 0 435.395 5.260 40 0 IKABRN Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223807318 557515703 /nfs/dbraw/zinc/51/57/03/557515703.db2.gz VUVJNUZCMUGMDH-KRWDZBQOSA-N 0 0 447.406 5.320 40 0 IKABRN Cc1ccc(CSCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807873 557515714 /nfs/dbraw/zinc/51/57/14/557515714.db2.gz RMDHUHJUFFPZLT-NRFANRHFSA-N 0 0 438.637 5.013 40 0 IKABRN Cc1ccc(CN(C(=O)CCSc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808117 557515741 /nfs/dbraw/zinc/51/57/41/557515741.db2.gz GTXPPZALEMSJSB-NRFANRHFSA-N 0 0 438.637 5.262 40 0 IKABRN Cc1ccc(CN(C(=O)CCSc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808124 557515745 /nfs/dbraw/zinc/51/57/45/557515745.db2.gz GTXPPZALEMSJSB-OAQYLSRUSA-N 0 0 438.637 5.262 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000223808175 557515750 /nfs/dbraw/zinc/51/57/50/557515750.db2.gz XXCDUSLZXHBKPQ-JOCHJYFZSA-N 0 0 449.422 5.650 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000223809015 557515917 /nfs/dbraw/zinc/51/59/17/557515917.db2.gz CHOQVKUQPWGREP-OAQYLSRUSA-N 0 0 435.395 5.260 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C ZINC000223808933 557515931 /nfs/dbraw/zinc/51/59/31/557515931.db2.gz TZJGAEPKBYYABK-QFIPXVFZSA-N 0 0 445.003 5.059 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223809199 557515984 /nfs/dbraw/zinc/51/59/84/557515984.db2.gz FYYFCNKOMGPKKG-QHCPKHFHSA-N 0 0 429.004 5.223 40 0 IKABRN Cc1ccc(CN(C(=O)CCSCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223812451 557516214 /nfs/dbraw/zinc/51/62/14/557516214.db2.gz DLABRHUQMJGRJY-NRFANRHFSA-N 0 0 438.637 5.094 40 0 IKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813008 557516483 /nfs/dbraw/zinc/51/64/83/557516483.db2.gz DMWGPQFDVHLAED-QFIPXVFZSA-N 0 0 434.624 5.527 40 0 IKABRN Cc1ccc(CN(C(=O)CCc2cccc3ccccc32)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813610 557516493 /nfs/dbraw/zinc/51/64/93/557516493.db2.gz ILFWMMRULSBDKF-QFIPXVFZSA-N 0 0 442.603 5.557 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 ZINC000223814922 557516689 /nfs/dbraw/zinc/51/66/89/557516689.db2.gz VLDUYTIKZJWRKU-GOSISDBHSA-N 0 0 445.028 5.298 40 0 IKABRN Cc1ccc(SCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814669 557516720 /nfs/dbraw/zinc/51/67/20/557516720.db2.gz MECIDRHVQSYRSB-GOSISDBHSA-N 0 0 445.028 5.217 40 0 IKABRN COc1ccc(/C=C2\C[C@@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@@H]2OC(C)=O)cc1 ZINC000036612190 557516786 /nfs/dbraw/zinc/51/67/86/557516786.db2.gz JPPVXERJZNMYHM-SWCCCDNZSA-N 0 0 446.587 6.185 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl ZINC000223816804 557516915 /nfs/dbraw/zinc/51/69/15/557516915.db2.gz FLUQSHWTIKRZPK-JOCHJYFZSA-N 0 0 432.967 5.135 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C ZINC000223817676 557516938 /nfs/dbraw/zinc/51/69/38/557516938.db2.gz UMRBTHOXAAJKSL-QHCPKHFHSA-N 0 0 442.575 5.052 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223817321 557516950 /nfs/dbraw/zinc/51/69/50/557516950.db2.gz FAZHSDYRFBQRGR-SANMLTNESA-N 0 0 448.582 5.635 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl ZINC000223816822 557517001 /nfs/dbraw/zinc/51/70/01/557517001.db2.gz FLUQSHWTIKRZPK-QFIPXVFZSA-N 0 0 432.967 5.135 40 0 IKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223818381 557517165 /nfs/dbraw/zinc/51/71/65/557517165.db2.gz ZBLSUAUZUYLGPU-OAQYLSRUSA-N 0 0 435.395 5.260 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000223825741 557517705 /nfs/dbraw/zinc/51/77/05/557517705.db2.gz SACWAHZQQXPXCP-JWQCQUIFSA-N 0 0 446.620 5.964 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000223825887 557517709 /nfs/dbraw/zinc/51/77/09/557517709.db2.gz CATOOWRQMFEEOY-RPBOFIJWSA-N 0 0 440.572 5.448 40 0 IKABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1Cl ZINC000223828717 557518189 /nfs/dbraw/zinc/51/81/89/557518189.db2.gz RNXWBISAYILXKA-UHFFFAOYSA-N 0 0 447.965 5.220 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223832089 557518446 /nfs/dbraw/zinc/51/84/46/557518446.db2.gz KZANTELMEHQXDR-RPBOFIJWSA-N 0 0 441.556 5.917 40 0 IKABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(C(C)C)cc2)cc1 ZINC000020235323 557518540 /nfs/dbraw/zinc/51/85/40/557518540.db2.gz XYBSVYFQCKCBFZ-UHFFFAOYSA-N 0 0 444.641 5.111 40 0 IKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223838217 557519071 /nfs/dbraw/zinc/51/90/71/557519071.db2.gz TXPZWHJDHDZSKB-DQEYMECFSA-N 0 0 446.620 5.964 40 0 IKABRN Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 ZINC000223841336 557519626 /nfs/dbraw/zinc/51/96/26/557519626.db2.gz JSNNFHGITLYIAX-SFHVURJKSA-N 0 0 439.602 5.182 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1Cl ZINC000020411010 557519788 /nfs/dbraw/zinc/51/97/88/557519788.db2.gz AGYWXMXTEQTWJB-UHFFFAOYSA-N 0 0 441.896 5.446 40 0 IKABRN O=C(Nc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1)c1ccco1 ZINC000020410996 557519832 /nfs/dbraw/zinc/51/98/32/557519832.db2.gz KERMKCOLVLBZFC-UHFFFAOYSA-N 0 0 442.294 5.156 40 0 IKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 ZINC000020411089 557520106 /nfs/dbraw/zinc/52/01/06/557520106.db2.gz IGXVDOPDYORPGD-AWEZNQCLSA-N 0 0 435.505 5.571 40 0 IKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000020411056 557520117 /nfs/dbraw/zinc/52/01/17/557520117.db2.gz MKHWGKWIJPEXNU-UHFFFAOYSA-N 0 0 443.484 5.556 40 0 IKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223846527 557520141 /nfs/dbraw/zinc/52/01/41/557520141.db2.gz HWMDBKCRODXCKO-QFIPXVFZSA-N 0 0 449.422 5.568 40 0 IKABRN CCCCOC(=O)c1ccc2nc(NC(=O)COc3cc(C)ccc3C(C)C)sc2c1 ZINC000020411548 557520296 /nfs/dbraw/zinc/52/02/96/557520296.db2.gz SMLFGDGXYPCTLZ-UHFFFAOYSA-N 0 0 440.565 5.703 40 0 IKABRN CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)cc1 ZINC000020411346 557520305 /nfs/dbraw/zinc/52/03/05/557520305.db2.gz GETXRTKIADTDJI-UHFFFAOYSA-N 0 0 449.963 6.398 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223848293 557520306 /nfs/dbraw/zinc/52/03/06/557520306.db2.gz ZCQHOQWYFOMVIK-KKSFZXQISA-N 0 0 435.395 5.258 40 0 IKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(O[C@@H](C)CC)c3)sc2c1 ZINC000020411512 557520332 /nfs/dbraw/zinc/52/03/32/557520332.db2.gz UZJSLVYRFDLTRL-HNNXBMFYSA-N 0 0 426.538 5.683 40 0 IKABRN CCCCOC(=O)c1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 ZINC000020411476 557520349 /nfs/dbraw/zinc/52/03/49/557520349.db2.gz FGOGQFUWGRQVAS-UHFFFAOYSA-N 0 0 444.556 6.024 40 0 IKABRN CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223848452 557520357 /nfs/dbraw/zinc/52/03/57/557520357.db2.gz ZCQHOQWYFOMVIK-IIBYNOLFSA-N 0 0 435.395 5.258 40 0 IKABRN COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)sc2c1 ZINC000020412383 557520764 /nfs/dbraw/zinc/52/07/64/557520764.db2.gz DFUXXXYUZYWMNZ-UHFFFAOYSA-N 0 0 447.299 5.902 40 0 IKABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 ZINC000020412261 557520775 /nfs/dbraw/zinc/52/07/75/557520775.db2.gz ONRUXMWAVGRHFH-UHFFFAOYSA-N 0 0 440.565 5.092 40 0 IKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 ZINC000223849890 557520806 /nfs/dbraw/zinc/52/08/06/557520806.db2.gz VHILDPHJSNQNPK-DHIUTWEWSA-N 0 0 446.963 5.408 40 0 IKABRN COC(=O)c1ccc2nc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2c1 ZINC000020412329 557520824 /nfs/dbraw/zinc/52/08/24/557520824.db2.gz PFXDVKPUEIYLGC-UHFFFAOYSA-N 0 0 437.329 5.857 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223851458 557521004 /nfs/dbraw/zinc/52/10/04/557521004.db2.gz BYWHALKTFZJCPY-MRXNPFEDSA-N 0 0 433.379 5.012 40 0 IKABRN Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223851540 557521009 /nfs/dbraw/zinc/52/10/09/557521009.db2.gz QTMRFGXKYOVZSI-IBGZPJMESA-N 0 0 426.988 5.057 40 0 IKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCC1 ZINC000223854103 557521240 /nfs/dbraw/zinc/52/12/40/557521240.db2.gz RYVVUFMWKCENFY-ZEQRLZLVSA-N 0 0 432.593 5.498 40 0 IKABRN CN(c1ccccc1C(=O)Nc1ccc2c3c(cccc31)CC2)S(=O)(=O)c1ccccc1 ZINC000223865390 557522295 /nfs/dbraw/zinc/52/22/95/557522295.db2.gz VXGIELGTSCLNBX-UHFFFAOYSA-N 0 0 442.540 5.016 40 0 IKABRN Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000019633242 557522359 /nfs/dbraw/zinc/52/23/59/557522359.db2.gz ZRPQVVYFJDRIHP-INROXSABSA-N 0 0 441.320 5.352 40 0 IKABRN Cc1ccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)cc1 ZINC000019635573 557522364 /nfs/dbraw/zinc/52/23/64/557522364.db2.gz IQEIJSYMDOFWHK-UHFFFAOYSA-N 0 0 442.412 6.718 40 0 IKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223867121 557522552 /nfs/dbraw/zinc/52/25/52/557522552.db2.gz RUZGLHWEGXGXIB-RPWUZVMVSA-N 0 0 426.545 5.063 40 0 IKABRN Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223866874 557522589 /nfs/dbraw/zinc/52/25/89/557522589.db2.gz JFRWJHQLHHJACE-RPWUZVMVSA-N 0 0 426.545 5.063 40 0 IKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223867183 557522829 /nfs/dbraw/zinc/52/28/29/557522829.db2.gz RUZGLHWEGXGXIB-BJKOFHAPSA-N 0 0 426.545 5.063 40 0 IKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000003139272 557523301 /nfs/dbraw/zinc/52/33/01/557523301.db2.gz QONVCJKGJVGINC-UHFFFAOYSA-N 0 0 439.342 7.351 40 0 IKABRN c1ccc(N[C@@H]([C@H](Nc2ccccc2)n2nnc3ccccc32)n2nnc3ccccc32)cc1 ZINC000003144569 557523553 /nfs/dbraw/zinc/52/35/53/557523553.db2.gz SPFMPCBCDSGWKT-CLJLJLNGSA-N 0 0 446.518 5.098 40 0 IKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000223872625 557523704 /nfs/dbraw/zinc/52/37/04/557523704.db2.gz CEWYZRWJSNFESR-XZOQPEGZSA-N 0 0 447.947 5.878 40 0 IKABRN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](Nc1ccc(F)cc1)C(=O)c1ccccc1 ZINC000027015796 557524110 /nfs/dbraw/zinc/52/41/10/557524110.db2.gz IFWQEPZBUQMECD-ILZDJORESA-N 0 0 435.326 5.154 40 0 IKABRN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](Nc1ccc(F)cc1)C(=O)c1ccccc1 ZINC000027015807 557524172 /nfs/dbraw/zinc/52/41/72/557524172.db2.gz IFWQEPZBUQMECD-XKGZKEIXSA-N 0 0 435.326 5.154 40 0 IKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C1CC1 ZINC000223888455 557525266 /nfs/dbraw/zinc/52/52/66/557525266.db2.gz YZCXZLRFDLZEQK-RPWUZVMVSA-N 0 0 431.609 5.078 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000223891363 557525716 /nfs/dbraw/zinc/52/57/16/557525716.db2.gz GWESBEIUYWOLMK-DNQXCXABSA-N 0 0 431.609 5.241 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223898731 557526598 /nfs/dbraw/zinc/52/65/98/557526598.db2.gz CAVHVAXNWGDDBK-HXUWFJFHSA-N 0 0 446.566 5.388 40 0 IKABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223903152 557526987 /nfs/dbraw/zinc/52/69/87/557526987.db2.gz UFFITUHGZLSLQC-MRXNPFEDSA-N 0 0 433.379 5.012 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223903087 557527036 /nfs/dbraw/zinc/52/70/36/557527036.db2.gz UFFITUHGZLSLQC-INIZCTEOSA-N 0 0 433.379 5.012 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223910444 557527689 /nfs/dbraw/zinc/52/76/89/557527689.db2.gz NDUAWNBYTCVVLG-RPBOFIJWSA-N 0 0 440.572 5.585 40 0 IKABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2CCc3ccccc3C2)nc1 ZINC000223911617 557527809 /nfs/dbraw/zinc/52/78/09/557527809.db2.gz GJCQMSHBPCMJRL-UHFFFAOYSA-N 0 0 440.572 5.391 40 0 IKABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000223914997 557528295 /nfs/dbraw/zinc/52/82/95/557528295.db2.gz CGNQVUJPKRZPKB-AWEZNQCLSA-N 0 0 441.786 5.133 40 0 IKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 ZINC000223916315 557528482 /nfs/dbraw/zinc/52/84/82/557528482.db2.gz OPYFABGIFHQMGV-INIZCTEOSA-N 0 0 441.000 5.860 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223916028 557528515 /nfs/dbraw/zinc/52/85/15/557528515.db2.gz SCJDEJDWEPMFAU-DQEYMECFSA-N 0 0 439.588 5.115 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223916165 557528529 /nfs/dbraw/zinc/52/85/29/557528529.db2.gz SCJDEJDWEPMFAU-JWQCQUIFSA-N 0 0 439.588 5.115 40 0 IKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000223916118 557528569 /nfs/dbraw/zinc/52/85/69/557528569.db2.gz SCJDEJDWEPMFAU-LOSJGSFVSA-N 0 0 439.588 5.115 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223918433 557528783 /nfs/dbraw/zinc/52/87/83/557528783.db2.gz DEBWICTVJWGEQT-QGZVFWFLSA-N 0 0 437.005 5.111 40 0 IKABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223927624 557529693 /nfs/dbraw/zinc/52/96/93/557529693.db2.gz GTERWIXDYSWCQW-UHFFFAOYSA-N 0 0 436.533 5.061 40 0 IKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 ZINC000003865111 557529819 /nfs/dbraw/zinc/52/98/19/557529819.db2.gz SMNNPRYAEDCRGM-ZEWPVNIHSA-N 0 0 447.531 5.964 40 0 IKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 ZINC000003865110 557529884 /nfs/dbraw/zinc/52/98/84/557529884.db2.gz SMNNPRYAEDCRGM-LQUSUNTNSA-N 0 0 447.531 5.964 40 0 IKABRN Cc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)C(C)C)c(C)c1 ZINC000223929829 557530238 /nfs/dbraw/zinc/53/02/38/557530238.db2.gz XWHGKTQGSOTTSG-XMMPIXPASA-N 0 0 436.577 5.231 40 0 IKABRN Cc1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)C(C)C)c(C)c1 ZINC000223929771 557530289 /nfs/dbraw/zinc/53/02/89/557530289.db2.gz XWHGKTQGSOTTSG-DEOSSOPVSA-N 0 0 436.577 5.231 40 0 IKABRN COc1cc(C)c(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1C(C)C ZINC000223935380 557531125 /nfs/dbraw/zinc/53/11/25/557531125.db2.gz XZVWZZRFKUQTIO-UHFFFAOYSA-N 0 0 446.009 5.131 40 0 IKABRN CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000223942742 557532126 /nfs/dbraw/zinc/53/21/26/557532126.db2.gz WHJXGOPIBBYQRM-UHFFFAOYSA-N 0 0 426.563 5.160 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)c1 ZINC000223947476 557532641 /nfs/dbraw/zinc/53/26/41/557532641.db2.gz KFOMSNTZSNAOCC-UHFFFAOYSA-N 0 0 449.359 5.033 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)cc1C ZINC000223947600 557532657 /nfs/dbraw/zinc/53/26/57/557532657.db2.gz MSXGTTFQHGBZMO-UHFFFAOYSA-N 0 0 430.614 5.357 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1 ZINC000223947011 557532765 /nfs/dbraw/zinc/53/27/65/557532765.db2.gz NBJQLMUOJPUQAK-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000223946928 557532789 /nfs/dbraw/zinc/53/27/89/557532789.db2.gz AGCDVSJCYMIIDF-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)c1 ZINC000223949801 557532959 /nfs/dbraw/zinc/53/29/59/557532959.db2.gz ITDQWKPDSIVALO-UHFFFAOYSA-N 0 0 430.614 5.357 40 0 IKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)c1 ZINC000223948830 557532990 /nfs/dbraw/zinc/53/29/90/557532990.db2.gz NWSDEPLIGFHYDW-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 IKABRN CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000223950757 557533303 /nfs/dbraw/zinc/53/33/03/557533303.db2.gz QCKUKYHHMIQILT-UHFFFAOYSA-N 0 0 426.563 5.160 40 0 IKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000223952195 557533525 /nfs/dbraw/zinc/53/35/25/557533525.db2.gz OZOSNJVPBMRAGE-HXUWFJFHSA-N 0 0 430.614 5.359 40 0 IKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223954176 557533813 /nfs/dbraw/zinc/53/38/13/557533813.db2.gz DWBJKNGQZBBIAO-KRWDZBQOSA-N 0 0 433.986 5.588 40 0 IKABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223957732 557534254 /nfs/dbraw/zinc/53/42/54/557534254.db2.gz OZUPJPKUISGBLE-QGZVFWFLSA-N 0 0 449.422 5.603 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000223961021 557534913 /nfs/dbraw/zinc/53/49/13/557534913.db2.gz KBBAEKZFYXMOPD-UHFFFAOYSA-N 0 0 426.513 5.004 40 0 IKABRN Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000223961131 557535067 /nfs/dbraw/zinc/53/50/67/557535067.db2.gz CJIAWBBPFZPJCM-UHFFFAOYSA-N 0 0 426.513 5.311 40 0 IKABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(C)cc1C ZINC000223964109 557535433 /nfs/dbraw/zinc/53/54/33/557535433.db2.gz WKZUPMZURHFBKQ-JOCHJYFZSA-N 0 0 440.540 5.124 40 0 IKABRN CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000223966084 557535656 /nfs/dbraw/zinc/53/56/56/557535656.db2.gz MHVLJNIYENKIFE-UHFFFAOYSA-N 0 0 426.513 5.004 40 0 IKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000223966521 557535672 /nfs/dbraw/zinc/53/56/72/557535672.db2.gz LEZLUNJCRHBEGG-UHFFFAOYSA-N 0 0 439.295 5.186 40 0 IKABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000223969120 557536380 /nfs/dbraw/zinc/53/63/80/557536380.db2.gz CJRWIXROZDVVFO-BJKOFHAPSA-N 0 0 445.592 5.134 40 0 IKABRN Cc1ccccc1[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(C)C ZINC000223970009 557536399 /nfs/dbraw/zinc/53/63/99/557536399.db2.gz WBBLIDPOJUUPFC-HSZRJFAPSA-N 0 0 440.540 5.062 40 0 IKABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccc(C)cc1C ZINC000223969712 557536420 /nfs/dbraw/zinc/53/64/20/557536420.db2.gz SNRUVIXHWIFUAG-QHCPKHFHSA-N 0 0 440.540 5.124 40 0 IKABRN Cc1nc(NC(=S)NCC2(c3ccccc3)CCCC2)c(Cl)cc1Br ZINC000223971202 557536643 /nfs/dbraw/zinc/53/66/43/557536643.db2.gz DFTTXNMGEQTZQZ-UHFFFAOYSA-N 0 0 438.822 5.604 40 0 IKABRN CC(C)(C)OC(=O)Nc1ccccc1NC(=O)CCCCCC(=O)Nc1ccccc1 ZINC000044699371 557536692 /nfs/dbraw/zinc/53/66/92/557536692.db2.gz HFNCPUKVONEFHY-UHFFFAOYSA-N 0 0 425.529 5.561 40 0 in-vitro IKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223974762 557537147 /nfs/dbraw/zinc/53/71/47/557537147.db2.gz SPYVKAUQXNXTPU-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000223974980 557537509 /nfs/dbraw/zinc/53/75/09/557537509.db2.gz VOXQDHRHEQBERM-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 ZINC000223976219 557537532 /nfs/dbraw/zinc/53/75/32/557537532.db2.gz YMOGPZSUUJAPEZ-INIZCTEOSA-N 0 0 427.932 5.248 40 0 IKABRN Cc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223976666 557537535 /nfs/dbraw/zinc/53/75/35/557537535.db2.gz CJNSOFKOEJLHAK-KRWDZBQOSA-N 0 0 447.406 5.320 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975761 557537558 /nfs/dbraw/zinc/53/75/58/557537558.db2.gz OHSVPRFGSMPVDH-UHFFFAOYSA-N 0 0 428.941 5.264 40 0 IKABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(C)cc1 ZINC000223978154 557538015 /nfs/dbraw/zinc/53/80/15/557538015.db2.gz PTEGXZIBPJMSCM-JOCHJYFZSA-N 0 0 442.968 5.330 40 0 IKABRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1Br ZINC000223978295 557538109 /nfs/dbraw/zinc/53/81/09/557538109.db2.gz WQPAEYCDPUWJSH-UHFFFAOYSA-N 0 0 432.295 5.158 40 0 IKABRN Fc1ccc(C2(CNC(=S)Nc3ncc(Cl)cc3Br)CCCC2)cc1 ZINC000223980359 557538534 /nfs/dbraw/zinc/53/85/34/557538534.db2.gz QHQMXWBTUZEBMX-UHFFFAOYSA-N 0 0 442.785 5.435 40 0 IKABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000223980319 557538556 /nfs/dbraw/zinc/53/85/56/557538556.db2.gz OFZWZIORPZPMOA-KRWDZBQOSA-N 0 0 447.406 5.402 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000223992614 557540701 /nfs/dbraw/zinc/54/07/01/557540701.db2.gz WNUWWKRRBABJBY-UHFFFAOYSA-N 0 0 426.563 5.078 40 0 IKABRN C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)C1 ZINC000223993561 557540822 /nfs/dbraw/zinc/54/08/22/557540822.db2.gz NABYBLWTXOMJRJ-SFTDATJTSA-N 0 0 436.669 5.752 40 0 IKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000223993151 557540887 /nfs/dbraw/zinc/54/08/87/557540887.db2.gz YMBHTHBFKWUKNY-UHFFFAOYSA-N 0 0 432.954 5.115 40 0 IKABRN 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ZINC000224490607 557612034 /nfs/dbraw/zinc/61/20/34/557612034.db2.gz MBWCHGLVTIVYFM-UHFFFAOYSA-N 0 0 425.912 5.887 40 0 IKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cccc(Cl)c1 ZINC000224495531 557612802 /nfs/dbraw/zinc/61/28/02/557612802.db2.gz TVSBDKOWULCFSG-MRXNPFEDSA-N 0 0 427.903 5.948 40 0 IKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 ZINC000224495272 557612825 /nfs/dbraw/zinc/61/28/25/557612825.db2.gz MIOPLAAXIGFZOZ-MRXNPFEDSA-N 0 0 444.358 6.462 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(Cl)cc1 ZINC000224499492 557613101 /nfs/dbraw/zinc/61/31/01/557613101.db2.gz XUSABOLPQSVUIE-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(Cl)cc1 ZINC000224499358 557613135 /nfs/dbraw/zinc/61/31/35/557613135.db2.gz DVAXZIUGRIEHSG-UHFFFAOYSA-N 0 0 430.331 6.532 40 0 IKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccc(Cl)cc1 ZINC000224501524 557613496 /nfs/dbraw/zinc/61/34/96/557613496.db2.gz NREMFAJNQBGLHW-UHFFFAOYSA-N 0 0 446.330 6.232 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1ccc(Cl)cc1 ZINC000224501599 557613530 /nfs/dbraw/zinc/61/35/30/557613530.db2.gz BCSRXFRDNCTRBF-UHFFFAOYSA-N 0 0 446.330 6.232 40 0 IKABRN CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Br)cc1 ZINC000224503405 557613657 /nfs/dbraw/zinc/61/36/57/557613657.db2.gz ROZMRAFRQUTLBF-VQTJNVASSA-N 0 0 441.398 5.404 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000224504446 557613892 /nfs/dbraw/zinc/61/38/92/557613892.db2.gz ODAHKHHDLVBKBJ-NRFANRHFSA-N 0 0 435.395 5.096 40 0 IKABRN CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(Cl)cc1 ZINC000224505532 557614067 /nfs/dbraw/zinc/61/40/67/557614067.db2.gz WEEJISHLHGQFAN-LJQANCHMSA-N 0 0 437.967 6.069 40 0 IKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1C(C)(C)C ZINC000224508768 557614440 /nfs/dbraw/zinc/61/44/40/557614440.db2.gz VDVFUZYLJIFLID-UHFFFAOYSA-N 0 0 431.576 6.831 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1C(C)(C)C ZINC000224509387 557614610 /nfs/dbraw/zinc/61/46/10/557614610.db2.gz CJLUNMOVNJUPKG-UHFFFAOYSA-N 0 0 445.603 7.338 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1C(C)(C)C ZINC000224509118 557614616 /nfs/dbraw/zinc/61/46/16/557614616.db2.gz ZQYXDHODAAOSSH-UHFFFAOYSA-N 0 0 431.576 6.831 40 0 IKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1C(C)(C)C ZINC000224508983 557614665 /nfs/dbraw/zinc/61/46/65/557614665.db2.gz UGDFONJDPLLCGT-UHFFFAOYSA-N 0 0 431.576 6.831 40 0 IKABRN CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccccc1C(C)(C)C ZINC000224511669 557614760 /nfs/dbraw/zinc/61/47/60/557614760.db2.gz TVAORYFCIKEABK-UHFFFAOYSA-N 0 0 433.548 6.223 40 0 IKABRN CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(OC)c(C)c1 ZINC000224516127 557615164 /nfs/dbraw/zinc/61/51/64/557615164.db2.gz ZUKLPBZNJFYPPM-INIZCTEOSA-N 0 0 426.738 5.066 40 0 IKABRN CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000224515128 557615183 /nfs/dbraw/zinc/61/51/83/557615183.db2.gz NIIPLTNKSFSBLI-IBGZPJMESA-N 0 0 441.786 5.133 40 0 IKABRN CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224518625 557615482 /nfs/dbraw/zinc/61/54/82/557615482.db2.gz YZBCSFXALMAAAH-UHFFFAOYSA-N 0 0 431.576 6.200 40 0 IKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 ZINC000224518360 557615492 /nfs/dbraw/zinc/61/54/92/557615492.db2.gz PZIKGOOBYYGSFC-JOCHJYFZSA-N 0 0 447.044 5.153 40 0 IKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000224518120 557615523 /nfs/dbraw/zinc/61/55/23/557615523.db2.gz BYFCGOAHBBWWRY-XMMPIXPASA-N 0 0 440.653 5.116 40 0 IKABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)c1 ZINC000224519073 557615639 /nfs/dbraw/zinc/61/56/39/557615639.db2.gz PEUDOXLSXXDRAE-ROUUACIJSA-N 0 0 446.395 5.091 40 0 IKABRN CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224519108 557615670 /nfs/dbraw/zinc/61/56/70/557615670.db2.gz SNFFQXHFQGZTEB-UHFFFAOYSA-N 0 0 431.576 5.934 40 0 IKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224519986 557615796 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CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224523471 557616242 /nfs/dbraw/zinc/61/62/42/557616242.db2.gz KECALMYGKUVAHN-UHFFFAOYSA-N 0 0 447.575 6.531 40 0 IKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000224525338 557616381 /nfs/dbraw/zinc/61/63/81/557616381.db2.gz KVTOZNXTFSYPFY-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224523944 557616431 /nfs/dbraw/zinc/61/64/31/557616431.db2.gz AOQZBWCZTPFNHS-UHFFFAOYSA-N 0 0 446.547 5.313 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000224525606 557616464 /nfs/dbraw/zinc/61/64/64/557616464.db2.gz QBSFLWOXWKTWCH-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000224525260 557616493 /nfs/dbraw/zinc/61/64/93/557616493.db2.gz NZLXCSPIOXMGPX-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224526484 557616646 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IKABRN Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000224539226 557618384 /nfs/dbraw/zinc/61/83/84/557618384.db2.gz ZRZITBYYZOPSOM-UHFFFAOYSA-N 0 0 435.395 5.017 40 0 IKABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c1 ZINC000224539580 557618396 /nfs/dbraw/zinc/61/83/96/557618396.db2.gz UYOIORLTBQSCHO-DQEYMECFSA-N 0 0 440.572 5.366 40 0 IKABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)c1 ZINC000224539719 557618633 /nfs/dbraw/zinc/61/86/33/557618633.db2.gz UYOIORLTBQSCHO-JWQCQUIFSA-N 0 0 440.572 5.366 40 0 IKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000224540472 557618639 /nfs/dbraw/zinc/61/86/39/557618639.db2.gz XAXIRMOHWUZCFN-UHFFFAOYSA-N 0 0 446.503 5.546 40 0 IKABRN O=C(NCc1ccc(CN2CCOCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224541329 557618779 /nfs/dbraw/zinc/61/87/79/557618779.db2.gz WEEBRWKGYJIHFD-XIEYBQDHSA-N 0 0 446.978 5.029 40 0 IKABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000224540884 557618801 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ZINC000059489717 557825914 /nfs/dbraw/zinc/82/59/14/557825914.db2.gz VCWVPZNSFGLODX-AWNIVKPZSA-N 0 0 448.544 6.062 40 0 IKABRN Cc1cccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(C(C)(C)C)cc4)OC3=O)cc2)c1 ZINC000059503064 557826654 /nfs/dbraw/zinc/82/66/54/557826654.db2.gz BFZUISWPJHBVPL-ULJHMMPZSA-N 0 0 439.511 5.856 40 0 IKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000123288752 557837202 /nfs/dbraw/zinc/83/72/02/557837202.db2.gz DVIUCIPCTDVQAP-QWSDYRRXSA-N 0 0 432.645 6.166 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000123260124 557837296 /nfs/dbraw/zinc/83/72/96/557837296.db2.gz GPYWHLREAIMALG-VGJWNYLPSA-N 0 0 444.700 7.218 40 0 IKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000123294315 557837355 /nfs/dbraw/zinc/83/73/55/557837355.db2.gz YWMXOBLUILSCFX-JKSYJIPYSA-N 0 0 446.628 5.345 40 0 IKABRN FC(F)(F)c1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3CC3CCCCC3)n2)cc1 ZINC000015675530 560095018 /nfs/dbraw/zinc/09/50/18/560095018.db2.gz WGDWMSJXTMCICK-IBGZPJMESA-N 0 0 431.462 5.158 40 0 biogenic,in-vitro IKABRN Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NCc2ccccc2)C1 ZINC000008636074 560210555 /nfs/dbraw/zinc/21/05/55/560210555.db2.gz VQPWSNXJGFQWDN-DNQXCXABSA-N 0 0 428.580 5.524 40 0 biogenic,in-vitro IKABRN COc1ccccc1CC(=O)Nc1ccc(-c2noc(COc3cccc(C)c3C)n2)cc1 ZINC000002931032 562930697 /nfs/dbraw/zinc/93/06/97/562930697.db2.gz NUHTXEUVPYPJAQ-UHFFFAOYSA-N 0 0 443.503 5.122 40 0 IKABRN C[C@H]1C(=O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000040379106 563099417 /nfs/dbraw/zinc/09/94/17/563099417.db2.gz DSEKYWAQQVUQTP-XEWMWGOFSA-N 0 0 442.728 7.428 40 0 IKABRN CCOc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OCc1ccccc1 ZINC000034897057 568622652 /nfs/dbraw/zinc/62/26/52/568622652.db2.gz MQLSACSKOXFARZ-UHFFFAOYSA-N 0 0 448.426 5.834 40 0 IKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([C@@H](C)CC)cc4)cc3n2)cc1 ZINC000019636729 568624446 /nfs/dbraw/zinc/62/44/46/568624446.db2.gz AKKSGMZSRSHZMN-SFHVURJKSA-N 0 0 442.563 5.822 40 0 IKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000222547135 568626483 /nfs/dbraw/zinc/62/64/83/568626483.db2.gz PZYOOMIMRLALDM-UHFFFAOYSA-N 0 0 449.359 5.379 40 0 IKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000223181528 568626667 /nfs/dbraw/zinc/62/66/67/568626667.db2.gz ZYAUMIBIOYFNGI-QFIPXVFZSA-N 0 0 426.626 5.199 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2C)c2ccccc2)c1C ZINC000026770812 568738759 /nfs/dbraw/zinc/73/87/59/568738759.db2.gz GOBQIOHKAYANQG-VWLOTQADSA-N 0 0 426.585 7.127 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2ccc(Cl)cc2)c1C ZINC000026770863 568738766 /nfs/dbraw/zinc/73/87/66/568738766.db2.gz PZEYHPDPENKTTN-DEOSSOPVSA-N 0 0 447.003 7.472 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccc(F)cc2)c2ccccc2)c1C ZINC000026770761 568738776 /nfs/dbraw/zinc/73/87/76/568738776.db2.gz UJIVNHNEMRRHNL-DEOSSOPVSA-N 0 0 430.548 6.958 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(Cl)c2)c2ccccn2)c1C ZINC000026770917 568738779 /nfs/dbraw/zinc/73/87/79/568738779.db2.gz YGYZFAQLOKICBO-HSZRJFAPSA-N 0 0 447.991 6.867 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2Cl)c2ccccc2)c1C ZINC000026770805 568738834 /nfs/dbraw/zinc/73/88/34/568738834.db2.gz TZZCWGGTTDNXFJ-DEOSSOPVSA-N 0 0 447.003 7.472 40 0 IKABRN COc1ccccc1[C@@H](Nc1ccccc1)c1c(C)c(C)sc1NC(=O)c1ccccc1 ZINC000026770887 568738877 /nfs/dbraw/zinc/73/88/77/568738877.db2.gz NKRZGZVMXCQEND-RUZDIDTESA-N 0 0 442.584 6.827 40 0 IKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccc(F)cc2)c2ccncc2)c1C ZINC000026770942 568739076 /nfs/dbraw/zinc/73/90/76/568739076.db2.gz AXHODNNKUXJJJH-QHCPKHFHSA-N 0 0 431.536 6.353 40 0 IKABRN Cc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nc3ccccc3c2=O)c(C)c1 ZINC000003531675 568750518 /nfs/dbraw/zinc/75/05/18/568750518.db2.gz ZQHWFOXXNCFKQZ-UHFFFAOYSA-N 0 0 440.528 5.345 40 0 IKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000072229881 568783225 /nfs/dbraw/zinc/78/32/25/568783225.db2.gz IKWCYLWJPFAMEI-AREMUKBSSA-N 0 0 427.931 6.192 40 0 IKABRN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072230086 568783228 /nfs/dbraw/zinc/78/32/28/568783228.db2.gz KBAOWCPUHIXXOU-MHZLTWQESA-N 0 0 443.930 6.106 40 0 IKABRN O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230052 568783254 /nfs/dbraw/zinc/78/32/54/568783254.db2.gz DENPFPUBTGMQAN-OAQYLSRUSA-N 0 0 446.728 5.202 40 0 IKABRN O=C(Nc1ccc(F)cc1F)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000866944 568787451 /nfs/dbraw/zinc/78/74/51/568787451.db2.gz FPNJXFNVJLHURZ-DGCLKSJQSA-N 0 0 446.763 5.320 40 0 IKABRN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000000958064 568787640 /nfs/dbraw/zinc/78/76/40/568787640.db2.gz CPLWPJFQDMOLTF-UHFFFAOYSA-N 0 0 445.924 5.515 40 0 IKABRN Cc1cc(OCC(=O)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)ccc1Cl ZINC000000959371 568787655 /nfs/dbraw/zinc/78/76/55/568787655.db2.gz ASRJAYNFWSKRNK-UHFFFAOYSA-N 0 0 430.287 5.539 40 0 IKABRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(OCC)cc1 ZINC000000957102 568787662 /nfs/dbraw/zinc/78/76/62/568787662.db2.gz IXYJFHAUMNLIGZ-UHFFFAOYSA-N 0 0 425.506 5.008 40 0 IKABRN O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000000960084 568787680 /nfs/dbraw/zinc/78/76/80/568787680.db2.gz DFFUZPJSISIHJN-UHFFFAOYSA-N 0 0 440.282 5.051 40 0 IKABRN O=C(c1cccs1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000001049640 568788066 /nfs/dbraw/zinc/78/80/66/568788066.db2.gz URCBFPMQBJCRMP-OAQYLSRUSA-N 0 0 426.463 6.036 40 0 IKABRN Cc1cc(Oc2cc3c(N)nnc(N)c3cc2Oc2ccc(Cl)c(C)c2)ccc1Cl ZINC000001262550 568788205 /nfs/dbraw/zinc/78/82/05/568788205.db2.gz RBWHYJINGKPALX-UHFFFAOYSA-N 0 0 441.318 6.302 40 0 IKABRN Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c(C)c1 ZINC000001436543 568788227 /nfs/dbraw/zinc/78/82/27/568788227.db2.gz SBIHRMCKSCSROC-RUZDIDTESA-N 0 0 441.531 5.261 40 0 IKABRN CCCCCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1OC ZINC000001904262 568788410 /nfs/dbraw/zinc/78/84/10/568788410.db2.gz DJDRBHXPCPDTIH-FYWRMAATSA-N 0 0 436.577 6.348 40 0 IKABRN CCOC(=O)c1c(NC(=O)/C(Br)=C/c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000001809173 568788411 /nfs/dbraw/zinc/78/84/11/568788411.db2.gz GIOHTOFQRCCLGP-OPCAMPFDSA-N 0 0 448.382 5.424 40 0 IKABRN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(C)(C)C)c1 ZINC000001916377 568788777 /nfs/dbraw/zinc/78/87/77/568788777.db2.gz QWPAVBGZJBLMPI-UHFFFAOYSA-N 0 0 449.403 6.740 40 0 IKABRN Cc1ccccc1NC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O ZINC000002732574 568788861 /nfs/dbraw/zinc/78/88/61/568788861.db2.gz QNMXBIXBEVMCLM-UHFFFAOYSA-N 0 0 434.923 5.207 40 0 IKABRN Cc1cc(OCc2ccc(C(=O)N3CCC(=O)[C@H]4CCCC[C@H]43)o2)c(C(C)C)cc1Cl ZINC000002791767 568789305 /nfs/dbraw/zinc/78/93/05/568789305.db2.gz MGPIGUQHHXQDOW-GHTZIAJQSA-N 0 0 443.971 5.918 40 0 IKABRN Cc1cc(OCc2ccc(C(=O)N3CCC(=O)[C@@H]4CCCC[C@@H]43)o2)c(C(C)C)cc1Cl ZINC000002791768 568789318 /nfs/dbraw/zinc/78/93/18/568789318.db2.gz MGPIGUQHHXQDOW-NQIIRXRSSA-N 0 0 443.971 5.918 40 0 IKABRN Cc1cc(OCc2ccc(C(=O)N3CCC(=O)[C@H]4CCCC[C@@H]43)o2)c(C(C)C)cc1Cl ZINC000002791766 568789344 /nfs/dbraw/zinc/78/93/44/568789344.db2.gz MGPIGUQHHXQDOW-RXVVDRJESA-N 0 0 443.971 5.918 40 0 IKABRN FC(F)(F)c1cc(-c2cccs2)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000002803274 568789553 /nfs/dbraw/zinc/78/95/53/568789553.db2.gz WNVQXJZYCNVKEE-UHFFFAOYSA-N 0 0 430.333 5.688 40 0 IKABRN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000002084081 568789693 /nfs/dbraw/zinc/78/96/93/568789693.db2.gz OOKKGWUYCGNHPY-NKVSQWTQSA-N 0 0 443.808 5.681 40 0 IKABRN CC(=O)Nc1ccc([C@@H]2c3c(ccc4ccccc43)Nc3c4ccccc4oc(=O)c32)cc1 ZINC000101581180 568791922 /nfs/dbraw/zinc/79/19/22/568791922.db2.gz CVWIECJFFWTIFO-XMMPIXPASA-N 0 0 432.479 6.142 40 0 IKABRN O=C(Cc1cccc2ccccc21)Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@@H]21 ZINC000102987144 568792299 /nfs/dbraw/zinc/79/22/99/568792299.db2.gz JCMRXPLXUHWJKN-USXZWKKNSA-N 0 0 436.599 6.622 40 0 IKABRN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=S)Nc2ccccc2)cc1 ZINC000001443620 568813155 /nfs/dbraw/zinc/81/31/55/568813155.db2.gz PTXNJDNFUSTBJV-DEOSSOPVSA-N 0 0 434.561 5.057 40 0 IKABRN Brc1ccc(-c2nn(-c3ccccc3)cc2Cc2nc3ccccc3[nH]2)cc1 ZINC000027987130 568819444 /nfs/dbraw/zinc/81/94/44/568819444.db2.gz LEQZPEJUBJZBQF-UHFFFAOYSA-N 0 0 429.321 5.769 40 0 IKABRN Cc1cccc(/N=c2\scc(-c3ccccc3F)n2Cc2ccc3c(c2)OCO3)c1C ZINC000015912617 568858657 /nfs/dbraw/zinc/85/86/57/568858657.db2.gz XDEKZYKYTKXUCQ-RFBIWTDZSA-N 0 0 432.520 5.982 40 0 IKABRN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001973246 568859289 /nfs/dbraw/zinc/85/92/89/568859289.db2.gz CJKBJLDLJMEYBY-UHFFFAOYSA-N 0 0 426.605 5.461 40 0 IKABRN Cc1cccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccc(Cl)cc2)c1 ZINC000003483302 568860116 /nfs/dbraw/zinc/86/01/16/568860116.db2.gz YQMQSWJPLIGZQT-UHFFFAOYSA-N 0 0 443.016 5.634 40 0 IKABRN CCCCCCOc1ccc(/C=C/C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1OC ZINC000027345774 568863783 /nfs/dbraw/zinc/86/37/83/568863783.db2.gz UZMLLYZRVQZCJO-KSEUIEODSA-N 0 0 431.558 5.009 40 0 IKABRN O=C(Nc1ccc(F)cc1F)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539341 568864548 /nfs/dbraw/zinc/86/45/48/568864548.db2.gz GAOSBBAIJNCDMR-UHFFFAOYSA-N 0 0 437.449 6.494 40 0 IKABRN COC(=O)c1c(-c2cccs2)csc1NC(=O)CCCOc1cc(C)ccc1C ZINC000028540246 568864592 /nfs/dbraw/zinc/86/45/92/568864592.db2.gz PBEPZTASBXWWFB-UHFFFAOYSA-N 0 0 429.563 5.678 40 0 IKABRN CCOC(=O)c1c2c(sc1NC(=O)Cc1csc(-c3ccccc3)n1)C[C@@H](C)CC2 ZINC000028540170 568864599 /nfs/dbraw/zinc/86/45/99/568864599.db2.gz AELFDSJTJNXIPL-AWEZNQCLSA-N 0 0 440.590 5.354 40 0 IKABRN CCc1cccc(C)c1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539488 568864635 /nfs/dbraw/zinc/86/46/35/568864635.db2.gz SBQCRYBLYKQASM-UHFFFAOYSA-N 0 0 443.550 7.087 40 0 IKABRN C[C@H](NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 ZINC000028539289 568864682 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569219018 /nfs/dbraw/zinc/21/90/18/569219018.db2.gz DCXZSCFRBFVPAR-HSZRJFAPSA-N 0 0 428.576 5.005 40 0 IKABRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 ZINC000008812506 569219244 /nfs/dbraw/zinc/21/92/44/569219244.db2.gz JHXFSRORMBSOPH-UHFFFAOYSA-N 0 0 436.364 6.072 40 0 IKABRN COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4cccc(C)c4)c3)s2)cc1 ZINC000009062312 569219518 /nfs/dbraw/zinc/21/95/18/569219518.db2.gz GWYPUTRLMTZMLL-UHFFFAOYSA-N 0 0 444.516 5.027 40 0 IKABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC ZINC000009972612 569220242 /nfs/dbraw/zinc/22/02/42/569220242.db2.gz FSKBQZZIWIPMKG-GEYIUBJWSA-N 0 0 445.968 6.071 40 0 IKABRN Cc1cccc(OCc2ccc(C(=O)Oc3ccccc3C(=O)Nc3ccccc3)cc2)c1 ZINC000010000377 569220839 /nfs/dbraw/zinc/22/08/39/569220839.db2.gz PRDJELHKJNQRQM-UHFFFAOYSA-N 0 0 437.495 6.046 40 0 IKABRN Cc1ccc(CCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000010110392 569221025 /nfs/dbraw/zinc/22/10/25/569221025.db2.gz UFIBONNJDKSMMQ-HHHXNRCGSA-N 0 0 444.600 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569223248 /nfs/dbraw/zinc/22/32/48/569223248.db2.gz KUMFNSQOSPVEFS-UHFFFAOYSA-N 0 0 449.016 5.149 40 0 IKABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O ZINC000010329253 569223273 /nfs/dbraw/zinc/22/32/73/569223273.db2.gz XMPOYZQQPKMWDH-UHFFFAOYSA-N 0 0 449.787 5.140 40 0 IKABRN Cc1c(Cl)cccc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010337486 569223501 /nfs/dbraw/zinc/22/35/01/569223501.db2.gz KQBAEHHPEAFKOI-UHFFFAOYSA-N 0 0 446.931 5.006 40 0 IKABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000010335137 569223521 /nfs/dbraw/zinc/22/35/21/569223521.db2.gz GSIKAMZEDKIHTM-UHFFFAOYSA-N 0 0 444.556 5.367 40 0 IKABRN Cc1ccc(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1C ZINC000010358396 569223702 /nfs/dbraw/zinc/22/37/02/569223702.db2.gz NAXHXLGSMGXEPI-UHFFFAOYSA-N 0 0 436.577 5.155 40 0 IKABRN Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1NS(=O)(=O)c1ccccc1 ZINC000010358888 569223730 /nfs/dbraw/zinc/22/37/30/569223730.db2.gz IRMMVPISEJMGFH-UHFFFAOYSA-N 0 0 434.439 5.067 40 0 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Cc1ccc(CN2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)cc1C ZINC000019764741 569238499 /nfs/dbraw/zinc/23/84/99/569238499.db2.gz IQCPJICIZLOOBD-DEOSSOPVSA-N 0 0 432.543 5.520 40 0 IKABRN Cc1nc([C@H]2CCCCN2Cc2cccc(Cl)c2)ncc1C(=O)Nc1ccccc1F ZINC000019764750 569238538 /nfs/dbraw/zinc/23/85/38/569238538.db2.gz JVHHHXPBDSYMPL-JOCHJYFZSA-N 0 0 438.934 5.557 40 0 IKABRN Cc1nc([C@@H]2CCCCN2Cc2cccc(-c3ccc(F)cc3)c2)ncc1C(=O)N(C)C ZINC000019765584 569238906 /nfs/dbraw/zinc/23/89/06/569238906.db2.gz OTFHTQXZJSIUBA-DEOSSOPVSA-N 0 0 432.543 5.020 40 0 IKABRN Cc1nc([C@H]2CCCCN2Cc2cccc(-c3ccc(F)cc3)c2)ncc1C(=O)N(C)C ZINC000019765585 569238964 /nfs/dbraw/zinc/23/89/64/569238964.db2.gz OTFHTQXZJSIUBA-XMMPIXPASA-N 0 0 432.543 5.020 40 0 IKABRN Cc1nc([C@H]2CCCCN2Cc2ccccc2-c2ccccc2F)ncc1C(=O)N(C)C ZINC000019765627 569238977 /nfs/dbraw/zinc/23/89/77/569238977.db2.gz JCNDAXSUNDQTOT-XMMPIXPASA-N 0 0 432.543 5.020 40 0 IKABRN Cc1cc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1Br ZINC000020238876 569240998 /nfs/dbraw/zinc/24/09/98/569240998.db2.gz JPVWDMGYYXOSIQ-UHFFFAOYSA-N 0 0 446.797 6.956 40 0 IKABRN Cc1cc(C)cc(CSCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020237971 569241014 /nfs/dbraw/zinc/24/10/14/569241014.db2.gz WKVODPGVGRYRJG-UHFFFAOYSA-N 0 0 444.644 5.470 40 0 IKABRN Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Cl ZINC000020239783 569241124 /nfs/dbraw/zinc/24/11/24/569241124.db2.gz NHKKMOKESRRYOV-DEOSSOPVSA-N 0 0 436.964 5.675 40 0 IKABRN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000020238908 569241134 /nfs/dbraw/zinc/24/11/34/569241134.db2.gz KQPDIJCCNUXLHE-UHFFFAOYSA-N 0 0 442.049 6.437 40 0 IKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000020571376 569241470 /nfs/dbraw/zinc/24/14/70/569241470.db2.gz QVNMRYHXNIRDRO-UHFFFAOYSA-N 0 0 435.332 5.355 40 0 IKABRN O=C(Nc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1)c1cccs1 ZINC000021142458 569241521 /nfs/dbraw/zinc/24/15/21/569241521.db2.gz CMDWPZDEMDKKFF-UHFFFAOYSA-N 0 0 447.368 6.774 40 0 IKABRN Cc1ccc(-n2c(SCC(=O)Nc3cc(F)ccc3C)nnc2-c2ccccc2)cc1 ZINC000021751969 569241637 /nfs/dbraw/zinc/24/16/37/569241637.db2.gz GAKGGMYWKOGDDS-UHFFFAOYSA-N 0 0 432.524 5.421 40 0 IKABRN CC(C)(C)c1ccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000023227787 569241709 /nfs/dbraw/zinc/24/17/09/569241709.db2.gz PKVGNBXBDWIRQV-UHFFFAOYSA-N 0 0 440.631 5.851 40 0 IKABRN C/C(=C\CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)c1ccccc1 ZINC000026570899 569242642 /nfs/dbraw/zinc/24/26/42/569242642.db2.gz KGICHBLSYNZKLD-WDEXKZMJSA-N 0 0 446.719 8.446 40 0 IKABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1Cl ZINC000028206942 569242772 /nfs/dbraw/zinc/24/27/72/569242772.db2.gz IEZKVPNQGLSJJY-INIZCTEOSA-N 0 0 440.952 5.041 40 0 IKABRN Cc1ccc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 ZINC000028208695 569242784 /nfs/dbraw/zinc/24/27/84/569242784.db2.gz UTUBOCLPBODPEP-UHFFFAOYSA-N 0 0 448.588 5.016 40 0 IKABRN Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c(C)c1 ZINC000028207129 569242806 /nfs/dbraw/zinc/24/28/06/569242806.db2.gz LDYOHJMQSLVLFC-IBGZPJMESA-N 0 0 434.561 5.004 40 0 IKABRN CCCN(c1ccc2sc(C(=O)N(CC)CC)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209331 569242962 /nfs/dbraw/zinc/24/29/62/569242962.db2.gz PLCDMNNRXDYQFS-UHFFFAOYSA-N 0 0 444.622 5.297 40 0 IKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2-c2ccccc2)c1 ZINC000032686165 569243563 /nfs/dbraw/zinc/24/35/63/569243563.db2.gz LXFZOCPTFCOZLC-UHFFFAOYSA-N 0 0 448.979 5.935 40 0 IKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccccc1 ZINC000032685799 569243574 /nfs/dbraw/zinc/24/35/74/569243574.db2.gz ZNQIQAJODMKBJR-UHFFFAOYSA-N 0 0 442.588 5.844 40 0 IKABRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000033374588 569243657 /nfs/dbraw/zinc/24/36/57/569243657.db2.gz RSLKMCPUBNHCOC-UHFFFAOYSA-N 0 0 449.765 7.149 40 0 IKABRN COc1cc(CNc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 ZINC000033370797 569243714 /nfs/dbraw/zinc/24/37/14/569243714.db2.gz GNUAAOJRHJIPIE-UHFFFAOYSA-N 0 0 432.745 6.302 40 0 IKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000033386996 569243745 /nfs/dbraw/zinc/24/37/45/569243745.db2.gz JEMOWZDLWVFPQG-UHFFFAOYSA-N 0 0 445.346 6.022 40 0 IKABRN CCOC(=O)Cn1c(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)c1-c1ccccc1 ZINC000033382545 569243748 /nfs/dbraw/zinc/24/37/48/569243748.db2.gz SUKQACOQGCOPQD-UHFFFAOYSA-N 0 0 426.472 5.176 40 0 IKABRN Cc1ccc(CSc2nnc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)cc1 ZINC000033403974 569243882 /nfs/dbraw/zinc/24/38/82/569243882.db2.gz LZNXQKDRPBTFRK-IBGZPJMESA-N 0 0 428.989 5.196 40 0 IKABRN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000033401723 569243896 /nfs/dbraw/zinc/24/38/96/569243896.db2.gz YBFUENXBWWWAAP-UHFFFAOYSA-N 0 0 447.962 6.658 40 0 IKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc4c5c(cccc53)CC4)o2)cc1C ZINC000033397850 569243908 /nfs/dbraw/zinc/24/39/08/569243908.db2.gz CCEOREOVEJDTFY-UHFFFAOYSA-N 0 0 426.541 5.942 40 0 IKABRN COc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2)cc1OCc1ccccc1 ZINC000033482021 569244210 /nfs/dbraw/zinc/24/42/10/569244210.db2.gz MJGNKWVUZWMLEZ-UHFFFAOYSA-N 0 0 446.728 5.942 40 0 IKABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 ZINC000033546430 569244395 /nfs/dbraw/zinc/24/43/95/569244395.db2.gz KCPOZESQGUYETK-UHFFFAOYSA-N 0 0 430.017 5.755 40 0 IKABRN CC(C)N(C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(C)C ZINC000033556278 569244470 /nfs/dbraw/zinc/24/44/70/569244470.db2.gz IEGPLMBNCDZNLQ-UHFFFAOYSA-N 0 0 440.616 6.779 40 0 IKABRN S=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000033558118 569244546 /nfs/dbraw/zinc/24/45/46/569244546.db2.gz RHOGZAPXQJGWTI-UHFFFAOYSA-N 0 0 437.008 5.412 40 0 IKABRN Cn1c(SCc2ccc(Br)cc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000033560806 569244559 /nfs/dbraw/zinc/24/45/59/569244559.db2.gz YUSXFMRXBCJZJG-UHFFFAOYSA-N 0 0 434.746 5.937 40 0 IKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(Cl)c1N1CCCC1 ZINC000033562455 569244589 /nfs/dbraw/zinc/24/45/89/569244589.db2.gz UTAKRTHHZFCCFY-UHFFFAOYSA-N 0 0 439.968 5.229 40 0 IKABRN C/C=C\c1ccccc1Oc1ccc(C(=O)c2ccc(Oc3ccccc3/C=C\C)cc2)cc1 ZINC000033579211 569244715 /nfs/dbraw/zinc/24/47/15/569244715.db2.gz JRZSSQRNBKDVDD-UIYSNZQUSA-N 0 0 446.546 8.568 40 0 IKABRN Cc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000033581038 569244725 /nfs/dbraw/zinc/24/47/25/569244725.db2.gz NCULKBITEPIIBY-UZLBHIALSA-N 0 0 432.948 5.086 40 0 IKABRN Cc1cc(Br)ccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000033600220 569244855 /nfs/dbraw/zinc/24/48/55/569244855.db2.gz FUGNXHIOIFXOIK-UHFFFAOYSA-N 0 0 425.109 6.577 40 0 IKABRN COc1c(Br)cc(C(=O)Nc2ccccc2F)cc1OCc1ccccc1 ZINC000033608347 569244862 /nfs/dbraw/zinc/24/48/62/569244862.db2.gz RZSKJQCOWAMDJS-UHFFFAOYSA-N 0 0 430.273 5.428 40 0 IKABRN Cc1ccc(C)c(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)c1 ZINC000033618044 569244966 /nfs/dbraw/zinc/24/49/66/569244966.db2.gz VVRRARNPUAEJLS-UHFFFAOYSA-N 0 0 429.347 6.240 40 0 IKABRN O=C(NC(=S)Nc1c(O)ccc2ccccc21)c1sc2cc(Cl)ccc2c1Cl ZINC000033612454 569244999 /nfs/dbraw/zinc/24/49/99/569244999.db2.gz QGYLBDYKAJMREO-UHFFFAOYSA-N 0 0 447.368 6.194 40 0 IKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc32)ccc1C ZINC000033629362 569245089 /nfs/dbraw/zinc/24/50/89/569245089.db2.gz XREOPNRWOKBUHI-UHFFFAOYSA-N 0 0 430.529 5.510 40 0 IKABRN CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000033632660 569245263 /nfs/dbraw/zinc/24/52/63/569245263.db2.gz FUCRZRBCVISSBV-SFHVURJKSA-N 0 0 439.339 5.042 40 0 IKABRN CCOc1cc(C(=O)NCc2cccc3ccccc32)cc(Br)c1OCC ZINC000033663846 569245578 /nfs/dbraw/zinc/24/55/78/569245578.db2.gz IDWAQCOTLVKTBU-UHFFFAOYSA-N 0 0 428.326 5.330 40 0 IKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033684622 569245710 /nfs/dbraw/zinc/24/57/10/569245710.db2.gz VQBFONZNNIRQJD-UHFFFAOYSA-N 0 0 428.891 5.507 40 0 IKABRN COc1c(Br)cc(C(=O)Nc2ccc(F)cc2)cc1OCc1ccccc1 ZINC000033685056 569245733 /nfs/dbraw/zinc/24/57/33/569245733.db2.gz HXSHGELIFZJOEJ-UHFFFAOYSA-N 0 0 430.273 5.428 40 0 IKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3n2)cc1 ZINC000033680588 569245742 /nfs/dbraw/zinc/24/57/42/569245742.db2.gz FHSJKSOMCRZDJR-UHFFFAOYSA-N 0 0 438.487 5.558 40 0 IKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)cc1 ZINC000033709419 569245969 /nfs/dbraw/zinc/24/59/69/569245969.db2.gz ZUUDNFBUHCEQEL-UHFFFAOYSA-N 0 0 448.563 5.730 40 0 IKABRN Cc1ccc(CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)cc1 ZINC000033714052 569245991 /nfs/dbraw/zinc/24/59/91/569245991.db2.gz TVRJREHFLFHIEK-ZDUSSCGKSA-N 0 0 435.380 5.214 40 0 IKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)c1 ZINC000033717971 569246101 /nfs/dbraw/zinc/24/61/01/569246101.db2.gz YDOCMCWKCKQJCT-UHFFFAOYSA-N 0 0 428.941 5.318 40 0 IKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000033733195 569246230 /nfs/dbraw/zinc/24/62/30/569246230.db2.gz UFUBMRWBAWIVLG-CQSZACIVSA-N 0 0 449.407 5.697 40 0 IKABRN CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000033729759 569246270 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ZINC000260755844 569281490 /nfs/dbraw/zinc/28/14/90/569281490.db2.gz BYRAPEAMPMXCSZ-CAYVGHNUSA-N 0 0 440.366 5.693 40 0 IKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000260755982 569281520 /nfs/dbraw/zinc/28/15/20/569281520.db2.gz CQDVXTDWHGFQRT-OITMNORJSA-N 0 0 430.360 6.238 40 0 IKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4cccc(Cl)c4Cl)o3)N21 ZINC000260762906 569281630 /nfs/dbraw/zinc/28/16/30/569281630.db2.gz HVDXZQGETAPWNK-PZVFOTJXSA-N 0 0 444.387 6.628 40 0 IKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccc(Cl)cc3)cc2)S1 ZINC000260771984 569281635 /nfs/dbraw/zinc/28/16/35/569281635.db2.gz MCODFFANQSAFPS-KBJGYGKASA-N 0 0 438.021 6.476 40 0 IKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3cccc(C(F)(F)F)c3)N21 ZINC000260766350 569281638 /nfs/dbraw/zinc/28/16/38/569281638.db2.gz JRSPQRWYQMMQSH-CZAAIQMYSA-N 0 0 442.510 5.871 40 0 IKABRN CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1Br ZINC000260769292 569281651 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FC(F)(F)c1cc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)ccc1Cl ZINC000328974218 569285108 /nfs/dbraw/zinc/28/51/08/569285108.db2.gz FECIOPSDTWWIHJ-UHFFFAOYSA-N 0 0 447.892 5.543 40 0 IKABRN Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328975648 569285111 /nfs/dbraw/zinc/28/51/11/569285111.db2.gz FLLMSPFOZLESRQ-FQEVSTJZSA-N 0 0 441.373 5.387 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2cc(F)ccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328979610 569285131 /nfs/dbraw/zinc/28/51/31/569285131.db2.gz GHTLZHNOBRCFAW-LBPRGKRZSA-N 0 0 438.400 5.118 40 0 IKABRN CC[C@@H](C)Nc1nc(Nc2cc(F)ccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328979609 569285149 /nfs/dbraw/zinc/28/51/49/569285149.db2.gz GHTLZHNOBRCFAW-GFCCVEGCSA-N 0 0 438.400 5.118 40 0 IKABRN CC[C@@H](C)Nc1nc(Nc2c(F)cccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328975978 569285157 /nfs/dbraw/zinc/28/51/57/569285157.db2.gz FMUDDVHNKINMDG-GFCCVEGCSA-N 0 0 438.400 5.118 40 0 IKABRN COc1cc2c(cc1OC)CN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)n1)CC2 ZINC000328972606 569285171 /nfs/dbraw/zinc/28/51/71/569285171.db2.gz DVTAEAPHGQKQRS-UHFFFAOYSA-N 0 0 436.943 5.331 40 0 IKABRN COc1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)cc1C(F)(F)F ZINC000328989025 569285230 /nfs/dbraw/zinc/28/52/30/569285230.db2.gz IHYWTWLWGNBRBU-UHFFFAOYSA-N 0 0 442.485 5.503 40 0 IKABRN CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000329000015 569285249 /nfs/dbraw/zinc/28/52/49/569285249.db2.gz JYLLWVLATMDJNE-UHFFFAOYSA-N 0 0 448.876 5.897 40 0 IKABRN CCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328987039 569285306 /nfs/dbraw/zinc/28/53/06/569285306.db2.gz IADZUNIEJTUVSH-UHFFFAOYSA-N 0 0 443.256 5.368 40 0 IKABRN FC(F)(F)c1cc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)ccc1Cl ZINC000328995843 569285313 /nfs/dbraw/zinc/28/53/13/569285313.db2.gz JIPQXUKWDABNOO-UHFFFAOYSA-N 0 0 446.904 6.148 40 0 IKABRN FC(F)(F)Oc1ccc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)cc1Cl ZINC000329024533 569285349 /nfs/dbraw/zinc/28/53/49/569285349.db2.gz PAMNKNHYCCCXAJ-UHFFFAOYSA-N 0 0 426.870 5.238 40 0 IKABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000329029688 569285396 /nfs/dbraw/zinc/28/53/96/569285396.db2.gz QAGJBSKJKHXFOU-UHFFFAOYSA-N 0 0 426.486 5.803 40 0 IKABRN FC(F)(F)Sc1cccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1 ZINC000329028534 569285427 /nfs/dbraw/zinc/28/54/27/569285427.db2.gz PVKWOHGHEPZNBR-UHFFFAOYSA-N 0 0 445.514 5.483 40 0 IKABRN FC(F)(F)Oc1ccc2c(c1)CN(c1cc(Nc3ccccc3)nc(C3CC3)n1)CC2 ZINC000329028004 569285431 /nfs/dbraw/zinc/28/54/31/569285431.db2.gz PTTADANPUGCIHV-UHFFFAOYSA-N 0 0 426.442 5.559 40 0 IKABRN CCc1cc(N2CCc3ccc(Br)cc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000329014395 569285444 /nfs/dbraw/zinc/28/54/44/569285444.db2.gz MVWILIBTXPTFFM-UHFFFAOYSA-N 0 0 443.776 5.761 40 0 IKABRN FC(F)(F)Sc1cccc(Nc2cc(-c3ccccc3)nc(NC3CCCC3)n2)c1 ZINC000329044233 569285549 /nfs/dbraw/zinc/28/55/49/569285549.db2.gz SVJWESYXQOJHIC-UHFFFAOYSA-N 0 0 430.499 5.697 40 0 IKABRN COC(=O)c1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)n1)C2 ZINC000329040182 569285551 /nfs/dbraw/zinc/28/55/51/569285551.db2.gz SBBBQIZCFLGBJE-UHFFFAOYSA-N 0 0 434.927 5.100 40 0 IKABRN CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329062250 569285562 /nfs/dbraw/zinc/28/55/62/569285562.db2.gz WWBOWQQVRXAEKW-UHFFFAOYSA-N 0 0 443.256 5.368 40 0 IKABRN FC(F)(F)c1cccc(Cl)c1Nc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000329047877 569285563 /nfs/dbraw/zinc/28/55/63/569285563.db2.gz UHZSWFNZSCRMTN-UHFFFAOYSA-N 0 0 447.892 5.543 40 0 IKABRN CC[C@H](C)Nc1nc(Nc2ccccc2SC)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329066340 569285579 /nfs/dbraw/zinc/28/55/79/569285579.db2.gz YAFNLQZUUHRSNZ-AWEZNQCLSA-N 0 0 448.514 5.562 40 0 IKABRN COC(=O)c1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C(C)C)n1)C2 ZINC000329040272 569285592 /nfs/dbraw/zinc/28/55/92/569285592.db2.gz SCFBGXOKUCJVEZ-UHFFFAOYSA-N 0 0 436.943 5.346 40 0 IKABRN Cc1cc(Br)cc(C)c1Nc1cc(C(F)(F)F)nc(NC2CCCCC2)n1 ZINC000329071296 569285656 /nfs/dbraw/zinc/28/56/56/569285656.db2.gz ZONFNFFLLCIAQX-UHFFFAOYSA-N 0 0 443.311 5.207 40 0 IKABRN Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)Nc2ccc(O)cc2)cc1 ZINC000062715909 569288637 /nfs/dbraw/zinc/28/86/37/569288637.db2.gz PCKDJJANMXFRKD-AWNIVKPZSA-N 0 0 438.321 5.694 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253497750 569289079 /nfs/dbraw/zinc/28/90/79/569289079.db2.gz AHQGBTJUQBJWCN-ZHKDXRFSSA-N 0 0 436.592 6.107 40 0 IKABRN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253497747 569289137 /nfs/dbraw/zinc/28/91/37/569289137.db2.gz AHQGBTJUQBJWCN-VZGUYQAJSA-N 0 0 436.592 6.107 40 0 IKABRN CC(C)c1ccc(/C=C/[C@@]23N(Cc4ccccc4)C(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000008781212 569290625 /nfs/dbraw/zinc/29/06/25/569290625.db2.gz DAUHQFMSTJQIAD-FJHZZIEGSA-N 0 0 436.599 6.360 40 0 IKABRN CC(C)COc1cccc(-c2nc3sc(-c4cccc(OCC(C)C)c4)nc3s2)c1 ZINC000008893358 569292104 /nfs/dbraw/zinc/29/21/04/569292104.db2.gz BVERSWGVYXWIEP-UHFFFAOYSA-N 0 0 438.618 7.156 40 0 IKABRN Clc1ccc(-c2c(CN3CCOCC3)n3nc(-c4ccccc4)n4c3c2CCCC4)cc1 ZINC000027752615 569296593 /nfs/dbraw/zinc/29/65/93/569296593.db2.gz JTNUNIRXXHWMOC-UHFFFAOYSA-N 0 0 446.982 5.292 40 0 IKABRN O=C(Nc1ccccc1Nc1nc(-c2ccccc2)cn1-c1ccccc1)c1ccccc1 ZINC000027753500 569296637 /nfs/dbraw/zinc/29/66/37/569296637.db2.gz YXMLVAGYYJHZDY-UHFFFAOYSA-N 0 0 430.511 6.535 40 0 IKABRN Fc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C[C@H]2CCCO2)cc1 ZINC000009535600 569297166 /nfs/dbraw/zinc/29/71/66/569297166.db2.gz NGRCSTAPSMPTQR-MRXNPFEDSA-N 0 0 438.355 5.862 40 0 IKABRN Fc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2C[C@H]2CCCO2)cc1 ZINC000009535707 569297177 /nfs/dbraw/zinc/29/71/77/569297177.db2.gz QDOBMDCHRTZPQO-GOSISDBHSA-N 0 0 448.361 5.318 40 0 IKABRN Fc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C[C@@H]2CCCO2)cc1 ZINC000009535595 569297217 /nfs/dbraw/zinc/29/72/17/569297217.db2.gz NGRCSTAPSMPTQR-INIZCTEOSA-N 0 0 438.355 5.862 40 0 IKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1ccccc1)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000011024904 569301853 /nfs/dbraw/zinc/30/18/53/569301853.db2.gz CFNNBDMQWZZTNH-ZQUCTSJQSA-N 0 0 449.616 8.161 40 0 IKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000070664508 569315197 /nfs/dbraw/zinc/31/51/97/569315197.db2.gz KEOLCBLQBIWDBI-NZNBMRQTSA-N 0 0 446.672 5.155 40 0 biogenic IKABRN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1nn(Cc2c(F)cccc2Cl)cc1Br ZINC000019632557 569324469 /nfs/dbraw/zinc/32/44/69/569324469.db2.gz LFXJNFCJVQGAAZ-YNEHKIRRSA-N 0 0 440.744 5.251 40 0 IKABRN CCN(C(=O)CCc1ccc(Cl)cc1)[C@H]1CCO[C@@H](c2cccc(-c3cncnc3)c2)C1 ZINC000019712013 569327644 /nfs/dbraw/zinc/32/76/44/569327644.db2.gz MEGYPIVOBZIJBY-LOSJGSFVSA-N 0 0 449.982 5.498 40 0 IKABRN Cc1nc([C@H]2CCCCN2Cc2ccccc2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019743132 569328257 /nfs/dbraw/zinc/32/82/57/569328257.db2.gz GOUMBYQNGJIBLL-RUZDIDTESA-N 0 0 440.591 5.034 40 0 IKABRN Cc1cccc(-c2sc(=S)n3c2n(Cc2ccc(Cl)cc2)c(=O)c2ccccc23)c1 ZINC000020378638 569362541 /nfs/dbraw/zinc/36/25/41/569362541.db2.gz IIXSHYJFGDPZAV-UHFFFAOYSA-N 0 0 449.000 6.722 40 0 IKABRN Cc1ccccc1-c1sc(=S)n2c1n(Cc1ccccc1Cl)c(=O)c1ccccc12 ZINC000020378752 569362562 /nfs/dbraw/zinc/36/25/62/569362562.db2.gz IRJQVURAHMYYQE-UHFFFAOYSA-N 0 0 449.000 6.722 40 0 IKABRN COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1F ZINC000096308059 569392275 /nfs/dbraw/zinc/39/22/75/569392275.db2.gz XPXNYVIJJBIUGN-UHFFFAOYSA-N 0 0 427.273 5.719 40 0 IKABRN O=C(c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CCCCCC1 ZINC000002474674 569404406 /nfs/dbraw/zinc/40/44/06/569404406.db2.gz NNYZHYNXLTWYPL-GJZGRUSLSA-N 0 0 426.870 5.213 40 0 IKABRN Cc1ccc(C(=O)c2c(-c3ccccc3)cc(-c3ccc(C)cc3)c3c2C(=O)CCC3)cc1 ZINC000002557645 569409374 /nfs/dbraw/zinc/40/93/74/569409374.db2.gz GKWPNGMNPOSKEG-UHFFFAOYSA-N 0 0 430.547 7.387 40 0 IKABRN COC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc(C)c1-c1ccc(F)cc1 ZINC000028284472 569409571 /nfs/dbraw/zinc/40/95/71/569409571.db2.gz IRMNECVJOJIKBF-UHFFFAOYSA-N 0 0 441.524 5.790 40 0 IKABRN COc1ccc(-n2nnnc2-c2cnc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000002573738 569409876 /nfs/dbraw/zinc/40/98/76/569409876.db2.gz XYAPDELXHGGGGE-UHFFFAOYSA-N 0 0 440.894 5.115 40 0 IKABRN COc1ccc(-c2c3cc(Cl)cc(Cl)c3oc(=O)c2-c2cc(O)cc(O)c2)cc1 ZINC000002573870 569409929 /nfs/dbraw/zinc/40/99/29/569409929.db2.gz ZLSOMSXALVEBRU-UHFFFAOYSA-N 0 0 429.255 5.854 40 0 IKABRN COc1ccc(Cc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)no2)cc1 ZINC000028527244 569410558 /nfs/dbraw/zinc/41/05/58/569410558.db2.gz ZYNPOOFIGCOYML-UHFFFAOYSA-N 0 0 431.517 5.126 40 0 IKABRN CCOc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)cc1 ZINC000028527860 569410683 /nfs/dbraw/zinc/41/06/83/569410683.db2.gz KJFYTHDCUIDXFQ-UHFFFAOYSA-N 0 0 439.947 5.295 40 0 IKABRN Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1C(=O)c1ccc(F)cc1 ZINC000028535413 569410910 /nfs/dbraw/zinc/41/09/10/569410910.db2.gz KWWXPNRINWPGLD-UHFFFAOYSA-N 0 0 441.384 5.322 40 0 IKABRN Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Br)cc3)c3ccccc32)cc1 ZINC000028535151 569410939 /nfs/dbraw/zinc/41/09/39/569410939.db2.gz DZHYPDJHDOPELS-UHFFFAOYSA-N 0 0 448.320 5.235 40 0 IKABRN CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2Cl)cc1 ZINC000028534855 569410952 /nfs/dbraw/zinc/41/09/52/569410952.db2.gz QUDKZYMMSMCGBQ-UHFFFAOYSA-N 0 0 439.947 5.295 40 0 IKABRN C[C@@H]1CCN(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c2ccccc2S1 ZINC000028616821 569414745 /nfs/dbraw/zinc/41/47/45/569414745.db2.gz GWCDACMFQCSPLI-GFCCVEGCSA-N 0 0 434.348 5.233 40 0 IKABRN Cc1cccc(-c2sc(=S)n3c2n(Cc2ccccc2C)c(=O)c2ccccc23)c1 ZINC000002693334 569417175 /nfs/dbraw/zinc/41/71/75/569417175.db2.gz AEGRVKKPHDRQMG-UHFFFAOYSA-N 0 0 428.582 6.377 40 0 IKABRN COc1ccc(OCCOc2ccccc2Cl)c(/C=C2\N=C(c3ccccc3)OC2=O)c1 ZINC000002815628 569423051 /nfs/dbraw/zinc/42/30/51/569423051.db2.gz VCBKHFHVYXWDRD-PGMHBOJBSA-N 0 0 449.890 5.151 40 0 IKABRN COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002889719 569424341 /nfs/dbraw/zinc/42/43/41/569424341.db2.gz HLCLUWUSMZLEJD-UHFFFAOYSA-N 0 0 436.316 5.769 40 0 IKABRN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002889716 569424351 /nfs/dbraw/zinc/42/43/51/569424351.db2.gz ABTJLPORCHACSS-UHFFFAOYSA-N 0 0 440.735 6.414 40 0 IKABRN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002889724 569424374 /nfs/dbraw/zinc/42/43/74/569424374.db2.gz FYAZRRKXNJHBNL-UHFFFAOYSA-N 0 0 447.943 6.774 40 0 IKABRN CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccccc2)c2ccccc12 ZINC000003009780 569435257 /nfs/dbraw/zinc/43/52/57/569435257.db2.gz HOCQLGQGZQWMAP-PLRJNAJWSA-N 0 0 436.511 5.648 40 0 IKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1Br ZINC000003025390 569436302 /nfs/dbraw/zinc/43/63/02/569436302.db2.gz PLFQYVUKDACQGS-UHFFFAOYSA-N 0 0 441.712 6.471 40 0 IKABRN Cc1ccc(C(=O)N[C@@H](Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003109649 569440345 /nfs/dbraw/zinc/44/03/45/569440345.db2.gz SFWCQZXGVHPSJQ-OAHLLOKOSA-N 0 0 436.564 5.296 40 0 IKABRN CCCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000003146849 569440887 /nfs/dbraw/zinc/44/08/87/569440887.db2.gz NIFSJXVZMQZQRL-JKURPRQGSA-N 0 0 437.539 5.718 40 0 IKABRN CCN(CC)c1nc(Nc2ccc(Br)cc2)nc(Nc2cc(C)ccc2C)n1 ZINC000003184622 569441356 /nfs/dbraw/zinc/44/13/56/569441356.db2.gz UEZDLLXHNVPQTC-UHFFFAOYSA-N 0 0 441.377 5.584 40 0 IKABRN CCOc1ccc(C(=O)c2cc(Cl)c(C(=O)c3ccc(OCC)cc3)cc2Cl)cc1 ZINC000003210988 569441722 /nfs/dbraw/zinc/44/17/22/569441722.db2.gz IVIHRCUQKACOBQ-UHFFFAOYSA-N 0 0 443.326 6.253 40 0 IKABRN CCCCCC1CCC(C(=O)Nc2nnc(-c3ccccc3Br)s2)CC1 ZINC000003208352 569441739 /nfs/dbraw/zinc/44/17/39/569441739.db2.gz KJEFVRUFCVQBQV-UHFFFAOYSA-N 0 0 436.419 6.293 40 0 IKABRN O=C(NCCSc1ccc(Cl)cc1)N(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000003468025 569452009 /nfs/dbraw/zinc/45/20/09/569452009.db2.gz OHXGJLRAQKEYTG-UHFFFAOYSA-N 0 0 446.981 5.037 40 0 IKABRN C[C@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@]1(C)C[C@H](Cc1ccncc1)[C@H]2O ZINC000242722993 569462158 /nfs/dbraw/zinc/46/21/58/569462158.db2.gz YAVJNCRQEPHRIC-RGLPTZQCSA-N 0 0 439.684 6.175 40 0 IKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(I)cc1 ZINC000390039477 569531078 /nfs/dbraw/zinc/53/10/78/569531078.db2.gz JGTVXSKWNMYRAS-UHFFFAOYSA-N 0 0 431.298 5.695 40 0 IKABRN O=[S@](Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1Br ZINC000390822571 569533455 /nfs/dbraw/zinc/53/34/55/569533455.db2.gz CYFQONPEXLWMDW-DEOSSOPVSA-N 0 0 432.183 5.621 40 0 IKABRN Cc1cc([C@@]2(c3cc(C(C)C)c(O)cc3C)OC(=O)c3ccccc32)c(C(C)C)cc1O ZINC000390822326 569533412 /nfs/dbraw/zinc/53/34/12/569533412.db2.gz GRBHJPCWQRVGND-MUUNZHRXSA-N 0 0 430.544 6.424 40 0 IKABRN COc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)nc2cc1Cl ZINC000032127210 569584434 /nfs/dbraw/zinc/58/44/34/569584434.db2.gz KXIHFCITTJXRDB-UHFFFAOYSA-N 0 0 446.768 5.392 40 0 IKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccc(Cl)cc3)nc(NC3CCCC3)n2)c1 ZINC000329064455 569582917 /nfs/dbraw/zinc/58/29/17/569582917.db2.gz XKEHMCRMILBNFP-UHFFFAOYSA-N 0 0 448.876 6.794 40 0 IKABRN CC(C)(C)Nc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329071341 569582928 /nfs/dbraw/zinc/58/29/28/569582928.db2.gz ZOWHMZPEAQHVKZ-UHFFFAOYSA-N 0 0 430.474 5.907 40 0 IKABRN FC(F)(F)Oc1ccc(Nc2cc(Cl)nc(-c3ccccn3)n2)cc1Br ZINC000329051443 569582967 /nfs/dbraw/zinc/58/29/67/569582967.db2.gz UXJHCJDUWSOBRL-UHFFFAOYSA-N 0 0 445.626 5.597 40 0 IKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)n1 ZINC000329037083 569583003 /nfs/dbraw/zinc/58/30/03/569583003.db2.gz RLYAKHXLLTUBGJ-UHFFFAOYSA-N 0 0 429.284 6.089 40 0 IKABRN Fc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1 ZINC000329042016 569583014 /nfs/dbraw/zinc/58/30/14/569583014.db2.gz SMOZISIGWBOXCE-UHFFFAOYSA-N 0 0 432.421 6.279 40 0 IKABRN Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000329012091 569583140 /nfs/dbraw/zinc/58/31/40/569583140.db2.gz MIZQXBICXAWFFU-UHFFFAOYSA-N 0 0 437.385 6.703 40 0 IKABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccn2)nc(NC(C)(C)C)n1 ZINC000328962924 569583186 /nfs/dbraw/zinc/58/31/86/569583186.db2.gz BKSOQKLYRMLFRJ-UHFFFAOYSA-N 0 0 426.362 5.872 40 0 IKABRN CC(C)[C@H](CO)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328979553 569583382 /nfs/dbraw/zinc/58/33/82/569583382.db2.gz GGAPCARBTPGNDO-IBGZPJMESA-N 0 0 448.514 5.928 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(Br)c3)sc2c1 ZINC000032118847 569583688 /nfs/dbraw/zinc/58/36/88/569583688.db2.gz FPKNIHGRSNAWOX-UHFFFAOYSA-N 0 0 448.411 5.528 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000032119024 569583700 /nfs/dbraw/zinc/58/37/00/569583700.db2.gz JXSDQHJVEQTJKL-UHFFFAOYSA-N 0 0 438.405 6.073 40 0 IKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cc4ccccc4cc3OC)sc2c1 ZINC000032118950 569583708 /nfs/dbraw/zinc/58/37/08/569583708.db2.gz BSGBSCTWOKRIJL-UHFFFAOYSA-N 0 0 449.601 5.928 40 0 IKABRN Cc1cc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)ccc1Br ZINC000329052678 569583982 /nfs/dbraw/zinc/58/39/82/569583982.db2.gz VEHJSUJGBJTARS-UHFFFAOYSA-N 0 0 437.385 6.703 40 0 IKABRN Cc1cc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)ccc1Br ZINC000328963757 569584007 /nfs/dbraw/zinc/58/40/07/569584007.db2.gz BQKOFXGJRAONOP-UHFFFAOYSA-N 0 0 438.373 6.098 40 0 IKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000328970381 569584041 /nfs/dbraw/zinc/58/40/41/569584041.db2.gz DKLUXCYUQYPXKJ-UHFFFAOYSA-N 0 0 443.473 6.234 40 0 IKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(C(F)(F)F)nc(NC2CCCCC2)n1 ZINC000329053348 569584063 /nfs/dbraw/zinc/58/40/63/569584063.db2.gz VFYPVKRYMRNSKE-UHFFFAOYSA-N 0 0 434.384 6.191 40 0 IKABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3c(s2)c(C)ccc3C)cc1Cl ZINC000019631352 569584159 /nfs/dbraw/zinc/58/41/59/569584159.db2.gz ZWAKTTJBUGZYRR-UHFFFAOYSA-N 0 0 440.377 5.355 40 0 IKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1 ZINC000328960402 569584260 /nfs/dbraw/zinc/58/42/60/569584260.db2.gz AXDNDCOEXYEXRA-UHFFFAOYSA-N 0 0 442.485 6.839 40 0 IKABRN COc1cc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)c(Cl)cc1Cl ZINC000328977900 569584320 /nfs/dbraw/zinc/58/43/20/569584320.db2.gz FWVNLENPGFNGNP-UHFFFAOYSA-N 0 0 448.659 6.875 40 0 IKABRN Cc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)(C)C)n1 ZINC000329004370 569584441 /nfs/dbraw/zinc/58/44/41/569584441.db2.gz KRXHHMKYOSRYJE-UHFFFAOYSA-N 0 0 430.474 6.613 40 0 IKABRN COc1ccc(Br)c2c1-c1nc(Nc3cccc4ccccc43)sc1CC2 ZINC000408895113 569584461 /nfs/dbraw/zinc/58/44/61/569584461.db2.gz TVJOQKQNMYGFTC-UHFFFAOYSA-N 0 0 437.362 6.577 40 0 IKABRN COc1ccc(C(F)(F)F)cc1Nc1cc(Cl)nc(-c2cccc(C(F)(F)F)c2)n1 ZINC000329008550 569584481 /nfs/dbraw/zinc/58/44/81/569584481.db2.gz LSZXZFZLQIMAQV-UHFFFAOYSA-N 0 0 447.766 6.587 40 0 IKABRN CCOc1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000032126895 569584531 /nfs/dbraw/zinc/58/45/31/569584531.db2.gz CVXFPPKPTGUNQM-UHFFFAOYSA-N 0 0 426.350 5.129 40 0 IKABRN COc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)c1 ZINC000328965950 569584771 /nfs/dbraw/zinc/58/47/71/569584771.db2.gz CHDNAFBNXBSFNJ-UHFFFAOYSA-N 0 0 446.473 5.873 40 0 IKABRN CSc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)(C)C)n1 ZINC000329012056 569584975 /nfs/dbraw/zinc/58/49/75/569584975.db2.gz MIDOFMRRSGLDEP-UHFFFAOYSA-N 0 0 448.514 6.718 40 0 IKABRN